Crystallography Open Database

Information card for entry 4344407

Preview

Coordinates	4344407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C118 H124 N42 Ni8 O3 S4
Calculated formula	C118 H124 N42 Ni8 O3 S4
Title of publication	Solvothermal Subcomponent Self-Assembly of Cubic Metal-Imidazolate Cages and Their Coordination Polymers.
Authors of publication	Luo, Dong; Zhou, Xiao-Ping; Li, Dan
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	22
Pages of publication	10822 - 10828
a	16.9226 ± 0.0006 Å
b	16.9277 ± 0.0006 Å
c	25.2944 ± 0.0005 Å
α	90°
β	108.91°
γ	90°
Cell volume	6854.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0835
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1236
Weighted residual factors for all reflections included in the refinement	0.1376
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4344407.html