Information card for entry 2004017

Structure parameters

• Formula: C48 H24 Gd N13
• Calculated formula: C48 H24 Gd N13
• Title of publication: Gadolinium(III) Bicyclic Phthalocyanine
• Authors of publication: Janczak, J.; Kubiak, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 2039 - 2042
• a: 11.683 ± 0.002 Å
• b: 12.388 ± 0.003 Å
• c: 15.978 ± 0.003 Å
• α: 75.62 ± 0.03°
• β: 86 ± 0.03°
• γ: 65.12 ± 0.03°
• Cell volume: 2030.5 ± 0.9 ų
• Cell temperature: 295 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.068
• Goodness-of-fit parameter for significantly intense reflections: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No