Crystallography Open Database

Information card for entry 4333795

Preview

Coordinates	4333795.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H35 Cl4 N4 O P Ru
Calculated formula	C28 H35 Cl4 N4 O P Ru
Title of publication	Hemilabile β-Aminophosphine Ligands Derived from 1,3,5-Triaza-7-phosphaadamantane: Application in Aqueous Ruthenium Catalyzed Nitrile Hydration
Authors of publication	Wei-Chih Lee; Jeremiah M. Sears; Raphel A. Enow; Kelly Eads; Donald A. Krogstad; Brian J. Frost
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	1737 - 1746
a	12.413 ± 0.0002 Å
b	20.2421 ± 0.0003 Å
c	23.485 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5900.96 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0578
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0764
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179440 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/37.	4333795.cif
99602	2014-02-03	cif/ Adding structures of 4333795 via cif-deposit CGI script.	4333795.cif