Crystallography Open Database

Information card for entry 4334484

Preview

Coordinates	4334484.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H27 Cl F6 N3 O2 P Ru S2
Calculated formula	C10 H27 Cl F6 N3 O2 P Ru S2
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	14.7124 ± 0.0006 Å
b	15.6131 ± 0.0007 Å
c	17.1848 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3947.5 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	9
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0239
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0588
Weighted residual factors for all reflections included in the refinement	0.059
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
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.	4334484.cif
100311	2014-02-04	cif/ Adding structures of 4334484 via cif-deposit CGI script.	4334484.cif