Crystallography Open Database

Information card for entry 4111957

4111956 << 4111957 >> 4111958

Preview

Coordinates	4111957.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41.5 H46 F12 N7 O2.5 P2 Ru
Calculated formula	C41.5 H46 F12 N7 O2.5 P2 Ru
Title of publication	A New Family of Ru Complexes for Water Oxidation
Authors of publication	Ruifa Zong; Randolph P. Thummel
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	12802 - 12803
a	14.8445 ± 0.0008 Å
b	23.8182 ± 0.0013 Å
c	26.326 ± 0.0014 Å
α	90°
β	100.51 ± 0.001°
γ	90°
Cell volume	9151.9 ± 0.9 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
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	0.0852
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1471
Weighted residual factors for all reflections included in the refinement	0.171
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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.	4111957.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111957.cif
63572	2012-08-03	cif/ Adding structures of 4111957 via cif-deposit CGI script.	4111957.cif