Crystallography Open Database

Information card for entry 4073706

Preview

Coordinates	4073706.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H64 B N6 P2 Rh
Calculated formula	C68 H64 B N6 P2 Rh
Title of publication	Synthesis, Structure, and Hydrothiolation Activity of Rhodium Pyrazolylborate Complexes
Authors of publication	Fraser, Lauren R.; Bird, Jeffrey; Wu, Qiming; Cao, Changsheng; Patrick, Brian O.; Love, Jennifer A.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	23
Pages of publication	5602
a	17.4909 ± 0.0009 Å
b	18.524 ± 0.001 Å
c	18.517 ± 0.001 Å
α	90°
β	107.914 ± 0.005°
γ	90°
Cell volume	5708.7 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0853
Weighted residual factors for all reflections included in the refinement	0.0931
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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