Crystallography Open Database

Information card for entry 4075774

Preview

Coordinates	4075774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H29 Cl4 Mn N2 O7 P2 Rh2
Calculated formula	C38 H25 Cl4 Mn N2 O7 P2 Rh2
SMILES	[Rh]1234([Mn]56([Rh]7([P](Cc8[n]7n2c(c8)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])([C]35=O)C6=O)(C#[O])(C#[O])C4=O)C#[O].ClCCl.ClCCl
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	13.1441 ± 0.0001 Å
b	14.5146 ± 0.0004 Å
c	13.0817 ± 0.0003 Å
α	96.136 ± 0.001°
β	115.051 ± 0.001°
γ	68.505 ± 0.002°
Cell volume	2100.27 ± 0.08 Å³
Cell temperature	213.2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for all reflections included in the refinement	0.1769
Goodness-of-fit parameter for all reflections included in the refinement	1.273
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.	4075774.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075774.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.	4075774.cif