Crystallography Open Database

Information card for entry 4308240

Preview

Coordinates	4308240.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H52 F N P2 Ru Si2
Calculated formula	C22 H52 F N P2 Ru Si2
SMILES	[Ru]12([P](C[Si](N2[Si](C)(C)C[P]1(C(C)(C)C)C(C)(C)C)(C)C)(C(C)(C)C)C(C)(C)C)F
Title of publication	Influence of Chelate Substituents on the Structure and Spin State of Unsaturated [N(SiMe2CH2PtBu2)2]Ru-X
Authors of publication	Xiaofan Yang; Amy Walstrom; Nikolay Tsvetkov; Maren Pink; Kenneth G. Caulton
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	4612 - 4616
a	17.8638 ± 0.001 Å
b	11.0914 ± 0.0006 Å
c	16.4562 ± 0.0009 Å
α	90°
β	117.328 ± 0.001°
γ	90°
Cell volume	2896.6 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0348
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0635
Weighted residual factors for all reflections included in the refinement	0.0678
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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
179120 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/82.	4308240.cif
120081	2014-07-11	Adding DOIs to range 4/30 structures.	4308240.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308240.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4308240.cif