Crystallography Open Database

Information card for entry 8102343

Preview

Coordinates	8102343.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C129 H114 Au F6 O12 P7 Pd9
Calculated formula	C129 H114 Au F6.02 O12 P7 Pd9
Title of publication	Crystal structure of nonacarbonylhexakis(triphenylphosphane)nonapalladiumgold hexafluoridophosphate, [Pd~9~Au(CO)~9~(PPh~3~)~6~](PF~6~)
Authors of publication	Willocq, Christopher; Hermans, Sophie; Devillers, Michel; Tinant, Bernard
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	4
Pages of publication	495 - 497
a	22.52 ± 0.004 Å
b	22.52 ± 0.004 Å
c	39.433 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	17319 ± 5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0549
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1287
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
188741 (current)	2016-11-29	cod/ Marking attached hydrogen atoms in entries 4326382, 7222906, 8102343, 9016229.	8102343.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102343.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102343.cif
13082	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102343 via cif-deposit CGI script.	8102343.cif