Information card for entry 1565195

Structure parameters

• Formula: C39 H29 Co N5 O7
• Calculated formula: C39 H29 Co N5 O7
• SMILES: c1c2ccccc2c2ccccc2[n]1[Co]12(ON(=[O]1)=O)(ON(=[O]2)=O)[OH2].c1c2ccccc2c2ccccc2n1.c1c2ccccc2c2ccccc2n1
• Title of publication: Synthesis, luminescence studies and structural characterization of new Co(II) and Cu(II) complexes based on phenanthridine as a ligand
• Authors of publication: Choopani Jouybari, Hosna; Alizadeh, Robabeh; Banisaeed, Hoda; Amani, Vahid
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 506
• Pages of publication: 119553
• a: 10.596 ± 0.002 Å
• b: 11.673 ± 0.002 Å
• c: 14.971 ± 0.003 Å
• α: 107.34 ± 0.03°
• β: 96.59 ± 0.03°
• γ: 102.12 ± 0.03°
• Cell volume: 1696.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0723
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No