Crystallography Open Database

Information card for entry 7053245

Preview

Coordinates	7053245.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H50 Au2 F12 N14 P2
Calculated formula	C50 H50 Au2 F12 N14 P2
SMILES	[P](F)(F)(F)(F)(F)[F-].C12N3C=CN1Cc1cccc(n1)CN1C=CN(C1=[Au]=C1N4C=CN1Cc1cccc(n1)CN1C=CN(C1=[Au]=2)Cc1ccccc1C4)Cc1ccccc1C3.C(#N)C.C(#N)C.[P](F)(F)(F)(F)(F)[F-].C(#N)C.C(#N)C
Title of publication	Dinuclear complexes of silver(i) and gold(i) with macrocyclic dicarbene ligands bearing a 2,6-lutidinyl bridge: synthesis, structural analysis and dynamic behaviour in solution
Authors of publication	Biffis, Andrea; Cipani, Matteo; Tubaro, Cristina; Basato, Marino; Costante, Michele; Bressan, Edoardo; Venzo, Alfonso; Graiff, Claudia
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	12
Pages of publication	4176
a	10.8843 ± 0.0006 Å
b	11.3235 ± 0.0007 Å
c	12.6353 ± 0.0007 Å
α	72.9578 ± 0.0008°
β	79.9609 ± 0.0009°
γ	69.2499 ± 0.0008°
Cell volume	1387.99 ± 0.14 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 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	0.0374
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.081
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
180086 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/32.	7053245.cif
91653	2013-12-13	cif/ Adding structures of 7053244, 7053245 via cif-deposit CGI script.	7053245.cif