Crystallography Open Database

Information card for entry 4116450

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Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tetrakis(2,2'-dipyridylamidinato)dichromium(II)
Formula	C42 H36 Cl4 Cr2 N12
Calculated formula	C42 H36 Cl4 Cr2 N12
SMILES	c1cccc2[n]1[Cr]134[Cr](N2c2ccccn2)(N(c2cccc[n]12)c1ccccn1)([n]1ccccc1N3c1ccccn1)[n]1ccccc1N4c1ccccn1.C(Cl)Cl.C(Cl)Cl
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	23.966 ± 0.006 Å
b	9.581 ± 0.002 Å
c	19.106 ± 0.004 Å
α	90°
β	104.763 ± 0.005°
γ	90°
Cell volume	4242.3 ± 1.6 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	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0564
Residual factor for significantly intense reflections	0.051
Weighted residual factors for all reflections	0.1319
Weighted residual factors for significantly intense reflections	0.1255
Goodness-of-fit parameter for all reflections	1.038
Goodness-of-fit parameter for significantly intense reflections	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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