Crystallography Open Database

Information card for entry 7016098

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Coordinates	7016098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 Cu3 N2 O14 S4
Calculated formula	C32 H40 Cu3 N2 O14 S4
Title of publication	Ferromagnetic and antiferromagnetic copper(ii) complexes: Counterplay between zero-field effects of the quartet ground state and intermolecular interactions.
Authors of publication	Boulsourani, Z.; Tangoulis, V.; Raptopoulou, C. P.; Psycharis, V.; Dendrinou-Samara, C
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	31
Pages of publication	7946 - 7956
a	8.6404 ± 0.0002 Å
b	9.8779 ± 0.0003 Å
c	11.6636 ± 0.0002 Å
α	97.771 ± 0.001°
β	98.642 ± 0.001°
γ	94.085 ± 0.001°
Cell volume	970.87 ± 0.04 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.0534
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1459
Weighted residual factors for all reflections included in the refinement	0.1492
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179864 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/60.	7016098.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7016098.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7016098.cif
23631	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7016098, 7016099, 7016100, 7016101 via cif-deposit CGI script.	7016098.cif