Information card for entry 7035980

Structure parameters

• Formula: C75 H54 Cl12 Cu3 N32 O12
• Calculated formula: C75 H54 Cl12 Cu3 N32 O12
• Title of publication: A trinuclear Cu(II) complex with functionalized s-heptazine N-ligands: molecular chemistry from a g-C3N4 fragment.
• Authors of publication: Maxwell, Lindley; Gómez-Coca, Silvia; Weyhermüller, Thomas; Panyella, David; Ruiz, Eliseo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 36
• Pages of publication: 15761 - 15763
• a: 28.203 ± 0.003 Å
• b: 15.868 ± 0.002 Å
• c: 25.367 ± 0.003 Å
• α: 90°
• β: 115.652 ± 0.002°
• γ: 90°
• Cell volume: 10233 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1105
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.2145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No