Crystallography Open Database

Information card for entry 1512732

Preview

Coordinates	1512732.cif

Structure parameters

Formula	C54 H81 Cu4 K6 N4 O39.5
Calculated formula	C54 H81 Cu4 K6 N4 O39.5
Title of publication	Synthesis, crystal structure, magnetic and electrochemical studies of two copper complexes with carboxylate rich dinucleating ligand
Authors of publication	Rebecca A. Joy; Hadi Arman; Shengchang Xiang; Ghezai T. Musie
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	393
Pages of publication	220 - 228
a	9.4973 ± 0.0008 Å
b	11.6634 ± 0.0011 Å
c	18.21 ± 0.0017 Å
α	97.91 ± 0.006°
β	100.74 ± 0.007°
γ	109.9 ± 0.007°
Cell volume	1818.8 ± 0.3 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0316
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0846
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1512732.cif
90807	2013-11-18	cif/ Adding structures of 1512732 via cif-deposit CGI script.	1512732.cif