Crystallography Open Database

Information card for entry 4075769

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Coordinates	4075769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H35 N2 O3 P2 Rh2 Si
Calculated formula	C36 H34 N2 O3 P2 Rh2 Si
SMILES	[Rh]12([P](Cc3n1[n]1[Rh]4([C]([Si](C)(C)C)#[C]24)([P](Cc1c3)(c1ccccc1)c1ccccc1)C#[O])(c1ccccc1)c1ccccc1)C#[O].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	17.66 ± 0.004 Å
b	19.519 ± 0.004 Å
c	11.385 ± 0.002 Å
α	98.98 ± 0.02°
β	89.908 ± 0.007°
γ	65.347 ± 0.004°
Cell volume	3513.3 ± 1.3 Å³
Cell temperature	213.2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.1033
Weighted residual factors for all reflections included in the refinement	0.2692
Goodness-of-fit parameter for all reflections included in the refinement	1.54
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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