Crystallography Open Database

Information card for entry 7040758

Preview

Coordinates	7040758.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H4 Cu2 N16 O2
Calculated formula	C4 H4 Cu2 N16 O2
Title of publication	Synthesis, structure and characterization of neutral coordination polymers of 5,5'-bistetrazole with copper(ii), zinc(ii) and cadmium(ii): a new route to reconcile oxygen balance and nitrogen content of high-energy MOFs.
Authors of publication	Chen, Sitong; Zhang, Bo; Yang, Li; Wang, Lin; Zhang, Tonglai
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	42
Pages of publication	16779 - 16783
a	11.32 ± 0.003 Å
b	7.635 ± 0.003 Å
c	8.702 ± 0.003 Å
α	90°
β	129.88 ± 0.02°
γ	90°
Cell volume	577.2 ± 0.4 Å³
Cell temperature	153.15 K
Ambient diffraction temperature	153.15 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	0.0303
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0606
Weighted residual factors for all reflections included in the refinement	0.0622
Goodness-of-fit parameter for all reflections included in the refinement	1.141
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
188229 (current)	2016-11-08	cif/ Updating files of 7040758, 7040759, 7040760 Original log message: Adding full bibliography for 7040758--7040760.cif.	7040758.cif
186831	2016-09-29	cif/ Adding structures of 7040758, 7040759, 7040760 via cif-deposit CGI script.	7040758.cif