Crystallography Open Database

Information card for entry 1561000

Preview

Coordinates	1561000.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H66 N8 Ni2 O17 Si2
Calculated formula	C84 H66 N8 Ni2 O17 Si2
Title of publication	Two Ni(II) semiconducting metal-organic frameworks based on the tetrakis(4-carboxyphenyl)silane and an imidazole ligand: Syntheses, characterization, water stability and photoelectric properties
Authors of publication	Li, Qi; Guo, Tiantian; Lv, Xin; Lin, Yifang; Dai, Zhihui; Fang, Min; Bao, Jianchun; Wu, Yong
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	265
Pages of publication	100 - 108
a	13.235 ± 0.014 Å
b	8.817 ± 0.009 Å
c	17.848 ± 0.019 Å
α	90°
β	96.459 ± 0.013°
γ	90°
Cell volume	2070 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
262972 (current)	2021-03-10	cif/ Adding structures of 1560999, 1561000 via cif-deposit CGI script.	1561000.cif