Crystallography Open Database

Information card for entry 4105104

Preview

Coordinates	4105104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H18 B0.5 P2 Rh0.5
Calculated formula	C6 H18 B0.5 P2 Rh0.5
Title of publication	Thermodynamic Studies and Hydride Transfer Reactions from a Rhodium Complex to BX3 Compounds
Authors of publication	Michael T. Mock; Robert G. Potter; Donald M. Camaioni; Jun Li; William G. Dougherty; W. Scott Kassel; Brendan Twamley; Daniel L. DuBois
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	14454 - 14465
a	10.4454 ± 0.0001 Å
b	9.1995 ± 0.0002 Å
c	11.4117 ± 0.0002 Å
α	90°
β	112.762 ± 0.001°
γ	90°
Cell volume	1011.18 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0361
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0784
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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