Crystallography Open Database

Information card for entry 4311523

Preview

Coordinates	4311523.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	9.C6H6.CH3CN
Formula	C54 H45 F12 Hg N9 P2
Calculated formula	C54 H45 F12 Hg N9 P2
SMILES	[Hg](=C1N(C=CN1Cc1nc2c(cc1)cccc2)Cc1nc2c(cc1)cccc2)=C1N(C=CN1Cc1nc2c(cc1)cccc2)Cc1nc2c(cc1)cccc2.c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
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	13.489 ± 0.003 Å
b	28.657 ± 0.006 Å
c	15.063 ± 0.002 Å
α	90°
β	116.552 ± 0.008°
γ	90°
Cell volume	5208.5 ± 1.8 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0568
Weighted residual factors for all reflections included in the refinement	0.0593
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	4311523.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311523.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311523.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.	4311523.cif
3022	2010-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4311523 via cif-deposit CGI script.	4311523.cif