Crystallography Open Database

Information card for entry 2021840

2021839 << 2021840 >> 2021841

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Structure parameters

Chemical name	Poly[[diaqiabis(μ-4,4'-bipyridine)bis{μ~3~-5-[(2-carboxyphenoxy)methyl]isophthalato}tricadmium(III)] dimethylformamide monosolvate 2.5-hydrate]
Formula	C58 H62 Cd3 N6 O23
Calculated formula	C52 H38 Cd3 N4 O16
Title of publication	A novel (3,6)-connected Cd^II^ coordination polymer based on an ether-linked tricarboxylate ligand: synthesis, topology and luminescence sensing properties in aqueous solution
Authors of publication	Yu, Yu'e; Chen, Yuqian; Mi, Xiuna; Wang, Suna; Lu, Jing
Journal of publication	Acta Crystallographica Section C
Year of publication	2019
Journal volume	75
Journal issue	12
a	16.2511 ± 0.0014 Å
b	11.612 ± 0.0011 Å
c	20.2609 ± 0.0018 Å
α	90°
β	124.02 ± 0.005°
γ	90°
Cell volume	3169 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1074
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.1652
Weighted residual factors for all reflections included in the refinement	0.1791
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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