Information card for entry 7042603

Structure parameters

• Formula: C43 H40 Cu2 N4 O6
• Calculated formula: C43 H32 Cu2 N4 O6
• SMILES: [Cu]12(OC(=CC(=[O]1)C)C)[n]1cccc1=C(c1n2ccc1)c1ccccc1OCCCOc1ccccc1C1=c2[n]([Cu]3(OC(=CC(=[O]3)C)C)n3c1ccc3)ccc2
• 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: 14.1141 ± 0.0003 Å
• b: 16.4924 ± 0.0003 Å
• c: 17.4915 ± 0.0003 Å
• α: 90°
• β: 105.647 ± 0.002°
• γ: 90°
• Cell volume: 3920.7 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1322
• Residual factor for significantly intense reflections: 0.1023
• Weighted residual factors for significantly intense reflections: 0.3137
• Weighted residual factors for all reflections included in the refinement: 0.3495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No