Crystallography Open Database

Information card for entry 7010778

Preview

Coordinates	7010778.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C113 H228 O36.5 P21 Pd59
Calculated formula	C112.742 H228 O36.242 P21 Pd59.258
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	22.7815 ± 0.0003 Å
b	22.7815 ± 0.0003 Å
c	28.0363 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	12601.3 ± 0.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.1187
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1207
Weighted residual factors for all reflections included in the refinement	0.1455
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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.	7010778.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010778.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010778.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010778.cif