Crystallography Open Database

Information card for entry 4344414

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Coordinates	4344414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H126 N42 Ni9 O7 S4
Calculated formula	C124 H126 N42 Ni9 O7 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	14.848 ± 0.0005 Å
b	16.6691 ± 0.0005 Å
c	17.8985 ± 0.0006 Å
α	113.538 ± 0.003°
β	106.753 ± 0.003°
γ	102.118 ± 0.003°
Cell volume	3612.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0804
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1474
Weighted residual factors for all reflections included in the refinement	0.161
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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