Crystallography Open Database

Information card for entry 4303008

Preview

Coordinates	4303008.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C432 H340 Cl44 Cu6 F36 N24 P6
Calculated formula	C479 H108 Cl49 Cu6 F36 N24 P6
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	23.226 ± 0.009 Å
b	29.228 ± 0.011 Å
c	64.59 ± 0.03 Å
α	90°
β	97.852 ± 0.018°
γ	90°
Cell volume	43436 ± 3 Å³
Cell temperature	166 ± 2 K
Ambient diffraction temperature	166 ± 2 K
Number of distinct elements	7
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	0.199
Residual factor for significantly intense reflections	0.1501
Weighted residual factors for significantly intense reflections	0.3214
Weighted residual factors for all reflections included in the refinement	0.3488
Goodness-of-fit parameter for all reflections included in the refinement	2.053
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.	4303008.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303008.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303008.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303008.cif