Crystallography Open Database

Information card for entry 8106894

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Coordinates	8106894.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena[diaqua-(bis(μ~2~-1,3-bis((1<i>H</i>tetrazol-1-yl) methyl)benzene-κ^2^<i>N</i>:<i>N</i>')copper(II)] dinitrate
Formula	C20 H24 Cu N18 O8
Calculated formula	C20 H24 Cu N18 O8
Title of publication	Crystal structure of catena[diaqua-bis(μ 2-1,3-bis((1H-tetrazol-1-yl)methyl)benzene-κ2 N:N′)copper(II)] dinitrate, C20H24CuN18O8
Authors of publication	Yang, Zhi-Jun; Ni, Tian-Jun; He, Guang-Jie
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	2
Pages of publication	419 - 421
a	8.033 ± 0.004 Å
b	9.641 ± 0.005 Å
c	10.724 ± 0.005 Å
α	77.318 ± 0.005°
β	68.181 ± 0.005°
γ	69.813 ± 0.005°
Cell volume	719.7 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0311
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0726
Weighted residual factors for all reflections included in the refinement	0.074
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
281767 (current)	2023-03-09	cif/ Adding structures of 8106894 via cif-deposit CGI script.	8106894.cif