Information card for entry 2311098
Common name
tri-(o-Chloroanilinium Nitrate
Chemical name
tri-(o-Chloroanilinium Nitrate
Formula
C6 H7 Cl N2 O3
Calculated formula
C6 H7 Cl N2 O3
SMILES
Clc1c([NH3+])cccc1.O=N(=O)[O-]
Title of publication
Nonlinear optical organic‒inorganic crystals: synthesis, structural analysis and verification of harmonic generation in tri-(<i>o</i>-chloroanilinium nitrate)
Authors of publication
Athmani, Hamza; Kijatkin, Christian; Benali-Cherif, Rim; Pillet, Sébastien; Schaniel, Dominik; Imlau, Mirco; Benali-Cherif, Nourredine; Bendeif, El-Eulmi
Journal of publication
Acta Crystallographica Section A
Year of publication
2019
Journal volume
75
Journal issue
1
Pages of publication
107 - 114
a
16.8015 ± 0.0005 Å
b
6.5945 ± 0.0002 Å
c
22.4243 ± 0.0006 Å
α
90°
β
90°
γ
90°
Cell volume
2484.56 ± 0.12 Å3
Cell temperature
100 ± 2 K
Ambient diffraction temperature
100 ± 2 K
Number of distinct elements
5
Space group number
33
Hermann-Mauguin space group symbol
P n a 21
Hall space group symbol
P 2c -2n
Residual factor for all reflections
0.0771
Residual factor for significantly intense reflections
0.0474
Weighted residual factors for significantly intense reflections
0.0876
Weighted residual factors for all reflections included in the refinement
0.099
Goodness-of-fit parameter for all reflections included in the refinement
1.065
Diffraction radiation wavelength
0.71073 Å
Diffraction radiation type
MoKα
Has coordinates
Yes
Has disorder
No
Has Fobs
Yes
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https://www.crystallography.net/2311098.html
