Crystallography Open Database

Information card for entry 4106187

Preview

Coordinates	4106187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H40 Cl4 F24 N4 O8 P4 Rh2
Calculated formula	C28 H40 Cl4 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	12.7491 ± 0.0012 Å
b	19.59 ± 0.0018 Å
c	21.03 ± 0.002 Å
α	90°
β	98.354 ± 0.002°
γ	90°
Cell volume	5196.6 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0845
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
178807 (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 4/10/61.	4106187.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106187.cif
52978	2012-04-16	../uploads/cif-deposit/cod/cif Adding structures of 4106187 via cif-deposit CGI script.	4106187.cif