Information card for entry 7005389

Structure parameters

• Formula: C59 H54 Cl6 Mn3 N14 O12 W
• Calculated formula: C59 H36 Cl6 Mn3 N14 O11.98 W
• Title of publication: Two WV-MnIII bimetallic assemblies built by octacyanotungstate(v) and MnIII Schiff bases: molecular structures and a spin-flop transition.
• Authors of publication: Ko, Hyun Hee; Lim, Jeong Hak; Yoo, Houng Sik; Kang, Jun Sung; Kim, Hyoung Chan; Koh, Eui Kwan; Hong, Chang Seop
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 20
• Pages of publication: 2070 - 2076
• a: 39.3856 ± 0.0011 Å
• b: 19.755 ± 0.0006 Å
• c: 20.7631 ± 0.0005 Å
• α: 90°
• β: 116.655 ± 0.001°
• γ: 90°
• Cell volume: 14438.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.124
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No