Crystallography Open Database

Information card for entry 2018410

2018409 << 2018410 >> 2018411

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Structure parameters

Chemical name	poly[ammine-μ~3~-malonato-cadmium(II)]
Formula	C3 H5 Cd N O4
Calculated formula	C3 H5 Cd N O4
Title of publication	A novel three-dimensional Cd^II^ metal‒organic framework based on [Cd~6~(malonate)~6~] metallomacrocycles with zeolite SOD (sodalite) topology: poly[ammine-μ~3~-malonato-cadmium(II)]
Authors of publication	Yuan, Shuai; Liu, Mei-Jiao; Xie, Han-Yi; Xu, Meng-Zhen; Sun, Di
Journal of publication	Acta Crystallographica Section C
Year of publication	2012
Journal volume	68
Journal issue	3
Pages of publication	m57 - m60
a	17.3662 ± 0.0008 Å
b	17.3662 ± 0.0008 Å
c	11.4425 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	2988.6 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0146
Residual factor for significantly intense reflections	0.0139
Weighted residual factors for significantly intense reflections	0.0349
Weighted residual factors for all reflections included in the refinement	0.0354
Goodness-of-fit parameter for all reflections included in the refinement	1.127
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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