Crystallography Open Database

Information card for entry 7714116

Preview

Coordinates	7714116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H38 B F3 N2 O3 S
Calculated formula	C23 H38 B F3 N2 O3 S
Title of publication	Synthesis, Structures, and Solid-State Photoresponsive Color Change Behavior of Boronium Complexes Bearing a Pyridine-Imine, Diimine, or Pyridine-Ketone Bidentate Ligand
Authors of publication	Yoshino, Junro; Hirono, Yoshito; Kaneda, Ayako; Hayashi, Naoto
Journal of publication	Dalton Transactions
Year of publication	2023
a	6.5214 ± 0.0002 Å
b	20.7113 ± 0.0006 Å
c	9.6322 ± 0.0003 Å
α	90°
β	106.55 ± 0.008°
γ	90°
Cell volume	1247.09 ± 0.08 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0416
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.1148
Weighted residual factors for all reflections included in the refinement	0.1181
Goodness-of-fit parameter for all reflections included in the refinement	0.964
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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