Crystallography Open Database

Information card for entry 4334483

Preview

Coordinates	4334483.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H158 B Cl F26 P4 Rh2
Calculated formula	C116 H157.99 B Cl F26.01 P4 Rh2
Title of publication	Dehydrocoupling of Dimethylamine Borane Catalyzed by Rh(PCy3)2H2Cl
Authors of publication	Laura J. Sewell; Miguel A. Huertos; Molly E. Dickinson; Andrew S. Weller; Guy C. Lloyd-Jones
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4509 - 4516
a	17.1205 ± 0.0002 Å
b	16.9183 ± 0.0002 Å
c	21.4057 ± 0.0003 Å
α	90°
β	109.292 ± 0.001°
γ	90°
Cell volume	5852 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0866
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.1199
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
179447 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/44.	4334483.cif
100310	2014-02-04	cif/ Adding structures of 4334483 via cif-deposit CGI script.	4334483.cif