Crystallography Open Database

Information card for entry 4341649

Preview

Coordinates	4341649.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H68 O P4 Ru
Calculated formula	C31 H68 O P4 Ru
SMILES	[RuH2]12(C#[O])[P](CC[P]1(CC[P]2(C(C)(C)C)C(C)(C)C)CCP(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
Title of publication	Ruthenium Hydrides Containing the Superhindered Polydentate Polyphosphine Ligand P(CH2CH2P(t)Bu2)3.
Authors of publication	Gilbert-Wilson, Ryan; Field, Leslie D.; Bhadbhade, Mohan
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141112150820006
a	8.3997 ± 0.0003 Å
b	21.4472 ± 0.0007 Å
c	20.3982 ± 0.0006 Å
α	90°
β	99.013 ± 0.002°
γ	90°
Cell volume	3629.4 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0429
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0795
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
179519 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/16.	4341649.cif
127386	2014-11-16	cif/ Adding structures of 4341644, 4341645, 4341646, 4341647, 4341648, 4341649, 4341650, 4341651 via cif-deposit CGI script.	4341649.cif