Crystallography Open Database

Information card for entry 7020809

7020808 << 7020809 >> 7020810

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Structure parameters

Formula	C14 H19 Cl Cu2 N2 O11
Calculated formula	C14 H19 Cl Cu2 N2 O11
Title of publication	Tuning the interactions from antiferro- to ferro-magnetic by molecular tailoring and manipulating
Authors of publication	Zhang, Xiaoying; Li, Bo; Tang, Jinkui; Tian, Jumei; Huang, Guolong; Zhang, Jingping
Journal of publication	Dalton Transactions
Year of publication	2013
Journal volume	42
Journal issue	10
Pages of publication	3308
a	21.9919 ± 0.0018 Å
b	13.5763 ± 0.0005 Å
c	16.966 ± 0.002 Å
α	90°
β	120.092 ± 0.014°
γ	90°
Cell volume	4382.8 ± 0.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0628
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1105
Weighted residual factors for all reflections included in the refinement	0.1146
Goodness-of-fit parameter for all reflections included in the refinement	0.928
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7020809.cif
179913	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/08.	7020809.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020809.cif
73674	2013-02-21	cif/ Adding structures of 7020806, 7020807, 7020808, 7020809 via cif-deposit CGI script.	7020809.cif