Crystallography Open Database

Information card for entry 7052791

Preview

Coordinates	7052791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85 H75 Cl3 N4 P2 Ru
Calculated formula	C85 H75 Cl3 N4 P2 Ru
Title of publication	Ruthenium(ii) and rhodium(iii) porphyrin phosphine complexes: influence of substitution pattern on structure and electronic properties
Authors of publication	Bond, Andrew D.; Sanders, Jeremy K. M.; Stulz, Eugen
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	11
Pages of publication	2691
a	11.0429 ± 0.0002 Å
b	13.5072 ± 0.0002 Å
c	13.9191 ± 0.0003 Å
α	62.832 ± 0.001°
β	80.91 ± 0.001°
γ	68.659 ± 0.001°
Cell volume	1720.36 ± 0.06 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.0579
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180081 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/27.	7052791.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052791.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052791.cif
30111	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 7052788, 7052789, 7052790, 7052791, 7052792 via cif-deposit CGI script.	7052791.cif