Crystallography Open Database

Information card for entry 4109616

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Structure parameters

Formula	C29 H41 Cr N2 O2
Calculated formula	C29 H41 Cr N2 O2
Title of publication	Inverted-Sandwich Dichromium(I) Complexes Supported by Two β-Diketiminates: A Multielectron Reductant and Syntheses of Chromium Dioxo and Imido
Authors of publication	Yi-Chou Tsai; Po-Yang Wang; Shin-An Chen; Jin-Ming Chen
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	8066 - 8067
a	12.621 ± 0.0006 Å
b	15.9424 ± 0.0007 Å
c	14.1817 ± 0.0008 Å
α	90°
β	104.468 ± 0.002°
γ	90°
Cell volume	2763 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1599
Residual factor for significantly intense reflections	0.085
Weighted residual factors for significantly intense reflections	0.1931
Weighted residual factors for all reflections included in the refinement	0.2504
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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
301832 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure.	4109616.cif
178842	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/96.	4109616.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109616.cif
58393	2012-05-28	cif/ Adding structures of 4109616 via cif-deposit CGI script.	4109616.cif