Crystallography Open Database

Information card for entry 7711451

Preview

Coordinates	7711451.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H152 Cl6 N12 Ni9 O76
Calculated formula	C60 H152 Cl6 N12 Ni9 O76
Title of publication	Structural evolution from preorganized mononuclear triazamacrocyclic metalloligands to polynuclear metallocages and heterometallic 2D layers: modular architectures, assembly tracking and magnetic properties
Authors of publication	Lan, Bi-Liu; Luo, Ai-Yi; Shao, Bing; Gao, Li-Na; Wei, Qin; Liang, Yu-Ning; Huang, Jin; Zhang, Zhong
Journal of publication	Dalton Transactions
Year of publication	2022
a	12.7937 ± 0.0005 Å
b	28.877 ± 0.0011 Å
c	15.5362 ± 0.0006 Å
α	90°
β	102.944 ± 0.004°
γ	90°
Cell volume	5593.9 ± 0.4 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0632
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1384
Weighted residual factors for all reflections included in the refinement	0.1499
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
278495 (current)	2022-10-08	cif/ Adding structures of 7711445, 7711446, 7711447, 7711448, 7711449, 7711450, 7711451 via cif-deposit CGI script.	7711451.cif