Crystallography Open Database

Information card for entry 8107034

Preview

Coordinates	8107034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H28 Cd N2 O17
Calculated formula	C42 H28 Cd N2 O17
Title of publication	Crystal structure of catena-poly-[aqua(μ2-4,4′-bipyridine-κ2 N:N′)bis(3′,5,5′-tricarboxybiphenyl-2-carboxylato-κ2 O,O′)cadmium(II)], C42H28N2O17Cd
Authors of publication	Xia, Wei; Liu, Peng-Jun; Li, Gui-Juan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	3
Pages of publication	875 - 877
a	11.8533 ± 0.0004 Å
b	7.1975 ± 0.0003 Å
c	23.549 ± 0.0007 Å
α	90°
β	115.181 ± 0.002°
γ	90°
Cell volume	1818.14 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.024
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0601
Weighted residual factors for all reflections included in the refinement	0.0615
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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