Crystallography Open Database

Information card for entry 8107440

Preview

Coordinates	8107440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 N6 O8 Zn
Calculated formula	C22 H26 N6 O8 Zn
Title of publication	Crystal structure of bis(dimethylammonium) poly[{μ4-1,1ʹ-(1,4-phenylenebis(methylene))bis(1H-pyrazole-3,5-dicarboxylato)-κ6 N 4 O 2}zinc(II)], C22H26N6O8Zn
Authors of publication	Xia, Yu-Pei; Huang, Yu-Xin
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	2
Pages of publication	359 - 360
a	10.982 ± 0.0008 Å
b	10.526 ± 0.0007 Å
c	12.098 ± 0.0011 Å
α	90°
β	118.661 ± 0.002°
γ	90°
Cell volume	1227.13 ± 0.17 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 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	0.049
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1101
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation probe	x-ray
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
285106 (current)	2023-07-10	cif/ Adding structures of 8107440 via cif-deposit CGI script.	8107440.cif