Crystallography Open Database

Information card for entry 7010775

Preview

Coordinates	7010775.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62.2 H119.4 Ni3 O22.3 P13 Pd29
Calculated formula	C62.2 H119.4 Ni3 O22.3 P13 Pd29
Title of publication	High-nuclearity palladium carbonyl trimethylphosphine clusters containing unprecedented face-condensed icosahedral-based transition-metal core geometries: proposed growth patterns from a centered Pd13 icosahedron†
Authors of publication	Tran, Nguyet T.; Kawano, Masaki; Dahl, Lawrence F.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	19
Pages of publication	2731
a	16.4877 ± 0.0002 Å
b	16.4877 ± 0.0002 Å
c	38.2484 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	9004.59 ± 0.18 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0372
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0836
Weighted residual factors for all reflections included in the refinement	0.0877
Goodness-of-fit parameter for all reflections included in the refinement	1.19
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7010775.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010775.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010775.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010775.cif