Crystallography Open Database

Information card for entry 4121595

Preview

Coordinates	4121595.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H33 F12 N7 P2 Ru
Calculated formula	C40 H30 F12 N7 P2 Ru
Title of publication	Visible light-driven hydrogen evolution from water catalyzed by a molecular cobalt complex.
Authors of publication	Tong, Lianpeng; Zong, Ruifa; Thummel, Randolph P.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	13
Pages of publication	4881 - 4884
a	10.7899 ± 0.0002 Å
b	13.6545 ± 0.0003 Å
c	13.9861 ± 0.0002 Å
α	80.6099 ± 0.0011°
β	89.009 ± 0.0011°
γ	78.5251 ± 0.0012°
Cell volume	1992.09 ± 0.06 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1024
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179017 (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 4/12/15.	4121595.cif
109079	2014-04-08	cif/ Adding structures of 4121595 via cif-deposit CGI script.	4121595.cif