Crystallography Open Database

Information card for entry 4109618

Preview

Coordinates	4109618.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H106 Cr2 N6
Calculated formula	C76 H106 Cr2 N6
SMILES	c1(C(C)C)c([N]2=C(C)C=C(N(c3c(C(C)C)cccc3C(C)C)[Cr]342N(c2ccccc2)[Cr]24([N](c4c(C(C)C)cccc4C(C)C)=C(C)C=C(N2c2c(C(C)C)cccc2C(C)C)C)N3c2ccccc2)C)c(C(C)C)ccc1.CCCCCC
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	12.136 ± 0.0003 Å
b	12.864 ± 0.0005 Å
c	13.146 ± 0.0005 Å
α	89.143 ± 0.001°
β	66.039 ± 0.001°
γ	68.073 ± 0.002°
Cell volume	1717.02 ± 0.11 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.1607
Residual factor for significantly intense reflections	0.0943
Weighted residual factors for significantly intense reflections	0.2298
Weighted residual factors for all reflections included in the refinement	0.2728
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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.	4109618.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109618.cif
58395	2012-05-28	cif/ Adding structures of 4109618 via cif-deposit CGI script.	4109618.cif