Crystallography Open Database

Information card for entry 1512779

Preview

Coordinates	1512779.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H32 Cu3 N14 O14
Calculated formula	C28 H20 Cu3 N14 O15
Title of publication	Structures and magnetism of metal(II) compounds with mixed azide and carboxylate bridges derived from zwitterionic dicarboxylate ligands
Authors of publication	Xiu-Mei Zhang; Dan-Dan Ding; Wei Gao; Jie-Ping Liu
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	494 - 500
a	9.334 ± 0.006 Å
b	29.102 ± 0.018 Å
c	7.702 ± 0.005 Å
α	90°
β	108.395 ± 0.009°
γ	90°
Cell volume	1985 ± 2 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	0.1233
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1468
Weighted residual factors for all reflections included in the refinement	0.1715
Goodness-of-fit parameter for all reflections included in the refinement	0.957
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512779.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512779.cif
90864	2013-11-20	cif/ Adding structures of 1512779 via cif-deposit CGI script.	1512779.cif