Crystallography Open Database

Information card for entry 4303007

Preview

Coordinates	4303007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H36 Cl2 Cu F6 N4 O0 P
Calculated formula	C44 H36 Cl2 Cu F6 N4 P
Title of publication	Cap for Copper(I) Ions! Metallosupramolecular Solid and Solution State Structures on the Basis of the Dynamic Tetrahedral [Cu(phenAr2)(py)2]+ Motif
Authors of publication	Michael Schmittel; Bice He; Jian Fan; Jan W. Bats; Marianne Engeser; Marc Schlosser; Hans-Jörg Deiseroth
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	8192 - 8200
a	24.789 ± 0.004 Å
b	24.789 ± 0.004 Å
c	27.611 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	16967 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.0999
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1473
Weighted residual factors for all reflections included in the refinement	0.1715
Goodness-of-fit parameter for all reflections included in the refinement	0.85
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
179068 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/30.	4303007.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303007.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303007.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.	4303007.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303007.cif