Crystallography Open Database

Information card for entry 4316478

Preview

Coordinates	4316478.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 Au2 B Cl8 Cu F4 N2 P2
Calculated formula	C36 H30 Au2 B Cl8 Cu F4 N2 P2
SMILES	[Au](Cl)[P](c1ccccc1)(c1ccccc1)c1cccc[n]1[Cu][n]1c([P]([Au]Cl)(c2ccccc2)c2ccccc2)cccc1.[B](F)(F)(F)[F-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
Title of publication	Heteropolynuclear Gold Complexes with Metallophilic Interactions: Modulation of the Luminescent Properties
Authors of publication	Maria José Calhorda; Carmen Ceamanos; Olga Crespo; M. Concepción Gimeno; Antonio Laguna; Carmen Larraz; Pedro D. Vaz; M. Dolores Villacampa
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	8255 - 8269
a	13.1758 ± 0.0009 Å
b	15.0406 ± 0.001 Å
c	22.4936 ± 0.0015 Å
α	90°
β	101.684 ± 0.001°
γ	90°
Cell volume	4365.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
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	0.0614
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
179244 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/64.	4316478.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316478.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316478.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4316478.cif
9679	2011-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4316478 via cif-deposit CGI script.	4316478.cif