Crystallography Open Database

Information card for entry 8106991

Preview

Coordinates	8106991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 N6 O5 Zn
Calculated formula	C28 H22 N6 O5 Zn
Title of publication	Crystal structure of catena-poly[(μ3-5-(4-(tetrazol-1-id-5-yl)phenoxy)benzene-1,3-dicarboxyato-κ3 O:O′:N)(4-(3-(pyridin-4-yl)propyl)pyridinium-κN)zinc(II)], C28H22ZnN6O5
Authors of publication	Miao, Juan; Wei, Xue-Feng; Shi, Ling-Ling
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	3
Pages of publication	737 - 739
a	9.94 ± 0.0009 Å
b	10.1638 ± 0.0008 Å
c	13.0867 ± 0.0011 Å
α	97.678 ± 0.007°
β	94.73 ± 0.007°
γ	98.694 ± 0.007°
Cell volume	1288.09 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1072
Residual factor for significantly intense reflections	0.0692
Weighted residual factors for significantly intense reflections	0.1404
Weighted residual factors for all reflections included in the refinement	0.1587
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
282198 (current)	2023-04-03	cif/ Adding structures of 8106991 via cif-deposit CGI script.	8106991.cif