Crystallography Open Database

Information card for entry 4073805

Preview

Coordinates	4073805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H52 Cl N P2 Ru
Calculated formula	C31 H52 Cl N P2 Ru
SMILES	[RuH2]1(Cl)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)[n]2cccc3c2c2c(cc3)cccc12
Title of publication	Osmium and Ruthenium Complexes Containing an N-Heterocyclic Carbene Ligand Derived from Benzo[h]quinoline
Authors of publication	Esteruelas, Miguel A.; Fernández-Alvarez, Francisco J.; Oñate, Enrique
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	21
Pages of publication	5239
a	10.288 ± 0.003 Å
b	10.544 ± 0.003 Å
c	15.572 ± 0.004 Å
α	93.132 ± 0.005°
β	100.966 ± 0.005°
γ	107.901 ± 0.005°
Cell volume	1566.5 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.0912
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178627 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/38.	4073805.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073805.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073805.cif
46555	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073803, 4073804, 4073805 via cif-deposit CGI script.	4073805.cif