Crystallography Open Database

Information card for entry 4109619

Preview

Coordinates	4109619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H90 Cr2 N4
Calculated formula	C65 H90 Cr2 N4
SMILES	[Cr]123456(N(c7c(C(C)C)cccc7C(C)C)C(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)C)[c]17([cH]86[Cr]69%10%111(N(c1c(C(C)C)cccc1C(C)C)C(=CC(=[N]6c1c(C(C)C)cccc1C(C)C)C)C)[cH]27[cH]39[cH]4%10[cH]58%11)C
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	17.7158 ± 0.0002 Å
b	15.384 ± 0.0002 Å
c	24.9281 ± 0.0004 Å
α	90°
β	107.906 ± 0.001°
γ	90°
Cell volume	6464.82 ± 0.16 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
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	0.1093
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1613
Weighted residual factors for all reflections included in the refinement	0.1815
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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
178842 (current)	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.	4109619.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109619.cif
58396	2012-05-28	cif/ Adding structures of 4109619 via cif-deposit CGI script.	4109619.cif