Crystallography Open Database

Information card for entry 7711445

Preview

Coordinates	7711445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H115 Ce N12 Ni4 O33
Calculated formula	C60 H115 Ce N12 Ni4 O33
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	18.4701 ± 0.0005 Å
b	18.7158 ± 0.0005 Å
c	25.6171 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	8855.4 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1317
Weighted residual factors for all reflections included in the refinement	0.1338
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	7711445.cif