Crystallography Open Database

Information card for entry 7117861

Preview

Coordinates	7117861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50.5 H49 O2 P Ru S2 Si
Calculated formula	C50.5 H49 O2 P Ru S2 Si
Title of publication	Si-H activation by means of metal ligand cooperation in a methandiide derived carbene complex
Authors of publication	Julia Weismann; Viktoria H. Gessner
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	14909
a	9.3712 ± 0.0007 Å
b	13.5265 ± 0.0009 Å
c	17.6717 ± 0.0012 Å
α	97.379 ± 0.002°
β	97.74 ± 0.002°
γ	101.302 ± 0.002°
Cell volume	2148.8 ± 0.3 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	0.0369
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0756
Weighted residual factors for all reflections included in the refinement	0.0803
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7117861.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7117861.cif
158312	2015-09-25	cif/ Adding structures of 7117860, 7117861, 7117862 via cif-deposit CGI script.	7117861.cif