Crystallography Open Database

Information card for entry 4003392

Preview

Coordinates	4003392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H24 N3 Ni1.5 O13
Calculated formula	C19 H22 N3 Ni1.5 O13
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	28.71 ± 0.011 Å
b	10.017 ± 0.003 Å
c	22.795 ± 0.006 Å
α	90°
β	131.263 ± 0.012°
γ	90°
Cell volume	4928 ± 3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0598
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1603
Weighted residual factors for all reflections included in the refinement	0.1697
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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