Crystallography Open Database

Information card for entry 4307749

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Coordinates	4307749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22.5 Cu La1.5 N6 O20
Calculated formula	C18 H6 Cu La1.48 N6 O19.98
Title of publication	Novel 3D LnIII-CuI Supramolecular Architecture Based on 2D MOFs with (6,3) Topology
Authors of publication	Feng-Qin Wang; Xiang-Jun Zheng; Yong-Hong Wan; Chang-Yan Sun; Zhe-Ming Wang; Ke-Zhi Wang; Lin-Pei Jin
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	2956 - 2958
a	12.814 ± 0.004 Å
b	12.814 ± 0.004 Å
c	9.338 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	1327.9 ± 0.8 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.0606
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1028
Weighted residual factors for all reflections included in the refinement	0.1087
Goodness-of-fit parameter for all reflections included in the refinement	1.221
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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