Crystallography Open Database

Information card for entry 4116452

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Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tetrakis(2,6-diphenyliminopiperidinato)dichromium(II)
Formula	C76 H74 Cr2 N12 O2
Calculated formula	C76 H64 Cr2 N12 O2
Title of publication	Remarkable Effects of Axial π* Coordination on the Cr-Cr Quadruple Bond in Dichromium Paddlewheel Complexes
Authors of publication	F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Isabel Pascual; Hong-Cai Zhou
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	6856 - 6861
a	14.198 ± 0.002 Å
b	14.638 ± 0.007 Å
c	18.118 ± 0.012 Å
α	108.97 ± 0.02°
β	109.53 ± 0.04°
γ	95.27 ± 0.03°
Cell volume	3270 ± 3 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0716
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for all reflections	0.1588
Weighted residual factors for significantly intense reflections	0.1467
Goodness-of-fit parameter for all reflections	1.057
Goodness-of-fit parameter for significantly intense reflections	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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