Crystallography Open Database

Information card for entry 4311522

Preview

Coordinates	4311522.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	8
Formula	C42 H40 B2 F8 Hg N8
Calculated formula	C42 H40 B2 F8 Hg N8
SMILES	[Hg](=C1N(C=CN1Cc1ncccc1)Cc1ncccc1)=C1N(C=CN1Cc1ncccc1)Cc1ncccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].c1ccccc1.c1ccccc1
Title of publication	Pyridine Substituted N-Heterocyclic Carbene Ligands as Supports for Au(I)-Ag(I) Interactions: Formation of a Chiral Coordination Polymer
Authors of publication	Vincent J. Catalano; Mark A. Malwitz; Anthony O. Etogo
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	5714 - 5724
a	11.224 ± 0.007 Å
b	11.666 ± 0.002 Å
c	18.096 ± 0.004 Å
α	88.07 ± 0.02°
β	82.92 ± 0.03°
γ	68.24 ± 0.04°
Cell volume	2183.7 ± 1.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.067
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
179154 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/15.	4311522.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311522.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311522.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4311522.cif
3021	2010-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4311522 via cif-deposit CGI script.	4311522.cif