Information card for entry 2003611

Structure parameters

• Chemical name: diaqua-2,13-dimethyl-3,12,18-triaza-6,9-dioxabicyclo[12.3.1]octadeca- 1(18),2,12,14,16-pentaenemagnesium(II) perchlorate
• Formula: C15 H25 Cl2 Mg N3 O12
• Calculated formula: C15 H25 Cl2 Mg N3 O12
• SMILES: Cl(=O)(=O)(=O)[O-].[Mg]1234([OH2])([OH2])[n]5c6cccc5C(=[N]1CC[O]2CC[O]3CC[N]4=C6C)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: Diaqua[2,13-dimethyl-3,12,18-triaza-6,9-dioxa-bicyclo[12.3.1]octadeca-1(18),2,12,14,16-pentaene]magnesium(II) Diperchlorate
• Authors of publication: Othman, A. H.; Ng, S. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 6
• Pages of publication: 1059 - 1060
• a: 15.964 ± 0.003 Å
• b: 13.603 ± 0.001 Å
• c: 10.835 ± 0.002 Å
• α: 90°
• β: 97 ± 0.007°
• γ: 90°
• Cell volume: 2335.4 ± 0.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.1008
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections: 0.1994
• Weighted residual factors for significantly intense reflections: 0.17
• Goodness-of-fit parameter for all reflections: 1.062
• Goodness-of-fit parameter for significantly intense reflections: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No