Crystallography Open Database

Information card for entry 4106045

Preview

Coordinates	4106045.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36.8 H83.2 Cl2 Cr2 N8 P4
Calculated formula	C36.8 H87.2 Cl2 Cr2 N8 P4
Title of publication	Vinyl Oxidative Coupling as a Synthetic Route to Catalytically Active Monovalent Chromium
Authors of publication	Khalid Albahily; Yacoob Shaikh; Elena Sebastiao; Sandro Gambarotta; Ilia Korobkov; Serge I. Gorelsky
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	6388 - 6395
a	24.9305 ± 0.0009 Å
b	11.2301 ± 0.0004 Å
c	9.7869 ± 0.0004 Å
α	90°
β	109.799 ± 0.002°
γ	90°
Cell volume	2578.08 ± 0.17 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0871
Residual factor for significantly intense reflections	0.0717
Weighted residual factors for significantly intense reflections	0.1849
Weighted residual factors for all reflections included in the refinement	0.1968
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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