Crystallography Open Database

Information card for entry 4329564

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Coordinates	4329564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H48 Cl2 Cr N4
Calculated formula	C36 H48 Cl2 Cr N4
Title of publication	Scrutinizing Low-Spin Cr(II) Complexes
Authors of publication	Christopher C. Scarborough; Stephen Sproules; Christian J. Doonan; Karl S. Hagen; Thomas Weyhermüller; Karl Wieghardt
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	6969 - 6982
a	25.027 ± 0.005 Å
b	11.599 ± 0.002 Å
c	53.487 ± 0.009 Å
α	90°
β	90.375 ± 0.003°
γ	90°
Cell volume	15526 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0913
Residual factor for significantly intense reflections	0.0648
Weighted residual factors for significantly intense reflections	0.1284
Weighted residual factors for all reflections included in the refinement	0.1382
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4329564.cif
78621	2013-04-02	cif/ Adding structures of 4329564 via cif-deposit CGI script.	4329564.cif