Crystallography Open Database

Information card for entry 4084869

Preview

Coordinates	4084869.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H62 P4 Ru
Calculated formula	C72 H62.0001 P4 Ru
Title of publication	Solid-State Structure and Solution Reactivity of [(Ph3P)4Ru(H)2] and Related Ru(II) Complexes Used in Catalysis: A Reinvestigation
Authors of publication	Samouei, Hamidreza; Miloserdov, Fedor M.; Escudero-Adán, Eduardo C.; Grushin, Vladimir V.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	24
Pages of publication	7279
a	19.028 ± 0.003 Å
b	19.028 ± 0.003 Å
c	26.297 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	8246 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.2414
Residual factor for significantly intense reflections	0.0908
Weighted residual factors for significantly intense reflections	0.2071
Weighted residual factors for all reflections included in the refinement	0.2932
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
178737 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/48.	4084869.cif
131446	2015-02-07	cif/ Updating files of 4084867, 4084868, 4084869, 4084870, 4084871, 4084872, 4084873, 4084874, 4084875 Original log message: Adding full bibliography for 4084867--4084875.cif.	4084869.cif
128431	2014-12-06	cif/ Adding structures of 4084867, 4084868, 4084869, 4084870, 4084871, 4084872, 4084873, 4084874, 4084875 via cif-deposit CGI script.	4084869.cif