Crystallography Open Database

Information card for entry 4333796

Preview

Coordinates	4333796.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H35 Cl F6 N4 P2 Ru
Calculated formula	C32 H35 Cl F6 N4 P2 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	10.0947 ± 0.0003 Å
b	28.9462 ± 0.0007 Å
c	11.8438 ± 0.0003 Å
α	90°
β	112.996 ± 0.001°
γ	90°
Cell volume	3185.77 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0349
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.0812
Goodness-of-fit parameter for all reflections included in the refinement	1.128
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.	4333796.cif
99603	2014-02-03	cif/ Adding structures of 4333796 via cif-deposit CGI script.	4333796.cif