Crystallography Open Database

Information card for entry 4116451

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Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tetrakis(2,6-diphenyliminopiperidinato)dichromium(II)
Formula	C72 H72 Cr2 N12 O
Calculated formula	C72 H72 Cr2 N12 O
SMILES	[Cr]1234[Cr]([N](=C5N1C(=N\c1ccccc1)\CCC5)c1ccccc1)(N1/C(=N/c5ccccc5)CCCC1=[N]2c1ccccc1)([N](=C1N3/C(=N/c2ccccc2)CCC1)c1ccccc1)N1C(=N\c2ccccc2)\CCCC1=[N]4c1ccccc1.O1CCCC1
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	27.2495 ± 0.0008 Å
b	16.4863 ± 0.0013 Å
c	29.413 ± 0.002 Å
α	90°
β	110.416 ± 0.005°
γ	90°
Cell volume	12383.6 ± 1.4 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	0.0751
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for all reflections	0.1555
Weighted residual factors for significantly intense reflections	0.1325
Goodness-of-fit parameter for all reflections	1.094
Goodness-of-fit parameter for significantly intense reflections	1.109
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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