Crystallography Open Database

Information card for entry 4518915

Preview

Coordinates	4518915.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86.5 H82.85 Cl3.75 N6 O2 Se3
Calculated formula	C86.5 H82.8492 Cl3.75 N6 O2 Se3
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	16.9671 ± 0.0005 Å
b	27.5701 ± 0.0004 Å
c	38.6433 ± 0.0006 Å
α	70.405 ± 0.002°
β	84.524 ± 0.002°
γ	88.416 ± 0.002°
Cell volume	16952 ± 0.7 Å³
Cell temperature	169.99 ± 0.16 K
Ambient diffraction temperature	169.99 ± 0.16 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	0.2044
Residual factor for significantly intense reflections	0.1447
Weighted residual factors for significantly intense reflections	0.385
Weighted residual factors for all reflections included in the refinement	0.4111
Goodness-of-fit parameter for all reflections included in the refinement	2.097
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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