Revisited crystal symmetry of the high-spin form of the iron(II) spin-crossover complex dicyano[2,13-dimethyl-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),2,12,14,16-pentaene]iron(II) monohydrate
Authors of publication
Philippe Guionneau; José Sánchez Costa; Jean-François Létard
Journal of publication
Acta Crystallographica Section C
Year of publication
2004
Journal volume
60
Journal issue
11
Pages of publication
m587 - m589
a
17.326 ± 0.005 Å
b
12.054 ± 0.005 Å
c
10.125 ± 0.005 Å
α
90°
β
116.27 ± 0.01°
γ
90°
Cell volume
1896.2 ± 1.3 Å3
Cell temperature
293 ± 2 K
Ambient diffraction temperature
293 ± 2 K
Number of distinct elements
5
Space group number
15
Hermann-Mauguin space group symbol
C 1 2/c 1
Hall space group symbol
-C 2yc
Residual factor for all reflections
0.0541
Residual factor for significantly intense reflections
0.0382
Weighted residual factors for significantly intense reflections
0.0858
Weighted residual factors for all reflections included in the refinement
0.0935
Goodness-of-fit parameter for all reflections included in the refinement