Crystallography Open Database

Information card for entry 4022094

4022093 << 4022094 >> 4022095

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Coordinates	4022094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H21 Cl2 N7 O12 Zn
Calculated formula	C19 H21 Cl2 N7 O12 Zn
Title of publication	Properties of a Triazolopyridine System as a Molecular Chemosensor for Metal Ions, Anions, and Amino Acids
Authors of publication	Mimoun Chadlaoui; Belén Abarca; Rafael Ballesteros; Carmen Ramírez de Arellano; Juan Aguilar; Ricardo Aucejo; Enrique García-España
Journal of publication	Journal of Organic Chemistry
Year of publication	2006
Journal volume	71
Pages of publication	9030 - 9034
a	8.2634 ± 0.0017 Å
b	13.768 ± 0.003 Å
c	23.321 ± 0.005 Å
α	90°
β	94.97 ± 0.03°
γ	90°
Cell volume	2643.3 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.102
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.0951
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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