Crystallography Open Database

Information card for entry 4069675

Preview

Coordinates	4069675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H56 Cl P Ru Si
Calculated formula	C32 H56 Cl P Ru Si
SMILES	[RuH]1234([P](C)(C(C)C)C(C)C)(=[Si](Cl)c5c(cc(cc5C(C)C)C(C)C)C(C)C)[c]5([c]3([c]1([c]4([c]25C)C)C)C)C
Title of publication	Synthesis, Structure, and Reactivity of Neutral Hydrogen-Substituted Ruthenium Silylene and Germylene Complexes
Authors of publication	Hayes, Paul G.; Waterman, Rory; Glaser, Paul B.; Tilley, T. Don
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	17
Pages of publication	5082
a	19.238 ± 0.008 Å
b	10.074 ± 0.004 Å
c	19.558 ± 0.008 Å
α	90°
β	118.217 ± 0.006°
γ	90°
Cell volume	3340 ± 2 Å³
Cell temperature	165 ± 2 K
Ambient diffraction temperature	165 ± 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	0.2024
Residual factor for significantly intense reflections	0.1186
Weighted residual factors for significantly intense reflections	0.2698
Weighted residual factors for all reflections included in the refinement	0.3388
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
178585 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/96.	4069675.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069675.cif
40383	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069671, 4069672, 4069673, 4069674, 4069675 via cif-deposit CGI script.	4069675.cif