Crystallography Open Database

Information card for entry 8105479

Preview

Coordinates	8105479.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-poly[bis-(3,5-dinitro-1,2,4-triazolato-?^2^<i>N</i>^1^:<i>O</i>^1^)- (μ~2~-1,4-bis(1-imidazolyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3^)copper(II)]
Formula	C16 H10 Cu N14 O8
Calculated formula	C16 H10 Cu N14 O8
Title of publication	The crystal structure of catena-poly[bis-(3,5-dinitro-1,2,4-triazolato-κ2 N:O)-(μ2-1,4-bis(1-imidazolyl)benzene-κ2 N:N′)copper(II)], C16H10CuN14O8
Authors of publication	Yajin, Li; Wuxi, Xie; Kuanguang, Song; Yu, Zhao
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	6
Pages of publication	1407 - 1408
a	13.4851 ± 0.0013 Å
b	12.3808 ± 0.0012 Å
c	13.2151 ± 0.0013 Å
α	90°
β	97.304 ± 0.001°
γ	90°
Cell volume	2188.4 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.1063
Weighted residual factors for all reflections included in the refinement	0.1127
Goodness-of-fit parameter for all reflections included in the refinement	0.928
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
276185 (current)	2022-06-23	cif/ Adding structures of 8105479 via cif-deposit CGI script.	8105479.cif