Crystallography Open Database

Information card for entry 7127706

Preview

Coordinates	7127706.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H33 As F6 K O6 P
Calculated formula	C28 H33 As F6 K O6 P
Title of publication	Dibenzoarsacrowns: an experimental and computational study on the coordination behaviors.
Authors of publication	Sumida, Akifumi; Kobayashi, Ryosuke; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	16
Pages of publication	2013 - 2016
a	10.898 ± 0.006 Å
b	15.024 ± 0.008 Å
c	19.48 ± 0.01 Å
α	75.414 ± 0.011°
β	83.884 ± 0.013°
γ	88.235 ± 0.015°
Cell volume	3069 ± 3 Å³
Cell temperature	93.15 K
Ambient diffraction temperature	93.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0394
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0922
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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