Crystallography Open Database

Information card for entry 7111919

7111918 << 7111919 >> 7111920

Preview

Coordinates	7111919.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59.5 H86 Cr2 N4
Calculated formula	C59.5 H86 Cr2 N4
Title of publication	Binding and activation of small molecules by a quintuply bonded chromium dimer
Authors of publication	Jingmei Shen; Glenn P. A. Yap; Klaus H. Theopold
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	2579
a	25.96 ± 0.007 Å
b	12.029 ± 0.003 Å
c	37.245 ± 0.008 Å
α	90°
β	110.265 ± 0.009°
γ	90°
Cell volume	10911 ± 5 Å³
Cell temperature	195 ± 2 K
Ambient diffraction temperature	195 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1397
Residual factor for significantly intense reflections	0.0703
Weighted residual factors for significantly intense reflections	0.1727
Weighted residual factors for all reflections included in the refinement	0.2083
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7111919.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7111919.cif
103147	2014-02-25	cif/ Adding structures of 7111919, 7111920, 7111921, 7111922, 7111923, 7111924 via cif-deposit CGI script.	7111919.cif