Crystallography Open Database

Information card for entry 4119893

4119892 << 4119893 >> 4119894

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Coordinates	4119893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H106 B Co F24 N O P2 Si
Calculated formula	C65 H78 B Co F24 N P2 Si
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	13.4956 ± 0.0009 Å
b	15.1512 ± 0.0011 Å
c	18.5335 ± 0.0013 Å
α	89.92 ± 0.001°
β	89.466 ± 0.001°
γ	79.302 ± 0.001°
Cell volume	3723.6 ± 0.5 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0819
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1471
Weighted residual factors for all reflections included in the refinement	0.1579
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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