Crystallography Open Database

Information card for entry 4336579

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Coordinates	4336579.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H31 Co N2 O7
Calculated formula	C20 H29 Co N2 O7
Title of publication	Cp*Co(III) Catalysts with Proton-Responsive Ligands for Carbon Dioxide Hydrogenation in Aqueous Media
Authors of publication	Yosra M. Badiei; Wan-Hui Wang; Jonathan F. Hull; David J. Szalda; James T. Muckerman; Yuichiro Himeda; Etsuko Fujita
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12576 - 12586
a	20.3573 ± 0.0009 Å
b	11.6229 ± 0.0005 Å
c	9.4728 ± 0.0004 Å
α	90°
β	99.417 ± 0.002°
γ	90°
Cell volume	2211.16 ± 0.17 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0413
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0996
Weighted residual factors for all reflections included in the refinement	0.1032
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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