Crystallography Open Database

Information card for entry 4105187

Preview

Coordinates	4105187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H84 B3 F24 N2 P2 Rh
Calculated formula	C60 H84 B3 F24 N2 P2 Rh
Title of publication	Monomeric and Oligomeric Amine-Borane σ-Complexes of Rhodium. Intermediates in the Catalytic Dehydrogenation of Amine-Boranes
Authors of publication	Thomas M. Douglas; Adrian B. Chaplin; Andrew S. Weller; Xinzheng Yang; Michael B. Hall
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	15440 - 15456
a	50.6131 ± 0.0004 Å
b	19.6787 ± 0.0002 Å
c	14.3994 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	14341.8 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1357
Weighted residual factors for all reflections included in the refinement	0.1465
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
178797 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/51.	4105187.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105187.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105187.cif
30381	2011-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4105187 via cif-deposit CGI script.	4105187.cif