Crystallography Open Database

Information card for entry 4120696

4120695 << 4120696 >> 4120697

Preview

Coordinates	4120696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C184 H160 F48 N40 O8 P8 Ru8
Calculated formula	C184 H160 F48 N40 O8 P8 Ru8
Title of publication	New powerful and oxidatively rugged dinuclear ru water oxidation catalyst: control of mechanistic pathways by tailored ligand design.
Authors of publication	Neudeck, Sven; Maji, Somnath; López, Isidoro; Meyer, Steffen; Meyer, Franc; Llobet, Antoni
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	1
Pages of publication	24 - 27
a	23.329 ± 0.002 Å
b	18.055 ± 0.003 Å
c	25.448 ± 0.003 Å
α	90°
β	114.892 ± 0.008°
γ	90°
Cell volume	9723 ± 2 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.072
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0689
Weighted residual factors for all reflections included in the refinement	0.0753
Goodness-of-fit parameter for all reflections included in the refinement	0.853
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
178983 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/06.	4120696.cif
106678	2014-03-15	cif/ Adding structures of 4120696 via cif-deposit CGI script.	4120696.cif