Crystallography Open Database

Information card for entry 4063418

Preview

Coordinates	4063418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48.5 H60.5 Au3 F18 N13.5 O P3
Calculated formula	C48.5 H48 Au3 F18 N13.5 O P3
Title of publication	Supramolecular Structures from Polycarbene Ligands and Transition Metal Ions
Authors of publication	Rit, Arnab; Pape, Tania; Hepp, Alexander; Hahn, F. Ekkehardt
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	2
Pages of publication	334 - 347
a	15.02 ± 0.002 Å
b	21.071 ± 0.003 Å
c	22.15 ± 0.003 Å
α	90°
β	90.546 ± 0.002°
γ	90°
Cell volume	7009.9 ± 1.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0605
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.1135
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
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.	4063418.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063418.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063418.cif
19019	2011-05-06	../uploads/cif-deposit/cod/cif Adding structures of 4063418 via cif-deposit CGI script.	4063418.cif