Crystallography Open Database

Information card for entry 4119890

4119889 << 4119890 >> 4119891

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Coordinates	4119890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H39 Co N P2 Si
Calculated formula	C32 H39 Co N P2 Si
SMILES	[Co]12([P](c3ccccc3)(c3ccccc3)CCN2CC[P]1(c1ccccc1)c1ccccc1)C[Si](C)(C)C
Title of publication	Understanding the Mechanisms of Cobalt-Catalyzed Hydrogenation and Dehydrogenation Reactions
Authors of publication	Guoqi Zhang; Kalyan V. Vasudevan; Brian L. Scott; Susan K. Hanson
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	8668 - 8681
a	17.7545 ± 0.0017 Å
b	9.4067 ± 0.0009 Å
c	19.5299 ± 0.0018 Å
α	90°
β	109.827 ± 0.001°
γ	90°
Cell volume	3068.4 ± 0.5 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0766
Goodness-of-fit parameter for all reflections included in the refinement	1.234
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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