Crystallography Open Database

Information card for entry 4068584

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Structure parameters

Formula	C32 H37 Cl3 N2 O0.5 P Ru
Calculated formula	C32 H37 Cl3 N2 O0.5 P Ru
Title of publication	Template Synthesis of Ruthenium Complexes with Saturated and Benzannulated NH,NH-Stabilized N-Heterocyclic Carbene Ligands
Authors of publication	Kaufhold, Oliver; Flores-Figueroa, Aarón; Pape, Tania; Hahn, F. Ekkehardt
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	3
Pages of publication	896
a	12.202 ± 0.003 Å
b	12.792 ± 0.003 Å
c	12.965 ± 0.003 Å
α	68.867 ± 0.004°
β	62.535 ± 0.003°
γ	72.561 ± 0.004°
Cell volume	1652.9 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1367
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for significantly intense reflections	0.1326
Weighted residual factors for all reflections included in the refinement	0.1517
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
301829 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure.	4068584.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.	4068584.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068584.cif
39888	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068584 via cif-deposit CGI script.	4068584.cif