Crystallography Open Database

Information card for entry 7034682

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Coordinates	7034682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 Cl3 Cu4 N6 O6
Calculated formula	C18 H12 Cl3 Cu4 N6 O6
Title of publication	Solvent-induced secondary building unit (SBU) variations in a series of Cu(ii) metal-organic frameworks derived from a bifunctional ligand.
Authors of publication	Chen, Di-Ming; Ma, Jian-Gong; Cheng, Peng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	19
Pages of publication	8926 - 8931
a	13.3069 ± 0.001 Å
b	25.629 ± 0.002 Å
c	9.856 ± 0.0008 Å
α	90°
β	91.455 ± 0.008°
γ	90°
Cell volume	3360.2 ± 0.5 Å³
Cell temperature	133.2 ± 0.5 K
Ambient diffraction temperature	133.2 ± 0.5 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0353
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0891
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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