441
Views
3
CrossRef citations to date
0
Altmetric
Review Articles

Small molecule crystallography past, present, and future: a career long review of chemical crystallography

Pages 250-279 | Received 19 Apr 2016, Accepted 06 Jun 2016, Published online: 03 Jul 2016

References

  • Happe JA, Martin DS Jr. Some isotopic exchange reactions of manganese, United States Atomic Energy Commission [Unclassified and Declassified Reports Published by the Atomic Energy Commission and Its Contractors] 1955;ISC-566: 37 pp.
  • Cilindro LG, Martin DS. Neutron activation analysis for iridium, palladium, and silver in platinum. J Radioanal Chem. 1969;3:195–204. doi: 10.1007/BF02513713
  • Bonte JL, Martin DS. Szlard-Chalmers and thermal annealing processes in D-tris(ethylenediamine)cobalt(III) nitrate. J Inorg Nucl Chem. 1977;39(9):1481–1486. doi: 10.1016/0022-1902(77)80085-7
  • Grantham LF, Elleman TS, Martin DS Jr. Exchange of chlorine in aqueous systems containing chloride and tetrachloroplatinate(II). J Am Chem Soc. 1955;77:2965–2971. doi: 10.1021/ja01616a010
  • Martin DS Jr. Anomalies in ligand exchange reactions for platinum(II) complexes. Inorg Chim Acta, Rev. 1967;1:87–97. doi: 10.1016/0073-8085(67)80022-6
  • Kassman AJ, Martin DS Jr. Homogeneous exchange of iodine with methyl iodide in the singlepulse shock tube. J Am Chem Soc. 1969;91(23):6237–6240. doi: 10.1021/ja01051a007
  • Pardini SP, Martin DS. Kinetics of the reaction between methane and iodine from 830 to 1150 K in the presence and absence of oxygen. Int J Chem Kinet. 1983;15(10):1031–1043. doi: 10.1002/kin.550151007
  • Martin DS Jr. Electronic crystal spectra for coordination complexes of platinum(II). Inorg Chim Acta, Rev. 1971;5:107–125. doi: 10.1016/0073-8085(71)80014-1
  • Martin DS Jr. Optical properties of linear chain haloamine platinum complexes Ext. Linear Chain Comp. 1982;1:409–451.
  • Fenske RF, Martin DS Jr, Ruedenberg K. Ligand-field theory of square-planar platinum(II) complexes. Inorg Chem. 1962;1:441–452. doi: 10.1021/ic50003a001
  • Martin DS Jr, Lenhardt CA. The vibronic absorption spectrum and dichroism of potassium tetrachloroplatinate(II). Inorg Chem. 1964;3(10):1368–1373. doi: 10.1021/ic50020a006
  • Martin DS Jr, Tucker MA, Kassman AJ. The absorption spectrum and dichroism of potassium tetrachloroplatinate(II) crystals. II Inorg Chem. 1965;4(12):1682–1689. doi: 10.1021/ic50034a002
  • Martin DS Jr, Jacobson RA, Hunter LD, Benson JE. Polarized absorption spectra for single crystals of dichloro(ethylenediamine)platinum(II). Effect of metal-metal interactions. Inorg Chem. 1970;9(5):1276–1278. doi: 10.1021/ic50087a056
  • Rodgers ML, Martin DS. Single-crystal optical absorption spectra for Magnus-type salts of palladium and platinum. Polyhedron. 1987;6(2):225–254. doi: 10.1016/S0277-5387(00)80793-7
  • Martin DS Jr. Evidence for extended interactions between metal atoms from electronic spectra of crystals with square complexes. ACS Symposium Series. 1974;5:254–275.
  • Fanwick PE, Martin DS Jr. Polarized crystal spectra of yellow Cossa’s salt, potassium trichloroammineplatinate(II) monohydrate, and red Cossa’s salt. Inorg Chem. 1973;12(1):24–30. doi: 10.1021/ic50119a007
  • Martin DS Jr, Rush RM, Kroening RF, Fanwick PE. Crystal optics and polarized absorption spectra for tetraammineplatinum(II) tetrachloroplatinate(II), Magnus’ green salt. Inorg Chem. 1973;12(2):301–305. doi: 10.1021/ic50120a011
  • Cotton FA, Martin DS, Fanwick PE, Peters TJ, Webb TR. Electronic spectra of crystals of dimolybdenum tetraformate and the tetrasulfatodimolybdenum(II) ion. J Am Chem Soc. 1976;98(15):4681–4682. doi: 10.1021/ja00431a075
  • Fanwick PE, Martin DS, Cotton FA, Webb TR. Crystal absorption spectra for potassium octachlorodimolybdate(II) dihydrate. Inorg Chem. 1977;16(8):2103–2106. doi: 10.1021/ic50174a057
  • Fanwick PE, Martin DS Jr, Webb TR, Robbins GA, Newman RA. Polarized single-crystal electronic spectra for tripotassium tetrasulfatodimolybdate-3.5-water. Inorg Chem. 1978;17(10):2723–2727. doi: 10.1021/ic50188a007
  • Martin DS Jr, Webb TR, Robbins GA, Fanwick PE. Polarized electronic absorption spectra for dirhodium(II) tetraacetate dihydrate. Inorg Chem. 1979;18(2):475–478. doi: 10.1021/ic50192a061
  • Martin DS, Newman RA, Fanwick PE. Polarized electronic absorption spectra for dimolybdenum(II) tetraacetate. Inorg Chem. 1979;18(9):2511–2520. doi: 10.1021/ic50199a036
  • Martin DS, Newman RA, Fanwick PE. Polarized electronic absorption spectra of tetrakis(-μ-trifluoroacetato)dimolybdenum(II) and tetrakis(μ-trifluoroacetato)bis(pyridine) dimolybdenum(II). Inorg Chem. 1982;21(9):3400–3406. doi: 10.1021/ic00139a026
  • Thomson JJ. Conduction of electricity through gases. 2nd ed. Cambridge: Cambridge University Press; 1906.
  • Wood EA. Crystals and light: an introduction to optical crystallography. New York, NY: Dover; 1977.
  • Main P, Lessinger I, Wolfson MM, et.al. Multan-77. University of York; 1977.
  • Germain G, Main P, Wolfson MM. Acta Cryst. 1971;A27:368–376. doi: 10.1107/S0567739471000822
  • Howell FR, Phillips DC, Rogers D. The probability of x-ray intensities. II. Experimental investigation and the x-ray detection of centres of symmetry. Acta Cryst. 1950;3:210–214. doi: 10.1107/S0365110X50000513
  • Marsh RE. The importance of weak reflections in resolving the centrosymmetric-noncentrosymmetric ambiguity: a cautionary tale. Acta Cryst. 1981;37:1985–1988. doi: 10.1107/S0567740881007826
  • Evans LF, Fanwick PE. The preparation and crystal structure of cis- and trans-potassium tetrachlorodinitroplatinate(IV). Inorg Chim Acta. 1984;85(1):79–82. doi: 10.1016/S0020-1693(00)81030-0
  • Johnson Carroll K. ORTEP: A FORTRAN thermal-ellipsoid plot program for crystal structure illustrations. ONRL Report #3794. Oak Ridge, TN. Oak Ridge National Laboratory; 1965.
  • Busing WR, Martin KO, Levy HA. ORFLS, a Fortran crystallographic least-squares program ORNL-TM-305. Oak Ridge, TN: Oak Ridge National Laboratory; 1962.
  • Busing WR, Martin KO, Levy H. ORFFE, a Fortran crystallographic function and error program ORNL-TM-306. Oak Ridge, TN: Oak Ridge National Laboratory; 1964.
  • Brock CP, Schweizer WB, Dunitz JD. On the validity of Wallach’s rule: On the density and stability of racemic crystals compared with their chiral counterparts. J Am Chem Soc. 1991;113:9811–9820. doi: 10.1021/ja00026a015
  • Spek AL. Structure validation in chemical crystallography. Acta Cryst. 2009;D65(2):148–155.
  • Watkin D. X-ray crystallography. Is the gold standard becoming tarnished? ACA Reflections. 2012;22–25. Available from http://www.amercrystalassn.org/documents/History/Watkins/David_Watkin_Spring2012_RefleXions.pdf
  • Regine R, Strahle J. 2,4,6-Ph3CeH*M (M = CU, Ag), Monomeric Cu′- and Ag′-complexes with coordination number I. Angew Chem Intl Ed. 1988;27:436. doi: 10.1002/anie.198804361
  • Haaland A, Rypdal K, Verne HP. The crystal structures of base-free, monomeric Arylcopper(I) and Arylsilver(I) compounds; two cases of mistaken ientity? Angew Chem Intl Ed. 1995;33:2443–2445. doi: 10.1002/anie.199424431
  • Ogle CA, Masterman TC, Hubard JL. The structure of crystalline trans-dichlorobis(triphenylphosphine)rhodium(II), a square planar rhodium(II) monomer: isolation of the proposed paramagnetic impurity in Wilkinson’s catalyst. J Chem Soc Chem Commun. 1990;1733–1734. doi:doi:10.1039/C39900001733
  • Dunbar KR, Haefner SC. Crystallographic disorder in the orthorhombic form of carbonyl(chlorobis(triphenylphosphine))rhodium: relevance to the reported structure of the paramagnetic impurity in Wilkinson’s catalyst. Inorg Chem. 1992;31:3676–3679. doi: 10.1021/ic00043a033
  • Parkin G. Do bond-stretch isomers really exist? Acc Chem Res. 1992;25(10):455–460. doi: 10.1021/ar00022a004
  • Sheldrick GM. A short history of SHELX. Acta Cryst. 2008;A64(1):112–122. doi: 10.1107/S0108767307043930
  • Sheldrick GM. Crystal structure refinement with SHELXL. Acta Cryst. 2015;C71(1):3–8.
  • IUCr. CIF definition of refln_F_squared_. Available from http://www.iucr.org/_data/cifdic_html/1/cif_core.dic/refln_F_squared_.html
  • Harlow RL. http://www.pitt.edu/~geib/challenge.html
  • Betteridge PW, Carruthers JR, Cooper RI, Prout K, Watkins DJ. CRYSTALS version 12: software for guided crystal structure analysis. J Appl Cryst. 2003;36(6):1487. doi: 10.1107/S0021889803021800
  • Massa W. Crystal structure determination. 2nd ed. Berlin: Engl. Springer; 2004.
  • Sheldrick GM. Shelx FAQ. Available from http://shelx.uniac.gwdg.de/SHELX/faq.php
  • Spek AL. PLATON SQUEEZE: a tool for the calculation of the disordered solvent contribution to the calculated structure factors. Acta Cryst. 2015;C71(1):9–18.
  • Watkins DJ. http://www.xtl.ox.ac.uk/wp-content/uploads/2010/04/BCA2010-DJW.pdf
  • IUCr. Data requirements for structures submitted to Acta Cryst. Sections C and E. Available from http://journals.iucr.org/c/services/cif/reqdata.html
  • Hostetler KJ, Poole JS, Fanwick PE. 4-{[3,5-Bis(methoxycarbonyl)-4,5-dihydro-1H-pyrazol-5-yl]methyl­amino}pyridine 1-oxide monohydrate. Acta Cryst. 2006;E62:o3015–o3016.
  • Lubben J, Volkmann C, Grabowsky A, et al. On the temperature dependence of H-Uiso in the riding hydrogen model. Acta Cryst. 2014;A70:309–316.
  • Walker N, Stuart D. An Empirical Method for Correcting Diffractometer Data for Absorption Effects. Acta Cryst. 1983;A39:158–166. doi: 10.1107/S0108767383000252
  • Farrugia LJ. http://www.chem.gla.ac.uk/∼louis/software/wingx/absorb.html
  • Weil M. On the (non-)existence of Tutton salts with formula types [M(H2O)6](ClO4)2(H2O)2 and Na2M(SO4)2(H2O)6 (M is a first-row transition metal). Acta Cryst. 2013;C69(9):990–994.
  • Hall SR, McMahon B. The implementation and evolution of STAR/CIF ontologies: interoperability and preservation of structured data. Data Sci J. 2016;15. Available from http://datascience.codata.org/articles/10.5334/dsj-2016-003
  • IUCr. http://www.iucr.org/_data/iucr/cifdic_html/1/cif_core.dic/Idiffrn_reflns_theta_full.html
  • Groom CR, Allen FH. The Cambridge structural database in retrospect and prospect. Angew Chem Int Ed. 2014;53:662–671. doi: 10.1002/anie.201306438
  • Schwarzenbach S, Flack HD, Gonschorek W, et al. Statistical descriptors in crystallography: report of the IUCr subcommittee on statistical descriptors. Acta Cryst. 1989;A45:63–75.
  • James RW. The optical principals of the diffraction of X-rays. Woodridge, CT: Ox Bow Press; 1948.
  • Muller P, Herbst-Irmer R, Spek AL, Schneider R, Sawaya MR. Crystal structure refinement: a crystallographer’s guide to SHELXL, international union of crystallography texts on crystallography. Oxford: Oxford; 2006.
  • Rhodes G. Crystallography made crystal clear: A guide for users of macromolecular models. San Diego, CA: Academic Press; 1993.
  • McPherson A. Introduction to macromolecular crystallography. 2nd ed. Hoboken, NJ: Wiley; 2009.
  • Roberts JD, Caserio MC. Basic principles of organic chemistry. New York, NY: Benjamin; 1965.
  • Russell AA, Chapman OL. Structure, chirality, and FT-NMR in sophomore organic chemistry: a modrn approach to teaching. J Chem Ed. 1992;69(10):779–782. doi: 10.1021/ed069p779
  • Fanwick PE. Observations on crystallographic education. Ann Rev Comput Chem. 2007;3:85–98.
  • http://reference.iucr.org/dictionary/Main_Page

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.