Crystallography Open Database

Information card for entry 7025404

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Structure parameters

Formula	C25 H18 Cu N7 O10
Calculated formula	C25 H18 Cu N7 O10
Title of publication	Coordination-driven self-assembly of discrete and polymeric copper(ii) and dicopper(ii) supramolecular structures based on oxacalix[2]benzene[2]pyrazines.
Authors of publication	Li, Xiao-Yan; Liu, Long-Qing; Ma, Ming-Liang; Zhao, Xiao-Li; Wen, Ke
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	37
Pages of publication	8646 - 8651
a	9.2199 ± 0.0002 Å
b	10.8679 ± 0.0002 Å
c	13.2317 ± 0.0003 Å
α	85.351 ± 0.001°
β	88.127 ± 0.001°
γ	83.69 ± 0.001°
Cell volume	1313.08 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0715
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7025404.cif
179960	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 7/02/54.	7025404.cif
93025	2014-01-12	cif/ Adding structures of 7025404, 7025405, 7025406, 7025407 via cif-deposit CGI script.	7025404.cif