Crystallography Open Database

Information card for entry 4344413

Preview

Coordinates	4344413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H110 Cl2 N42 Ni8 O9
Calculated formula	C116 H110.04 Cl2 N42 Ni8 O9
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	15.1763 ± 0.0005 Å
b	15.1763 ± 0.0005 Å
c	47.0687 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	9388.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3
Hall space group symbol	-R 3
Residual factor for all reflections	0.1552
Residual factor for significantly intense reflections	0.0919
Weighted residual factors for significantly intense reflections	0.2516
Weighted residual factors for all reflections included in the refinement	0.3006
Goodness-of-fit parameter for all reflections included in the refinement	0.95
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
170790 (current)	2015-12-06	cif/ Updating files of 4344404, 4344405, 4344406, 4344407, 4344408, 4344409, 4344410, 4344411, 4344412, 4344413, 4344414 Original log message: Adding full bibliography for 4344404--4344414.cif.	4344413.cif
169867	2015-10-30	cif/ Adding structures of 4344404, 4344405, 4344406, 4344407, 4344408, 4344409, 4344410, 4344411, 4344412, 4344413, 4344414 via cif-deposit CGI script.	4344413.cif