Crystallography Open Database

Information card for entry 1560715

Preview

Coordinates	1560715.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H4 Cu N8 O4
Calculated formula	C2 H4 Cu N8 O4
SMILES	[Cu]12([n]3c4c5n(O1)nn[n]5[Cu]([OH2])([OH2])On4nn3)([OH2])([OH2])On1c(nnn1)c1n(nn[n]21)[O-]
Title of publication	Design and synthesis of two energetic coordination polymers based on copper ion and 1H,1′H-[5,5′-bitetrazole]-1,1′-diol: A comparative study of the structure-property relationships
Authors of publication	Guo, Zhaoqi; Liu, Xuemin; Chen, Xiang; Zhang, Cong; Yang, Guoping; Zhang, Yazhou; Ma, Haixia
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	268
Pages of publication	55 - 61
a	6.255 ± 0.004 Å
b	10.925 ± 0.006 Å
c	5.352 ± 0.003 Å
α	90°
β	91.592 ± 0.01°
γ	90°
Cell volume	365.6 ± 0.4 Å³
Cell temperature	296 K
Ambient diffraction temperature	296.15 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	0.0728
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
262310 (current)	2021-02-27	cif/ Adding structures of 1560715, 1560716 via cif-deposit CGI script.	1560715.cif