Crystallography Open Database

Information card for entry 4078861

Preview

Coordinates	4078861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H47 Cl2 F6 N8 P Ru
Calculated formula	C30 H47 Cl2 F6 N8 P Ru
Title of publication	Steric Control at the Wingtip of a Bis-N-Heterocyclic Carbene Ligand: Coordination Behavior and Catalytic Responses of Its Ruthenium Compounds
Authors of publication	Saha, Sayantani; Ghatak, Tapas; Saha, Biswajit; Doucet, Henri; Bera, Jitendra K.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	15
Pages of publication	5500
a	9.255 ± 0.004 Å
b	13.765 ± 0.004 Å
c	15.12 ± 0.005 Å
α	79.363 ± 0.005°
β	83.911 ± 0.005°
γ	75.643 ± 0.003°
Cell volume	1830.3 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1107
Residual factor for significantly intense reflections	0.0736
Weighted residual factors for significantly intense reflections	0.1705
Weighted residual factors for all reflections included in the refinement	0.1931
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
178677 (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 4/07/88.	4078861.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078861.cif
66416	2012-09-09	cif/ Adding structures of 4078860, 4078861 via cif-deposit CGI script.	4078861.cif