Crystallography Open Database

Information card for entry 7021139

Preview

Coordinates	7021139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 Au F18 N8 P3
Calculated formula	C30 H30 Au F18 N8 P3
SMILES	[Au]1=C2N3C=CN2Cn2c[n+](cc2)Cc2ccccc2CN2C=1N(C=C2)Cn1c[n+](cc1)Cc1ccccc1C3.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Synthesis of polynuclear Ag(i) and Au(i) complexes from macrocyclic tetraimidazolium salts.
Authors of publication	Schulte To Brinke, Christian; Pape, Tania; Hahn, F. Ekkehardt
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	20
Pages of publication	7330 - 7337
a	10.0766 ± 0.0004 Å
b	13.1939 ± 0.0005 Å
c	15.1674 ± 0.0006 Å
α	108.111 ± 0.001°
β	90.968 ± 0.001°
γ	101.273 ± 0.001°
Cell volume	1873.08 ± 0.13 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0464
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0765
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
179916 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/11.	7021139.cif
86041	2013-05-09	cif/ Adding structures of 7021135, 7021136, 7021137, 7021138, 7021139, 7021140 via cif-deposit CGI script.	7021139.cif