Crystallography Open Database

Information card for entry 7220188

7220187 << 7220188 >> 7220189

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Structure parameters

Formula	C36 H48 Cl4 Cu4 N12 O32
Calculated formula	C36 H48 Cl4 Cu4 N12 O32
Title of publication	Unusual magnetic response in π-stacked 66-dia net structure of [4+2] copper(II) cubane
Authors of publication	Chattopadhyay, Shouvik; Das, Mithun; shaw, Bikash kumar; saha, Shyamal Kumar; Ghosh, Biswa Nath; Rissanen, Kari
Journal of publication	RSC Adv.
Year of publication	2015
a	19.0353 ± 0.0006 Å
b	19.0353 ± 0.0006 Å
c	15.4705 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	5605.6 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0681
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1274
Weighted residual factors for all reflections included in the refinement	0.1446
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7220188.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7220188.cif
135752	2015-05-08	cif/ Adding structures of 7220188 via cif-deposit CGI script.	7220188.cif