Crystallography Open Database

Information card for entry 4333275

Preview

Coordinates	4333275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H42 Cl3 O4 P3 Ru
Calculated formula	C41 H42 Cl3 O4 P3 Ru
SMILES	[RuH](Cl)([P](c1ccccc1)(c1ccccc1)CO)([P](c1ccccc1)(c1ccccc1)CO)([P](c1ccccc1)(c1ccccc1)CO)C#[O].ClCCl
Title of publication	Synthesis of ruthenium(II) complexes containing hydroxymethylphosphines and their catalytic activities for hydrogenation of supercritical carbon dioxide.
Authors of publication	Kayaki, Yoshihito; Shimokawatoko, Yoshiki; Ikariya, Takao
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	14
Pages of publication	5791 - 5797
a	12.699 ± 0.004 Å
b	20.24 ± 0.006 Å
c	15.276 ± 0.005 Å
α	90°
β	96.06 ± 0.003°
γ	90°
Cell volume	3904 ± 2 Å³
Cell temperature	173.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.039
Weighted residual factors for all reflections included in the refinement	0.108
Goodness-of-fit parameter for all reflections included in the refinement	0.991
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4333275.cif
116769	2014-06-13	cif/ Updating files of 4333275, 4333276, 4333277 Original log message: Adding full bibliography for 4333275--4333277.cif.	4333275.cif
98896	2014-01-30	cif/ Adding structures of 4333275 via cif-deposit CGI script.	4333275.cif