Crystallography Open Database

Information card for entry 4078495

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Coordinates	4078495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H40 Cl5 O4 P4 Pt Rh3
Calculated formula	C45 H40 Cl5 O4 P4 Pt Rh3
SMILES	[Pt]123[Cl][Rh]4([Cl][Rh]([Cl]1)([P](C[P]3(CCC[P]2(C[P]4(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[O])C#[O].[Rh](Cl)(Cl)(C#[O])C#[O]
Title of publication	Cyclic Trinuclear Rh2M Complexes (M = Rh, Pt, Pd, Ni) Supported bymeso-1,3-Bis[(diphenylphosphinomethyl)phenylphosphino]propane
Authors of publication	Nakajima, Takayuki; Kurai, Sachi; Noda, Sayo; Zouda, Maki; Kure, Bunsho; Tanase, Tomoaki
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	11
Pages of publication	4283
a	14.806 ± 0.005 Å
b	22.404 ± 0.007 Å
c	15.943 ± 0.005 Å
α	90°
β	113.955 ± 0.004°
γ	90°
Cell volume	4833 ± 3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	0.935
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
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.	4078495.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078495.cif
62400	2012-07-07	cif/ Adding structures of 4078492, 4078493, 4078494, 4078495, 4078496, 4078497, 4078498, 4078499, 4078500, 4078501, 4078502, 4078503, 4078504, 4078505 via cif-deposit CGI script.	4078495.cif