Crystallography Open Database

Information card for entry 4078708

Preview

Coordinates	4078708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H52 Cl F3 N3 Ni O6 Rh S4
Calculated formula	C32 H52 Cl F3 N3 Ni O6 Rh S4
SMILES	[Rh]12345(Cl)([S]6[Ni]78[S]1CC[N]18CC[N]7(CC6)CCN(S(=O)(=O)c6ccc(cc6)C)CC1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.S(=O)(=O)([O-])C(F)(F)F.O(CC)CC
Title of publication	Hydride-Bridged NiRh Complexes with Tunable N3S2Dithiolato Ligands and Their Utilization as Catalysts for Hydrogenation of Aldehydes and CO2in Aqueous Media
Authors of publication	Kure, Bunsho; Taniguchi, Ayami; Nakajima, Takayuki; Tanase, Tomoaki
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	13
Pages of publication	4791
a	7.941 ± 0.004 Å
b	21.451 ± 0.011 Å
c	24.46 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	4167 ± 4 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 K
Number of distinct elements	9
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for all reflections included in the refinement	0.2016
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178676 (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 4/07/87.	4078708.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078708.cif
66371	2012-09-09	cif/ Adding structures of 4078706, 4078707, 4078708, 4078709, 4078710, 4078711, 4078712 via cif-deposit CGI script.	4078708.cif