Crystallography Open Database

Information card for entry 7716752

Preview

Coordinates	7716752.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H12 Cu N8 O8
Calculated formula	C2 H12 Cu N8 O8
Title of publication	Structure and performance regulation of energetic complexes through multifunctional molecular self-assembly.
Authors of publication	Dong, Wen-Shuai; Mei, Hao-Zheng; Yu, Qi-Yao; Xu, Mei-Qi; Li, Zong-You; Zhang, Jian-Guo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	33
Pages of publication	13925 - 13932
a	12.9524 ± 0.0011 Å
b	10.4313 ± 0.0009 Å
c	9.065 ± 0.0008 Å
α	90°
β	108.793 ± 0.004°
γ	90°
Cell volume	1159.48 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0655
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1314
Weighted residual factors for all reflections included in the refinement	0.1433
Goodness-of-fit parameter for all reflections included in the refinement	0.9737
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
294556 (current)	2024-09-06	cif/ Updating files of 7716752, 7716753, 7716754, 7716755, 7716756, 7716757, 7716758, 7716759, 7716760 Original log message: Adding full bibliography for 7716752--7716760.cif.	7716752.cif
293576	2024-07-28	cif/ Adding structures of 7716752, 7716753, 7716754, 7716755, 7716756, 7716757, 7716758, 7716759, 7716760 via cif-deposit CGI script.	7716752.cif