Crystallography Open Database

Information card for entry 4075771

Preview

Coordinates	4075771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H30 N2 O2 P2 Rh2
Calculated formula	C39 H30 N2 O2 P2 Rh2
SMILES	[Rh]12([P](Cc3n1[n]1[Rh]4([P](Cc1c3)(c1ccccc1)c1ccccc1)([C]2#[C]4c1ccccc1)C#[O])(c1ccccc1)c1ccccc1)C#[O]
Title of publication	Polynuclear Rhodium Complexes with Dinucleating PNNP Ligand: Dynamic and Diverse M···M Interactions in [(μ-X)Rh2(PNNP)(CO)2]n+and [(μ4-X)Rh4(PNNP)2(CO)4]n+[X = H, O, C⋮C−R, R−C⋮C−R, C⋮C, CHCH2, SMe2;n= 0, 1: PNNP = 3,5-bis(diphenylphosphinomethyl)pyrazolato]
Authors of publication	Tanaka, Shukichi; Dubs, Christian; Inagaki, Akiko; Akita, Munetaka
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	1
Pages of publication	163
a	22.568 ± 0.001 Å
b	8.5213 ± 0.0003 Å
c	17.8092 ± 0.0005 Å
α	90°
β	97.387 ± 0.002°
γ	90°
Cell volume	3396.4 ± 0.2 Å³
Cell temperature	213.2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	0.734
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4075771.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075771.cif
50660	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075768, 4075769, 4075770, 4075771, 4075772, 4075773, 4075774, 4075775, 4075776, 4075777, 4075778 via cif-deposit CGI script.	4075771.cif