Crystallography Open Database

Information card for entry 4334489

Preview

Coordinates	4334489.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H39 Cl F6 N3 P3 Ru
Calculated formula	C32 H39 Cl F6 N3 P3 Ru
Title of publication	cis-1,3,5-Triaminocyclohexane as a Facially Capping Ligand for Ruthenium(II)
Authors of publication	Aimee J. Gamble; Jason M. Lynam; Robert J. Thatcher; Paul H. Walton; Adrian C. Whitwood
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4517 - 4527
a	18.955 ± 0.0007 Å
b	18.955 ± 0.0007 Å
c	16.9765 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	5282.3 ± 0.3 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	7
Space group number	158
Hermann-Mauguin space group symbol	P 3 c 1
Hall space group symbol	P 3 -2"c
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179447 (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 4/33/44.	4334489.cif
100316	2014-02-04	cif/ Adding structures of 4334489 via cif-deposit CGI script.	4334489.cif