Crystallography Open Database

Information card for entry 8107042

Preview

Coordinates	8107042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H34 O32 Zn5
Calculated formula	C20 H34 O32 Zn5
Title of publication	Crystal structure of poly-[tetraaquabis(μ8-benzene-1,2,4,5-tetracarboxylato-1κ3 O 4:O 6:O 8:2κ4 O 2:O 2:O 5:O 5:3κ4 O 1:O 3:O 5:O 7)(di-μ3-hydroxido)-pentazinc(II)] decahydrate, C20H34O32Zn5
Authors of publication	Ma, Fa-Xue; Zhao, Dan; Yang, Rui-Juan; Huang, Min
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	3
Pages of publication	897 - 899
a	7.4196 ± 0.0002 Å
b	16.7276 ± 0.0004 Å
c	15.4905 ± 0.0003 Å
α	90°
β	113.207 ± 0.001°
γ	90°
Cell volume	1767 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0829
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1283
Weighted residual factors for all reflections included in the refinement	0.1432
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
282451 (current)	2023-04-06	cif/ Adding structures of 8107042 via cif-deposit CGI script.	8107042.cif