Crystallography Open Database

Information card for entry 4307751

Preview

Coordinates	4307751.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22.5 Cu Gd1.5 N6 O20
Calculated formula	C18 H6 Cu Gd1.5 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	12.6203 ± 0.0011 Å
b	12.6203 ± 0.0011 Å
c	9.4547 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	1304.1 ± 0.3 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	0.0488
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.0755
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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