Crystallography Open Database

Information card for entry 7716754

Preview

Coordinates	7716754.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H18 Cu N8 O9
Calculated formula	C6 H18 Cu N8 O9
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	9.0943 ± 0.0011 Å
b	13.4408 ± 0.0015 Å
c	12.7697 ± 0.0012 Å
α	90°
β	105.08 ± 0.004°
γ	90°
Cell volume	1507.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0877
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1525
Weighted residual factors for all reflections included in the refinement	0.1702
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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