Crystallography Open Database

Information card for entry 4003398

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Coordinates	4003398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H27 N5 Ni1.5 O13.5
Calculated formula	C19 H23 N5 Ni1.5 O14
Title of publication	Modulation of Magnetic Behavior and Hg2+ Removal by Solvent-Assisted Linker Exchange Based on a Water-Stable 3D MOF
Authors of publication	Shao, Zhichao; Huang, Chao; Dang, Jian; Wu, Qiong; Liu, Yeye; Ding, Jie; Hou, Hongwei
Journal of publication	Chemistry of Materials
Year of publication	2018
Journal volume	30
Journal issue	21
Pages of publication	7979
a	30.511 ± 0.011 Å
b	10.034 ± 0.003 Å
c	22.747 ± 0.007 Å
α	90°
β	124.442 ± 0.014°
γ	90°
Cell volume	5743 ± 3 Å³
Cell temperature	293 ± 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	0.058
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1646
Weighted residual factors for all reflections included in the refinement	0.1729
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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