Crystallography Open Database

Information card for entry 4309816

Preview

Coordinates	4309816.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H148 Cu8 N16 O34
Calculated formula	C72 H148 Cu8 N16 O34
Title of publication	Syntheses, Structures, and Magnetic Properties of Unusual Nonlinear Polynuclear Copper(II) Complexes Containing Derivatives of 1,2,4-Triazole and Pivalate Ligands
Authors of publication	Jian-Hao Zhou; Ru-Mei Cheng; You Song; Yi-Zhi Li; Zhi Yu; Xue-Tai Chen; Zi-Ling Xue; Xiao-Zeng You
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	8011 - 8022
a	13.9418 ± 0.0015 Å
b	19.2427 ± 0.0019 Å
c	11.7282 ± 0.0012 Å
α	90°
β	101.708 ± 0.002°
γ	90°
Cell volume	3081 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1244
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.1534
Weighted residual factors for all reflections included in the refinement	0.1736
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
179136 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/98.	4309816.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309816.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309816.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309816.cif