Crystallography Open Database

Information card for entry 4130833

Preview

Coordinates	4130833.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67.5 H55.5 Cl8.5 N5 O3.25 Rh
Calculated formula	C67.5 H55.5 Cl8.5 N5 O3.25 Rh
Title of publication	Self-Assembled Molecular Gear: A 4:1 Complex of Rh(III)Cl Tetraarylporphyrin and Tetra(p-pyridyl)cavitand.
Authors of publication	Nakamura, Munechika; Kishimoto, Kazuki; Kobori, Yasuhiro; Abe, Tomoka; Yoza, Kenji; Kobayashi, Kenji
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	38
Pages of publication	12564 - 12577
a	25.0036 ± 0.0009 Å
b	25.0036 ± 0.0009 Å
c	23.9683 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	14984.5 ± 0.9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	79
Hermann-Mauguin space group symbol	I 4
Hall space group symbol	I 4
Residual factor for all reflections	0.1006
Residual factor for significantly intense reflections	0.0837
Weighted residual factors for significantly intense reflections	0.23
Weighted residual factors for all reflections included in the refinement	0.2459
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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