Crystallography Open Database

Information card for entry 4347373

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Coordinates	4347373.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H48 N30 Ni3
Calculated formula	C72 H48 N30 Ni3
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	9.113 ± 0.002 Å
b	15.904 ± 0.004 Å
c	16.014 ± 0.005 Å
α	73.488 ± 0.005°
β	74.016 ± 0.005°
γ	76.264 ± 0.005°
Cell volume	2107.1 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1195
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.1292
Weighted residual factors for all reflections included in the refinement	0.1394
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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