Crystallography Open Database

Information card for entry 7712045

7712044 << 7712045 >> 7712046

Preview

Coordinates	7712045.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H5 Cu N11
Calculated formula	C6 H5 Cu N11
Title of publication	Coordination polymerization of nitrogen-rich linkers and dicyanamide anions toward energetic coordination polymers with low sensitivities.
Authors of publication	Xie, Hao-Hui; Wang, Qin; Weng, Jiao-Lin; Yan, Yun-Fan; Bian, Hong-Yi; Huang, Ying; Zheng, Fa-Kun; Qiu, Ren-Hui; Xu, Jian-Gang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	3
Pages of publication	818 - 824
a	11.5555 ± 0.0006 Å
b	7.8169 ± 0.0003 Å
c	11.9927 ± 0.0005 Å
α	90°
β	93.854 ± 0.004°
γ	90°
Cell volume	1080.83 ± 0.08 Å³
Cell temperature	296.76 ± 0.1 K
Ambient diffraction temperature	296.76 ± 0.1 K
Number of distinct elements	4
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	0.0547
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0955
Weighted residual factors for all reflections included in the refinement	0.1023
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation probe	x-ray
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
283335 (current)	2023-05-05	cif/ Updating files of 7712042, 7712043, 7712044, 7712045 Original log message: Adding full bibliography for 7712042--7712045.cif.	7712045.cif
280084	2023-01-04	cif/ Adding structures of 7712042, 7712043, 7712044, 7712045 via cif-deposit CGI script.	7712045.cif