Information card for entry 4309027

Structure parameters

• Formula: C24 H18 Cl2 N4 O2
• Calculated formula: C24 H18 Cl2 N4 O2
• SMILES: O.c12ccccc1c1cc[nH+]c3c1c(n2)c1[nH+]ccc2c4c(cccc4)nc3c12.[Cl-].O.[Cl-]
• Title of publication: Mononuclear and Dinuclear Complexes of Isoeilatin
• Authors of publication: Sheba D. Bergman; Israel Goldberg; Andrea Barbieri; Moshe Kol
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 2513 - 2523
• a: 7.588 ± 0.0003 Å
• b: 8.025 ± 0.0003 Å
• c: 8.998 ± 0.0004 Å
• α: 81.321 ± 0.003°
• β: 78.132 ± 0.002°
• γ: 73.842 ± 0.0018°
• Cell volume: 512.46 ± 0.04 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0544
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No