Information card for entry 1516843

Structure parameters

• Formula: C30 H24 N6 O2
• Calculated formula: C30 H24 N6 O2
• SMILES: O=C(NCc1[nH]c2ccccc2n1)c1c(c2c(C(=O)NCc3[nH]c4ccccc4n3)cccc2)cccc1
• Title of publication: Morphology dependant oxidation of aromatic alcohols by new symmetrical copper(II) metallatriangles formed by self-assembly of a shared bis-benzimidazolyl diamide ligand
• Authors of publication: Kuldeep Mahiya; Pavan Mathur
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 399
• Pages of publication: 36 - 44
• a: 18.406 ± 0.003 Å
• b: 14.735 ± 0.003 Å
• c: 9.95 ± 0.003 Å
• α: 90°
• β: 116.08 ± 0.03°
• γ: 90°
• Cell volume: 2423.8 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.1856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No