Crystallography Open Database

Information card for entry 4127659

Preview

Coordinates	4127659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H69 F6 O22 Re4 Ru3 S2
Calculated formula	C66 H69 F6 O22 Re4 Ru3 S2
Title of publication	π-Metalated [1<sub>5</sub>]Paracyclophanes: Synthesis and Binding to Oxo-Anions via Anion-π Interactions.
Authors of publication	Zeng, Hong; Liu, Peiren; Feng, Guoqin; Huang, Feihe
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	41
Pages of publication	16501 - 16511
a	16.3814 ± 0.0004 Å
b	22.5055 ± 0.0005 Å
c	23.9817 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	8841.4 ± 0.4 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	169.99 K
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.125
Residual factor for significantly intense reflections	0.1162
Weighted residual factors for significantly intense reflections	0.2779
Weighted residual factors for all reflections included in the refinement	0.2843
Goodness-of-fit parameter for all reflections included in the refinement	1.209
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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