Crystallography Open Database

Information card for entry 7716759

Preview

Coordinates	7716759.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H153 Mn8 N120 O77
Calculated formula	C36 H143 Mn8 N120 O72
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	36.583 ± 0.003 Å
b	36.583 ± 0.003 Å
c	28.975 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	33582 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.2089
Residual factor for significantly intense reflections	0.1007
Weighted residual factors for significantly intense reflections	0.2252
Weighted residual factors for all reflections included in the refinement	0.272
Goodness-of-fit parameter for all reflections included in the refinement	0.886
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.	7716759.cif
293576	2024-07-28	cif/ Adding structures of 7716752, 7716753, 7716754, 7716755, 7716756, 7716757, 7716758, 7716759, 7716760 via cif-deposit CGI script.	7716759.cif