Crystallography Open Database

Information card for entry 1512448

Preview

Coordinates	1512448.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H19 F12 N5 P2
Calculated formula	C15 H19 F12 N5 P2
SMILES	[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].n1(C)cc[n+](c1)Cc1nc(ccc1)Cn1c[n+](cc1)C
Title of publication	Mercury(II)- and silver(I)-N-heterocyclic carbene complexes of CNC pincer-type ligands: Synthesis, crystal structures and Hofmann-type elimination studies
Authors of publication	Srinivasa Budagumpi; Rosenani A. Haque; Abbas Washeel Salman; Mohammed Z. Ghdhayeb
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	392
Pages of publication	61 - 72
a	9.4018 ± 0.0002 Å
b	18.2059 ± 0.0004 Å
c	25.6928 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4397.79 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0663
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.0894
Weighted residual factors for all reflections included in the refinement	0.0991
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512448.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512448.cif
89377	2013-10-24	cif/ Adding structures of 1512448 via cif-deposit CGI script.	1512448.cif