Variable-temperature neutron diffraction studies of the short, strong N···O hydrogen bonds in the 1:2 co-crystal of benzene-1,2,4,5-tetracarboxylic acid and 4,4'-bipyridyl
Authors of publication
Cowan, John A.; Howard, Judith A. K.; McIntyre, Garry J.; Lo, Samuel M.-F.; Williams, Ian D.
Journal of publication
Acta Crystallographica Section B
Year of publication
2003
Journal volume
59
Journal issue
6
Pages of publication
794 - 801
a
7.5011 ± 0.0002 Å
b
9.7868 ± 0.0003 Å
c
10.2303 ± 0.0003 Å
α
64.14 ± 0.003°
β
71.682 ± 0.003°
γ
75.516 ± 0.003°
Cell volume
635.93 ± 0.04 Å3
Cell temperature
293 ± 2 K
Ambient diffraction temperature
293 ± 2 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
0.0419
Residual factor for significantly intense reflections
0.035
Weighted residual factors for significantly intense reflections
0.083
Weighted residual factors for all reflections included in the refinement
0.0875
Goodness-of-fit parameter for all reflections included in the refinement