Crystallography Open Database

Information card for entry 7052415

Preview

Coordinates	7052415.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H52 N2 Os P2
Calculated formula	C25 H50 N2 Os P2
SMILES	[Os]1(Nc2ccccc2N1C)([P](C(C)C)(C(C)C)C(C)C)[P](C(C)C)(C(C)C)C(C)C
Title of publication	New d4 dihydrides of Ru(iv) and Os(iv) with ?-donor ligands: M(H)2(chelate)(PiPr3)2 with chelate =ortho-XYC6H4 with X, Y = O, NR; R = H or CH3
Authors of publication	Ferrando-Miguel, German; Wu, Peng; Huffman, John C.; Caulton, Kenneth G.
Journal of publication	New Journal of Chemistry
Year of publication	2005
Journal volume	29
Journal issue	1
Pages of publication	193
a	8.9882 ± 0.0003 Å
b	21.8475 ± 0.0009 Å
c	14.1438 ± 0.0006 Å
α	90°
β	97.422 ± 0.001°
γ	90°
Cell volume	2754.14 ± 0.19 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0674
Weighted residual factors for all reflections included in the refinement	0.0698
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
180078 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/24.	7052415.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052415.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052415.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7052415.cif