Crystallography Open Database

Information card for entry 7053244

Preview

Coordinates	7053244.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H40 Ag2 F12 N12 P2
Calculated formula	C36 H40 Ag2 F12 N12 P2
SMILES	C12N3C=CN1Cc1cccc(n1)CN1C(=[Ag]=C4N5C=CN4Cc4cccc(n4)CN4C(=[Ag]=2)N(CCC5)C=C4)N(CCC3)C=C1.[P](F)(F)(F)(F)(F)[F-].C(#N)C.[P](F)(F)(F)(F)(F)[F-].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	12.2233 ± 0.0012 Å
b	15.1078 ± 0.0015 Å
c	12.1652 ± 0.0012 Å
α	90°
β	105.227 ± 0.001°
γ	90°
Cell volume	2167.6 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0353
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0822
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	7053244.cif
91653	2013-12-13	cif/ Adding structures of 7053244, 7053245 via cif-deposit CGI script.	7053244.cif