Crystallography Open Database

Information card for entry 2021937

2021936 << 2021937 >> 2021938

Preview

Coordinates	2021937.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[[tris{μ-1,3-bis[(imidazol-1-yl)methyl]benzene}bis[μ~3~-4,4',4''-(1,3,5-triazine-2,4,6-triyl)tribenzoato]trizinc(II)] dimethylformamide disolvate trihydrate]
Formula	C96 H86 N20 O17 Zn3
Calculated formula	C96 H84 N20 O17 Zn3
Title of publication	A self-penetrated three-dimensional zinc(II) coordination framework based on 4,4',4''-(1,3,5-triazine-2,4,6-triyl)tribenzoic acid and 1,3-bis[(imidazol-1-yl)methyl]benzene ligands: synthesis, structure and properties
Authors of publication	Wang, Saier; Bi, Rong; Liu, Jiadi; Shi, Ying; Wang, Kuaibing; Mao, Feifei; Wu, Hua
Journal of publication	Acta Crystallographica Section C
Year of publication	2020
Journal volume	76
Journal issue	1
Pages of publication	10 - 16
a	16.908 ± 0.0011 Å
b	8.432 ± 0.0006 Å
c	34.872 ± 0.003 Å
α	90°
β	102.782 ± 0.002°
γ	90°
Cell volume	4848.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0635
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1575
Weighted residual factors for all reflections included in the refinement	0.1616
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
246408 (current)	2020-01-01	cif/ hkl/ Adding structures of 2021937 via cif-deposit CGI script.	2021937.cif