Crystallography Open Database

Information card for entry 7020808

7020807 << 7020808 >> 7020809

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Structure parameters

Formula	C14 H17 Cl2 Cu2 N3 O11
Calculated formula	C14 H17 Cl2 Cu2 N3 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	22.645 Å
b	28.612 Å
c	13.161 Å
α	90°
β	90°
γ	90°
Cell volume	8527.26 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0793
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1406
Weighted residual factors for all reflections included in the refinement	0.1531
Goodness-of-fit parameter for all reflections included in the refinement	1.129
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.	7020808.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.	7020808.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020808.cif
73674	2013-02-21	cif/ Adding structures of 7020806, 7020807, 7020808, 7020809 via cif-deposit CGI script.	7020808.cif