Crystallography Open Database

Information card for entry 7711446

Preview

Coordinates	7711446.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H76 Cl La N12 Ni5 O44
Calculated formula	C30 H76 Cl La N12 Ni5 O44
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	11.9438 ± 0.0019 Å
b	11.9438 ± 0.0019 Å
c	26.82 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	3313.4 ± 0.9 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	7
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0549
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1316
Weighted residual factors for all reflections included in the refinement	0.1327
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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.	7711446.cif