Crystallography Open Database

Information card for entry 4079512

Preview

Coordinates	4079512.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.5 H39 Cl1.89 I1.11 N2 O3 Ru
Calculated formula	C32.5 H39 Cl1.8881 I1.1119 N2 O3 Ru
Title of publication	Halide Exchange in Second-Generationcis-Dihalo Ruthenium Benzylidene Complexes
Authors of publication	Pump, Eva; Fischer, Roland C.; Slugovc, Christian
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	19
Pages of publication	6972
a	8.0758 ± 0.0009 Å
b	20.488 ± 0.0019 Å
c	21.52 ± 0.002 Å
α	108.225 ± 0.003°
β	97.87 ± 0.004°
γ	96.013 ± 0.004°
Cell volume	3308.7 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.072
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.0876
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	4079512.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079512.cif
72462	2013-01-21	cif/ Adding structures of 4079511, 4079512, 4079513 via cif-deposit CGI script.	4079512.cif