Crystallography Open Database

Information card for entry 4086147

Preview

Coordinates	4086147.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H100 Ge2 O2.5 P2 Ru
Calculated formula	C64 H100 Ge2 O2.5 P2 Ru
Title of publication	A Ruthenium Dihydrogen Germylene Complex and the Catalytic Synthesis of Digermoxane
Authors of publication	Smart, Katharine A.; Mothes-Martin, Emmanuelle; Vendier, Laure; Perutz, Robin N.; Grellier, Mary; Sabo-Etienne, Sylviane
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	16
Pages of publication	4158
a	11.731 ± 0.0002 Å
b	12.259 ± 0.0003 Å
c	21.654 ± 0.0003 Å
α	90°
β	101.101 ± 0.001°
γ	90°
Cell volume	3055.8 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0644
Weighted residual factors for all reflections included in the refinement	0.0667
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
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
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.	4086147.cif
154747	2015-09-06	cif/ Updating files of 4086145, 4086146, 4086147 Original log message: Adding full bibliography for 4086145--4086147.cif.	4086147.cif
152765	2015-08-05	cif/ Adding structures of 4086145, 4086146, 4086147 via cif-deposit CGI script.	4086147.cif