Crystallography Open Database





Information card for 7101672

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Coordinates

7101672.cif

Structure parameters

Formula - C48 H155 Mn2 N12 Na2 O112 P3 W22 -
Calculated formula - C48 H96 Mn2 N12 Na2 O106.9 P3 W22 -
Title of publication Exploiting the multifunctionality of organocations in the assembly of hybrid polyoxometalate clusters and networks.
Authors of publication Ritchie, Chris; Burkholder, Eric M; Long, De-Liang; Adam, David; Kögerler, Paul; Cronin, Leroy
Journal of publication Chemical communications (Cambridge, England)
Year of publication 2007
Journal issue 5
Pages of publication 468 - 470
a 12.218 ± 0.002 Å
b 55.659 ± 0.01 Å
c 23.647 ± 0.004 Å
α 90°
β 93.382 ± 0.006°
γ 90°
Cell volume 16053 ± 5 Å3
Cell temperature 100 ± 2 K
Ambient diffraction temperature 100 ± 2 K
Number of distinct elements 8
Hermann-Mauguin symmetry space group C 1 2/m 1
Hall symmetry space group -C 2y
Residual factor for all reflections 0.0993
Residual factor for observed reflections 0.0713
Weighted residual factors for the observed reflections 0.1717
Weighted residual factors for all reflections included in the refinement 0.1909
Goodness-of-fit parameter for observed reflections 1.095
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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