Crystallography Open Database

Information card for entry 4337538

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Coordinates	4337538.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H30 Cl4 N2 Zn
Calculated formula	C23.0004 H28 Cl4.0008 N2 Zn
Title of publication	Element misidentification in X-ray crystallography: a reassessment of the [MCl2(diazadiene)] (M = Cr, Mo, W) series.
Authors of publication	Greene, Angelique F.; Chandrasekaran, P.; Yan, Yong; Mague, Joel T.; Donahue, James P.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	1
Pages of publication	308 - 317
a	12.6703 ± 0.0002 Å
b	14.4861 ± 0.0002 Å
c	14.1761 ± 0.0002 Å
α	90°
β	90.837 ± 0.001°
γ	90°
Cell volume	2601.65 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0682
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1343
Weighted residual factors for all reflections included in the refinement	0.1442
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179478 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/75.	4337538.cif
106458	2014-03-15	cif/ Adding structures of 4337536, 4337537, 4337538, 4337539 via cif-deposit CGI script.	4337538.cif