Crystallography Open Database

Information card for entry 7025406

Preview

Coordinates	7025406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H6 Cu0.5 N3 O6
Calculated formula	C10 H6 Cu0.5 N3.00333 O6.00667
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	13.0752 ± 0.0003 Å
b	13.0752 ± 0.0003 Å
c	25.2402 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	3736.97 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0951
Residual factor for significantly intense reflections	0.0842
Weighted residual factors for significantly intense reflections	0.2433
Weighted residual factors for all reflections included in the refinement	0.2658
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7025406.cif
93025	2014-01-12	cif/ Adding structures of 7025404, 7025405, 7025406, 7025407 via cif-deposit CGI script.	7025406.cif