Crystallography Open Database

Information card for entry 4117650

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Structure parameters

Formula	C58 H57.5 B F25.5 P2 Rh
Calculated formula	C58 H57.5 B F25.5 P2 Rh
Title of publication	Intermolecular Hydroacylation: High Activity Rhodium Catalysts Containing Small-Bite-Angle Diphosphine Ligands
Authors of publication	Adrian B. Chaplin; Joel F. Hooper; Andrew S. Weller; Michael C. Willis
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	4885 - 4897
a	12.5024 ± 0.0001 Å
b	19.9855 ± 0.0002 Å
c	26.3918 ± 0.0003 Å
α	78.6713 ± 0.0007°
β	86.0042 ± 0.0007°
γ	74.4807 ± 0.0005°
Cell volume	6229.18 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1274
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for significantly intense reflections	0.169
Weighted residual factors for all reflections included in the refinement	0.1908
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301833 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure.	4117650.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4117650.cif
74771	2013-03-03	cif/ Adding structures of 4117650 via cif-deposit CGI script.	4117650.cif