Crystallography Open Database

Information card for entry 7219183

7219182 << 7219183 >> 7219184

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Structure parameters

Formula	C14 H17 Cl Cu N2 O8
Calculated formula	C14 H17 Cl Cu N2 O8
Title of publication	Structure, magnetism and catecholase activity of the first dicopper(II) complex having a single μ-alkoxo bridge
Authors of publication	Das, Debasis; Adhikari, Sangita; Banerjee, Arnab; Nandy, Sandip; Fondo, Matilde; Sanmartin, Jesus
Journal of publication	RSC Adv.
Year of publication	2014
a	27.107 ± 0.002 Å
b	42.977 ± 0.002 Å
c	11.7228 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	13656.8 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0418
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0635
Weighted residual factors for all reflections included in the refinement	0.0665
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7219183.cif
180522	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/91.	7219183.cif
129034	2014-12-24	cif/ Adding structures of 7219182, 7219183 via cif-deposit CGI script.	7219183.cif