Crystallography Open Database

Information card for entry 4075095

Preview

Coordinates	4075095.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H33 N2 P Ru
Calculated formula	C20 H33 N2 P Ru
SMILES	[Ru]12345678(P9[C]3(=[N]1[N]2=[C]49C(C)(C)C)C(C)(C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C
Title of publication	Synthesis and Characterization of η5-1,2,4-Diazaphospholide Complexes of Ruthenium†
Authors of publication	Zheng, Wenjun; Zhang, Guozhen; Fan, Kangnian
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	7
Pages of publication	1548
a	19.2582 ± 0.0014 Å
b	8.7467 ± 0.0007 Å
c	26.2846 ± 0.0019 Å
α	90°
β	100.592 ± 0.001°
γ	90°
Cell volume	4352.1 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0779
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
178639 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/50.	4075095.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075095.cif
49066	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075095 via cif-deposit CGI script.	4075095.cif