Information card for entry 7042605

Structure parameters

• Formula: C39 H38 Cu N4 O2
• Calculated formula: C39 H38 Cu N4 O2
• SMILES: [Cu]123n4cccc4C(=c4[n]1ccc4)c1ccccc1OCCCCCCCCCOc1c(C(=c4[n]2ccc4)c2n3ccc2)cccc1
• Title of publication: Spacer length dependent architectural diversity in bis-dipyrrin copper(ii) complexes.
• Authors of publication: Paitandi, Rajendra Prasad; Singh, Roop Shikha; Mukhopadhyay, Sujay; Kumar, Ashish; Pandey, Daya Shankar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 5420 - 5430
• a: 25.9984 ± 0.001 Å
• b: 9.3703 ± 0.0002 Å
• c: 28.3965 ± 0.0008 Å
• α: 90°
• β: 105.343 ± 0.003°
• γ: 90°
• Cell volume: 6671.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1219
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1611
• 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