Crystallography Open Database

Information card for entry 4106188

Preview

Coordinates	4106188.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H47.5 Cl3 F24 N4 O8 P4 Rh2
Calculated formula	C31 H47.5 Cl3 F24 N4 O8 P4 Rh2
Title of publication	Oxygen Reduction to Water Mediated by a Dirhodium Hydrido-Chloride Complex
Authors of publication	Thomas S. Teets; Timothy R. Cook; Brian D. McCarthy; Daniel G. Nocera
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	8114 - 8117
a	44.021 ± 0.003 Å
b	11.0442 ± 0.0007 Å
c	25.8534 ± 0.0016 Å
α	90°
β	120.892 ± 0.001°
γ	90°
Cell volume	10786.2 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0372
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0702
Weighted residual factors for all reflections included in the refinement	0.0758
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4106188.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106188.cif
52979	2012-04-16	../uploads/cif-deposit/cod/cif Adding structures of 4106188 via cif-deposit CGI script.	4106188.cif