Crystallography Open Database

Information card for entry 4086317

Preview

Coordinates	4086317.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H66 Cr2 O4
Calculated formula	C70 H99 Cr2 O4
Title of publication	Catalytic Formation of Asymmetric Carbodiimides at Mononuclear Chromium(II/IV) Bis(alkoxide) Complexes
Authors of publication	Yousif, Maryam; Tjapkes, Daniel J.; Lord, Richard L.; Groysman, Stanislav
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	20
Pages of publication	5119
a	11.2537 ± 0.0007 Å
b	15.769 ± 0.001 Å
c	18.3056 ± 0.001 Å
α	92.83 ± 0.002°
β	103.028 ± 0.002°
γ	97.627 ± 0.002°
Cell volume	3126.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0837
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1269
Weighted residual factors for all reflections included in the refinement	0.1396
Goodness-of-fit parameter for all reflections included in the refinement	1.244
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4086317.cif
170105	2015-11-06	cif/ Updating files of 4086317, 4086318, 4086319, 4086320, 4086321, 4086322, 4086323 Original log message: Adding full bibliography for 4086317--4086323.cif.	4086317.cif
165888	2015-10-12	cif/ Adding structures of 4086317, 4086318, 4086319, 4086320, 4086321, 4086322, 4086323 via cif-deposit CGI script.	4086317.cif