Crystallography Open Database

Information card for entry 4069674

Preview

Coordinates	4069674.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ru=GeHtrip
Formula	C32 H57 Ge P Ru
Calculated formula	C32 H57 Ge P Ru
SMILES	[RuH]1234(=[GeH]c5c(C(C)C)cc(C(C)C)cc5C(C)C)([P](C(C)C)(C(C)C)C)[c]5([c]1([c]2([c]3([c]45C)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	18.806 ± 0.003 Å
b	9.1283 ± 0.0015 Å
c	19.516 ± 0.003 Å
α	90°
β	98.258 ± 0.002°
γ	90°
Cell volume	3315.5 ± 0.9 Å³
Cell temperature	145 ± 2 K
Ambient diffraction temperature	145 ± 2 K
Number of distinct elements	5
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	0.0633
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0601
Weighted residual factors for all reflections included in the refinement	0.0635
Goodness-of-fit parameter for all reflections included in the refinement	0.801
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.	4069674.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069674.cif
40383	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069671, 4069672, 4069673, 4069674, 4069675 via cif-deposit CGI script.	4069674.cif