Crystallography Open Database

Information card for entry 4347374

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Coordinates	4347374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 N10 Ni
Calculated formula	C24 H16 N10 Ni
Title of publication	Shape-Asymmetry Supramolecular Isomerism in Asymmetrical Ligand PCPs and the Expression Method of Three-Level Isomerism.
Authors of publication	Gao, Xiaonan; Fu, Ai-Yun; Wang, Yao-Yu
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	9
Pages of publication	4330 - 4334
a	27.7371 ± 0.0017 Å
b	27.7371 ± 0.0017 Å
c	9.6225 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	6411.2 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1342
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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