Crystallography Open Database

Information card for entry 4334520

Preview

Coordinates	4334520.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Pt3(mu-PBut2)3Br3
Formula	C24 H54 Br3 P3 Pt3
Calculated formula	C24 H54 Br3 P3 Pt3
SMILES	[P]1(C(C)(C)C)([Pt]23([P](C(C)(C)C)([Pt]43([P](C(C)(C)C)([Pt]124Br)C(C)(C)C)Br)C(C)(C)C)Br)C(C)(C)C
Title of publication	Unprecedented Tris-Phosphido-Bridged Triangular Clusters with 42 Valence Electrons. Chemical, Electrochemical and Computational Studies of their Formation and Stability
Authors of publication	Tiziana Funaioli; Piero Leoni; Lorella Marchetti; Alberto Albinati; Silvia Rizzato; Fabrizia Fabrizi de Biani; Andrea Ienco; Gabriele Manca; Carlo Mealli
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4635 - 4647
a	11.9553 ± 0.0008 Å
b	11.9553 Å
c	14.656 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	1814.12 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0269
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for significantly intense reflections	0.0431
Weighted residual factors for all reflections included in the refinement	0.0452
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179448 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/45.	4334520.cif
100348	2014-02-04	cif/ Adding structures of 4334520 via cif-deposit CGI script.	4334520.cif