Crystallography Open Database

Information card for entry 7052789

Preview

Coordinates	7052789.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C121 H134 I N4 P2 Rh
Calculated formula	C121 H134 I N4 P2 Rh
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	12.0257 ± 0.0003 Å
b	15.2154 ± 0.0003 Å
c	16.3438 ± 0.0005 Å
α	102.144 ± 0.001°
β	98.439 ± 0.001°
γ	111.559 ± 0.001°
Cell volume	2635.21 ± 0.12 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 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	0.0893
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.1859
Weighted residual factors for all reflections included in the refinement	0.2173
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
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.	7052789.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052789.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052789.cif
30111	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 7052788, 7052789, 7052790, 7052791, 7052792 via cif-deposit CGI script.	7052789.cif