Crystallography Open Database

Information card for entry 4078494

Preview

Coordinates	4078494.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H40 Cl5 O4 P4 Pd Rh3
Calculated formula	C45 H40 Cl5 O4 P4 Pd Rh3
SMILES	[Pd]123[Cl][Rh]4([Cl][Rh]([Cl]3)([P](C[P]1(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	14.7507 ± 0.0011 Å
b	22.4667 ± 0.0014 Å
c	15.8882 ± 0.0013 Å
α	90°
β	113.48 ± 0.003°
γ	90°
Cell volume	4829.4 ± 0.6 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	0.0376
Weighted residual factors for all reflections included in the refinement	0.0772
Goodness-of-fit parameter for all reflections included in the refinement	0.88
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.	4078494.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078494.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.	4078494.cif