Crystallography Open Database

Information card for entry 2021963

2021962 << 2021963 >> 2021964

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Structure parameters

Chemical name	Poly[[{μ~2~-1,4-bis[(2-methyl-1<i>H</i>-imidazol-1-yl)methyl]benzene}(μ~2~-glutarato)zinc(II)] tetrahydrate]
Formula	C21 H32 N4 O8 Zn
Calculated formula	C21 H32 N4 O8 Zn
Title of publication	Two new Ni^II^ and Zn^II^ metal‒organic frameworks of glutarate and 1,4-bis[(2-methyl-1<i>H</i>-imidazol-1-yl)methyl]benzene ligands: syntheses, structures and luminescence sensing properties
Authors of publication	Zhao, Fang-Hua; Li, Zhong-Lin; Zhang, Shu-Fang; Han, Jian-Hui; Zhang, Mei; Han, Jun; Lin, Yu-Wen; You, Jin-Mao
Journal of publication	Acta Crystallographica Section C
Year of publication	2020
Journal volume	76
Journal issue	2
a	9.6488 ± 0.0005 Å
b	17.7245 ± 0.0012 Å
c	14.9109 ± 0.001 Å
α	90°
β	96.47 ± 0.002°
γ	90°
Cell volume	2533.8 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0849
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
246950 (current)	2020-01-17	cif/ hkl/ Adding structures of 2021962, 2021963 via cif-deposit CGI script.	2021963.cif 2021963.hkl