Crystallography Open Database

Information card for entry 4332358

Preview

Coordinates	4332358.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H98 Cl6 N4 O P8 Pd2 Pt
Calculated formula	C92 H84 Cl6 N4 O P8 Pd2 Pt
SMILES	[Pt](Cl)(Cl)([P](CC[P]12[Pd](Cl)([P](CC1)(c1ccccc1)c1ccccc1)[P](CC2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](CC[P]12[Pd](Cl)([P](CC1)(c1ccccc1)c1ccccc1)[P](CC2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[Cl-].O.N#CC.N#CC.N#CC.N#CC
Title of publication	Stereoselective Preparation, Structures, and Reactivities of Phosphine-Bridged Mixed-Metal Trinuclear and Pentanuclear Complexes with Tris[2-(diphenylphosphino)ethyl]phosphine
Authors of publication	Aizawa, Sen-ichi; Saito, Kenji; Kawamoto, Tatsuya; Matsumoto, Emi
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	12
Pages of publication	4859 - 4866
a	20.121 ± 0.006 Å
b	27.8 ± 0.01 Å
c	18.758 ± 0.005 Å
α	90°
β	114.06 ± 0.02°
γ	90°
Cell volume	9581 ± 5 Å³
Cell temperature	296.1 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.052
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.726
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.	4332358.cif
98261	2014-01-29	cif/ Adding structures of 4332356, 4332357, 4332358 via cif-deposit CGI script.	4332358.cif