Information card for entry 2013291

Structure parameters

• Common name: dichlorphthalocyanine germanium
• Chemical name: dichloro(phthalocyaninato(2-))germanium(IV)
• Formula: C32 H16 Cl2 Ge N8
• Calculated formula: C32 H16 Cl2 Ge N8
• SMILES: c12=Nc3[n]4[Ge]56(Cl)(Cl)n2c(=Nc2[n]6c(=Nc6c7c(c(N=c4c4c3cccc4)n56)cccc7)c3ccccc23)c2ccccc12
• Title of publication: Two isomorphous complexes: dichloro[phthalocyaninato(2‒)]tin(IV) and dichloro[phthalocyaninato(2‒)]germanium(IV)
• Authors of publication: Jan Janczak; Ryszard Kubiak
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: m237 - m240
• a: 7.365 ± 0.001 Å
• b: 8.704 ± 0.002 Å
• c: 10.966 ± 0.002 Å
• α: 73.85 ± 0.03°
• β: 80.61 ± 0.03°
• γ: 86.39 ± 0.03°
• Cell volume: 666.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes