Crystallography Open Database

Information card for entry 4131905

4131904 << 4131905 >> 4131906

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Coordinates	4131905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C187 H112 F36 N12 O44 Y4
Calculated formula	C187 H112 F36 N12 O44 Y4
Title of publication	Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.
Authors of publication	Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	10
Pages of publication	3683 - 3689
a	33.7309 ± 0.0006 Å
b	32.1542 ± 0.0006 Å
c	22.2394 ± 0.0004 Å
α	90°
β	101.685 ± 0.007°
γ	90°
Cell volume	23620.8 ± 1 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0705
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1136
Weighted residual factors for all reflections included in the refinement	0.1197
Goodness-of-fit parameter for all reflections included in the refinement	0.972
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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