Crystallography Open Database

Information card for entry 4116453

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Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tetrakis(2,6-diphenyliminopiperidinato)dichromium(II)
Formula	C69 H66 Cl2 Cr2 N12
Calculated formula	C69.017 H64 Cl2.034 Cr2 N12
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	27.197 ± 0.003 Å
b	16.467 ± 0.008 Å
c	29.511 ± 0.01 Å
α	90°
β	110.43 ± 0.02°
γ	90°
Cell volume	12385 ± 8 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.091
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for all reflections	0.189
Weighted residual factors for significantly intense reflections	0.1596
Goodness-of-fit parameter for all reflections	1.084
Goodness-of-fit parameter for significantly intense reflections	1.095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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