Literature DB >> 11818655

Some 60 new space-group corrections.

Richard E Marsh1, Moshe Kapon, Shengzhi Hu, Frank H Herbstein.   

Abstract

Some 60 examples of crystal structures are presented which can be better described in space groups of higher symmetry than used in the original publications. These are divided into three categories: (A) incorrect Laue group (33 examples), (B) omission of a center of symmetry (22 examples), (C) omission of a center of symmetry coupled with a failure to recognize systematic absences (nine examples). Category A errors do not lead to significant errors in molecular geometry, but these do accompany the two other types of error. There are 19 of the current set of examples which have publication dates of 1996 or later. Critical scrutiny on the part of authors, editors and referees is needed to eliminate such errors in order not to impair the role of crystal structure analysis as the chemical court of last resort.

Year:  2001        PMID: 11818655     DOI: 10.1107/s0108768101017128

Source DB:  PubMed          Journal:  Acta Crystallogr B        ISSN: 0108-7681


  11 in total

1.  Analysis of solvent content and oligomeric states in protein crystals--does symmetry matter?

Authors:  Maksymilian Chruszcz; Wojciech Potrzebowski; Matthew D Zimmerman; Marek Grabowski; Heping Zheng; Piotr Lasota; Wladek Minor
Journal:  Protein Sci       Date:  2008-04       Impact factor: 6.725

2.  Crystallographic characterization of (C5H4SiMe3)3U(BH4).

Authors:  Cory J Windorff; Justin N Cross; Brian L Scott; Stosh A Kozimor; William J Evans
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2021-03-12

3.  1-Methyl-1-azonia-3,5-diaza-7-phospha-tricyclo-[3.3.1.1]decane 7-oxide triiodide.

Authors:  Alexander M Kirillov; Piotr Smoleński; M Fátima C Guedes da Silva; Armando J L Pombeiro
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2008-01-23

4.  Tetra-ethyl-ammonium tricarbonyl-chlorido(isoquinoline-1-carboxyl-ato-κN,O)technetate(I).

Authors:  Helmut W Schmalle; Roger Alberto
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2008-08-30

5.  catena-Poly[[bis-(pyridine-κN)cadmium]-di-μ(2)-thio-cyanato-κN:S;κS:N].

Authors:  Jan Boeckmann; Inke Jess; Christian Näther
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2011-03-26

6.  The Normalized Reduced Form and Cell Mathematical Tools for Lattice Analysis-Symmetry and Similarity.

Authors:  Alan D Mighell
Journal:  J Res Natl Inst Stand Technol       Date:  2003-12-01

Review 7.  Raw diffraction data preservation and reuse: overview, update on practicalities and metadata requirements.

Authors:  Loes M J Kroon-Batenburg; John R Helliwell; Brian McMahon; Thomas C Terwilliger
Journal:  IUCrJ       Date:  2017-01-01       Impact factor: 4.769

Review 8.  The science is in the data.

Authors:  John R Helliwell; Brian McMahon; J Mitchell Guss; Loes M J Kroon-Batenburg
Journal:  IUCrJ       Date:  2017-10-06       Impact factor: 4.769

9.  Kinetic study of catalytic CO2 hydration by metal-substituted biomimetic carbonic anhydrase model complexes.

Authors:  DongKook Park; Man Sig Lee
Journal:  R Soc Open Sci       Date:  2019-08-07       Impact factor: 2.963

10.  Computational Study of Selected Amine and Lactam N-Oxides Including Comparisons of N-O Bond Dissociation Enthalpies with Those of Pyridine N-Oxides.

Authors:  Arthur Greenberg; Alexa R Green; Joel F Liebman
Journal:  Molecules       Date:  2020-08-14       Impact factor: 4.411

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