Crystallography Open Database

Information card for entry 4317455

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Coordinates	4317455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H80 Cl8 Cr2 F6 N12 P
Calculated formula	C72 H80 Cl8 Cr2 F6 N12 P
Title of publication	The First Oxidation of a Cr24+ Paddlewheel Complex to an Isostructural Stable Product
Authors of publication	F. Albert Cotton; Lee M. Daniels; Penglin Huang; Carlos A. Murillo
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	317 - 320
a	22.8315 ± 0.0013 Å
b	15.7262 ± 0.0009 Å
c	23.8159 ± 0.0014 Å
α	90°
β	116.298 ± 0.001°
γ	90°
Cell volume	7666.1 ± 0.8 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	7
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	0.0752
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for all reflections	0.157
Weighted residual factors for significantly intense reflections	0.1442
Goodness-of-fit parameter for all reflections	1.028
Goodness-of-fit parameter for significantly intense reflections	1.097
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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