Crystallography Open Database

Information card for entry 4075777

Preview

Coordinates	4075777.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C91 H82 B Cl4 N4 O4 P4 Rh4
Calculated formula	C90 H71 B Cl4 N4 O4 P4 Rh4
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	17.875 ± 0.001 Å
b	18.877 ± 0.001 Å
c	13.774 ± 0.001 Å
α	103.703 ± 0.003°
β	97.179 ± 0.004°
γ	105.748 ± 0.005°
Cell volume	4256 ± 0.5 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	0.0664
Weighted residual factors for all reflections included in the refinement	0.1792
Goodness-of-fit parameter for all reflections included in the refinement	1.169
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.	4075777.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075777.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.	4075777.cif