Crystallography Open Database

Information card for entry 4074668

Preview

Coordinates	4074668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H46 F6 N3 O0.5 P3 Ru
Calculated formula	C58.998 H40 F6 N3 O0.5 P3 Ru
Title of publication	Preparation, Characterization, Redox Properties, and UV−Vis−NIR Spectra of Binuclear Ruthenium Complexes [{(Phtpy)(PPh3)2Ru}2{C⋮C−(CHCH)m−C⋮C}]n+(Phtpy = 4‘-phenyl-2,2‘:6‘,2‘ ‘-terpyridine)
Authors of publication	Gao, Li-Bin; Liu, Sheng-Hua; Zhang, Li-Yi; Shi, Lin-Xi; Chen, Zhong-Ning
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	2
Pages of publication	506
a	39.214 ± 0.003 Å
b	13.1766 ± 0.0008 Å
c	28.174 ± 0.002 Å
α	90°
β	131.978 ± 0.002°
γ	90°
Cell volume	10822.2 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0743
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1973
Weighted residual factors for all reflections included in the refinement	0.2055
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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.	4074668.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074668.cif
48643	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074668 via cif-deposit CGI script.	4074668.cif