Solvatomorphism of 9,9'-[1,3,4-thiadiazole-2,5-diylbis(2,3-thiophendiyl-4,1-phenylene)]bis[9<i>H</i>-carbazole]: isostructurality, modularity and order‒disorder theory
Authors of publication
Stöger, Berthold; Kautny, Paul; Lumpi, Daniel; Zobetz, Erich; Fröhlich, Johannes
Journal of publication
Acta Crystallographica Section B
Year of publication
2012
Journal volume
68
Journal issue
6
Pages of publication
667 - 676
a
8.8595 ± 0.0007 Å
b
11.5099 ± 0.0009 Å
c
21.2526 ± 0.0018 Å
α
103.26 ± 0.007°
β
99.338 ± 0.006°
γ
101.444 ± 0.004°
Cell volume
2017.8 ± 0.3 Å3
Cell temperature
100 K
Ambient diffraction temperature
100 K
Number of distinct elements
4
Space group number
2
Hermann-Mauguin space group symbol
P -1
Hall space group symbol
-P 1
Residual factor for all reflections
0.0657
Residual factor for significantly intense reflections
0.0399
Weighted residual factors for significantly intense reflections
0.0422
Weighted residual factors for all reflections included in the refinement
0.044
Goodness-of-fit parameter for all reflections included in the refinement