Crystallography Open Database

Information card for entry 4327230

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Coordinates	4327230.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38 Cd2 N6 O18
Calculated formula	C28 H18 Cd2 N6 O18
Title of publication	Molecular Tectonics of Mixed-Ligand Metal-Organic Frameworks: Positional Isomeric Effect, Metal-Directed Assembly, and Structural Diversification
Authors of publication	Miao Du; Xiu-Juan Jiang; Xiao-Jun Zhao
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	3984 - 3995
a	15.764 ± 0.0009 Å
b	12.8408 ± 0.0007 Å
c	37.833 ± 0.002 Å
α	90°
β	93.358 ± 0.001°
γ	90°
Cell volume	7645.1 ± 0.7 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0483
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1145
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	Yes
Has F_obs	No

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