Crystallography Open Database

Information card for entry 4332786

Preview

Coordinates	4332786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H27 Cl9 I N6 O5 Ru2
Calculated formula	C45 H27 Cl9 I N6 O5 Ru2
SMILES	Ic1ccc(C2=[N]([Ru]345([Ru](N2C)(N(C=[N]3c2cc(cc(c2)Cl)Cl)c2cc(cc(c2)Cl)Cl)([N](=CN4c2cc(cc(c2)Cl)Cl)c2cc(cc(c2)Cl)Cl)([O]=C(C)O5)[OH2])Cl)C)cc1.C1CCOC1.C1CCCO1
Title of publication	Preparation and Characterization of a Family of Ru2Compounds Bearing Iodo/Ethynyl Substituents on the Periphery
Authors of publication	Chen, Wei-Zhong; Ren, Tong
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	20
Pages of publication	8156 - 8164
a	15.416 ± 0.002 Å
b	22.943 ± 0.004 Å
c	17.11 ± 0.004 Å
α	90°
β	113.033 ± 0.014°
γ	90°
Cell volume	5569.2 ± 1.9 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0971
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1338
Weighted residual factors for all reflections included in the refinement	0.1511
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179430 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/27.	4332786.cif
98546	2014-01-30	cif/ Adding structures of 4332783, 4332784, 4332785, 4332786, 4332787, 4332788, 4332789 via cif-deposit CGI script.	4332786.cif