Crystallography Open Database

Information card for entry 7021138

Preview

Coordinates	7021138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H34 Au2 F12 N10 P2
Calculated formula	C34 H34 Au2 F12 N10 P2
SMILES	[Au]1=C2N3CN4C(=[Au]5)N(C=C4)Cc4c(CN6C=5N(CN5C=1N(Cc1c(CN2C=C3)cccc1)C=C5)C=C6)cccc4.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC
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	13.2635 ± 0.0005 Å
b	21.8591 ± 0.0008 Å
c	26.3883 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	7650.7 ± 0.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0705
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.0888
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	7021138.cif
86041	2013-05-09	cif/ Adding structures of 7021135, 7021136, 7021137, 7021138, 7021139, 7021140 via cif-deposit CGI script.	7021138.cif