Crystallography Open Database

Information card for entry 4334492

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Structure parameters

Formula	C32 H40 Cl2 N3 O1.5 P2 Ru
Calculated formula	C32 H40 Cl2 N3 O1.5 P2 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	16.9554 ± 0.0003 Å
b	9.90919 ± 0.00014 Å
c	20.2316 ± 0.0005 Å
α	90°
β	113.859 ± 0.003°
γ	90°
Cell volume	3108.71 ± 0.13 Å³
Cell temperature	110 ± 0.1 K
Ambient diffraction temperature	110 ± 0.1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0689
Weighted residual factors for all reflections included in the refinement	0.0737
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4334492.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4334492.cif
100319	2014-02-04	cif/ Adding structures of 4334492 via cif-deposit CGI script.	4334492.cif