Crystallography Open Database

Information card for entry 4306504

Preview

Coordinates	4306504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H57 O3 P3 Ru Si3
Calculated formula	C45 H57 O3 P3 Ru Si3
SMILES	C1O[Si](C)(C)[RuH]2([H][Si](C)(C)OC[P]2(c2ccccc2)c2ccccc2)([P]1(c1ccccc1)c1ccccc1)[P](CO[SiH](C)C)(c1ccccc1)c1ccccc1
Title of publication	Bonding Mode of a Bifunctional P~Si-H Ligand in the Ruthenium Complex "Ru(PPh2CH2OSiMe2H)3"
Authors of publication	Virginia Montiel-Palma; Olivier Piechaczyk; Alexandre Picot; Audrey Auffrant; Laure Vendier; Pascal Le Floch; Sylviane Sabo-Etienne
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	8601 - 8603
a	16.8397 ± 0.0012 Å
b	13.073 ± 0.0009 Å
c	20.426 ± 0.002 Å
α	90°
β	98.447 ± 0.007°
γ	90°
Cell volume	4447.9 ± 0.6 Å³
Cell temperature	101.5 K
Ambient diffraction temperature	101.5 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1105
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0572
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	0.803
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179103 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/65.	4306504.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306504.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306504.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4306504.cif