Crystallography Open Database

Information card for entry 4079516

Preview

Coordinates	4079516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H39 Cl6 N2 O Ru2
Calculated formula	C32 H39 Cl6 N2 O Ru2
SMILES	[Ru]123([Cl][Ru]45678([Cl]1)([O]3Cc1c(N3C=2N(C=C3)c2c(cc(cc2C)C)C)c(cc(c1)C)C)[c]1([cH]5[cH]6[c]7([cH]8[cH]41)C(C)C)C)(Cl)Cl.C(Cl)Cl
Title of publication	Activation of Nitrous Oxide by Dinuclear Ruthenium Complexes
Authors of publication	Tskhovrebov, Alexander G.; Solari, Euro; Scopelliti, Rosario; Severin, Kay
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	20
Pages of publication	7235
a	17.138 ± 0.005 Å
b	12.6913 ± 0.0017 Å
c	16.175 ± 0.004 Å
α	90°
β	100.96 ± 0.02°
γ	90°
Cell volume	3453.9 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.1283
Residual factor for significantly intense reflections	0.0729
Weighted residual factors for significantly intense reflections	0.1081
Weighted residual factors for all reflections included in the refinement	0.1226
Goodness-of-fit parameter for all reflections included in the refinement	1.194
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
178684 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/95.	4079516.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079516.cif
72463	2013-01-21	cif/ Adding structures of 4079514, 4079515, 4079516 via cif-deposit CGI script.	4079516.cif