Crystallography Open Database

Information card for entry 4107728

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Coordinates	4107728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H128 Cl8 N28 Ni4 O54
Calculated formula	C48 H108 Cl8 N28 Ni4 O54
Title of publication	Ni(II)-Mediated Self-Assembly of Artificial β-Dipeptides Forming a Macrocyclic Tetranuclear Complex with Interior Spaces for In-Line Molecular Arrangement
Authors of publication	Ryosuke Miyake; Shohei Tashiro; Motoo Shiro; Kentaro Tanaka; Mitsuhiko Shionoya
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	5646 - 5647
a	21.57 ± 0.0008 Å
b	22.1013 ± 0.0008 Å
c	10.0759 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4803.4 ± 0.3 Å³
Cell temperature	93.1 K
Number of distinct elements	6
Space group number	32
Hermann-Mauguin space group symbol	P b a 2
Hall space group symbol	P 2 -2ab
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for all reflections included in the refinement	0.2274
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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