Crystallography Open Database

Information card for entry 7106867

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Coordinates	7106867.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H48 Cu3 N6 O12
Calculated formula	C54 H48 Cu3 N6 O12
Title of publication	NbO lattice MOFs based on octahedral M(II) and ditopic pyridyl substituted diketonate ligands: structure, encapsulation and guest-driven luminescent property
Authors of publication	Gui-Ge Hou; Yue Liu; Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	10731
a	26.473 ± 0.004 Å
b	26.473 ± 0.004 Å
c	7.635 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	4633.9 ± 1.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0827
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1146
Weighted residual factors for all reflections included in the refinement	0.1293
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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