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Information card for 7205972

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Coordinates

7205972.cif

Structure parameters

Formula - C36 H40 F6 N5 Ni2 O8 P -
Calculated formula - C36 H40 F6 N5 Ni2 O8 P -
Title of publication Co-crystallization of coordination compounds through second-coordination sphere interactions
Authors of publication Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius
Journal of publication CrystEngComm
Year of publication 2011
Journal volume 13
Journal issue 11
Pages of publication 3756
a 11.6795 ± 0.0012 Å
b 12.8729 ± 0.0014 Å
c 15.7482 ± 0.0019 Å
α 66.151 ± 0.009°
β 73.257 ± 0.009°
γ 64.351 ± 0.008°
Cell volume 1933.7 ± 0.4 Å3
Cell temperature 293 ± 2 K
Ambient diffraction temperature 293 ± 2 K
Number of distinct elements 7
Hermann-Mauguin symmetry space group P -1
Hall symmetry space group -P 1
Residual factor for all reflections 0.1366
Residual factor for observed reflections 0.0603
Weighted residual factors for the observed reflections 0.0821
Weighted residual factors for all reflections included in the refinement 0.0964
Goodness-of-fit parameter for observed reflections 0.892
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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