Crystallography Open Database

Information card for entry 4078709

Preview

Coordinates	4078709.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H42 Cl F6 N3 Ni P Rh S2
Calculated formula	C23 H42 Cl F6 N3 Ni P Rh S2
SMILES	[Rh]12345(Cl)([S]6[Ni]789[S]1CC[N]18CC[N]7(CC6)CC[N]9(CC1)C(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-]
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	26.689 ± 0.015 Å
b	53.49 ± 0.03 Å
c	8.506 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	12143 ± 12 Å³
Cell temperature	393 K
Ambient diffraction temperature	393 K
Number of distinct elements	9
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for all reflections included in the refinement	0.1476
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71075 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.	4078709.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078709.cif
66371	2012-09-09	cif/ Adding structures of 4078706, 4078707, 4078708, 4078709, 4078710, 4078711, 4078712 via cif-deposit CGI script.	4078709.cif