Crystallography Open Database

Information card for entry 4518916

Preview

Coordinates	4518916.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C179 H195 Cl9 N12 O4 S6
Calculated formula	C179 H195 Cl9 N12 O4 S6
Title of publication	Development of a Fluorophore with Enhanced Unorthodox Chalcogen Bonding for Highly Sensitive Detection of Trimethyl Arsine Vapor
Authors of publication	Cui, Linfeng; Gong, Yanjun; Yu, Xinting; Lv, Chunxiao; Du, Xiaoming; Zhao, Jincai; Che, Yanke
Journal of publication	ACS Sensors
Year of publication	2021
a	19.1376 ± 0.0004 Å
b	19.3087 ± 0.0003 Å
c	22.5989 ± 0.0003 Å
α	90.189 ± 0.001°
β	102.678 ± 0.002°
γ	97.38 ± 0.001°
Cell volume	8075.4 ± 0.2 Å³
Cell temperature	170 ± 0.13 K
Ambient diffraction temperature	170 ± 0.13 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	0.1169
Residual factor for significantly intense reflections	0.0965
Weighted residual factors for significantly intense reflections	0.2712
Weighted residual factors for all reflections included in the refinement	0.2924
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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