Crystallography Open Database

Information card for entry 4078492

Preview

Coordinates	4078492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H40 Cl2 P4 Pd
Calculated formula	C41 H40 Cl2 P4 Pd
SMILES	[Pd]1(Cl)(Cl)[P](CP(c2ccccc2)c2ccccc2)(CCC[P]1(CP(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
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	12.9431 ± 0.0006 Å
b	12.9473 ± 0.0001 Å
c	14.0177 ± 0.0004 Å
α	79.24 ± 0.015°
β	70.22 ± 0.011°
γ	60.124 ± 0.011°
Cell volume	1916.2 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for all reflections included in the refinement	0.0734
Goodness-of-fit parameter for all reflections included in the refinement	0.948
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.	4078492.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078492.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.	4078492.cif