Crystallography Open Database

Information card for entry 7711449

Preview

Coordinates	7711449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H76 Ce Cl N12 Ni5 O44
Calculated formula	C30 H76 Ce Cl 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	11.999 ± 0.004 Å
b	11.999 ± 0.004 Å
c	26.786 ± 0.018 Å
α	90°
β	90°
γ	120°
Cell volume	3340 ± 3 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	0.051
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1158
Weighted residual factors for all reflections included in the refinement	0.1169
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	7711449.cif