Crystallography Open Database

Information card for entry 7714779

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Coordinates	7714779.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.5 H26 As B O0.5 S
Calculated formula	C27.5 H26 As B O0.5 S
Title of publication	Synthesis, structures, and photophysical properties of π-extended arsaborins.
Authors of publication	Sumida, Akifumi; Onishi, Tomoharu; Imoto, Hiroaki; Naka, Kensuke
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	4
Pages of publication	1706 - 1713
a	9.3729 ± 0.0006 Å
b	14.9082 ± 0.001 Å
c	17.5035 ± 0.0008 Å
α	86.683 ± 0.004°
β	81.031 ± 0.004°
γ	75.64 ± 0.005°
Cell volume	2340 ± 0.2 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0886
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.158
Weighted residual factors for all reflections included in the refinement	0.1839
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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