Information card for entry 7034575

Structure parameters

• Chemical name: heteroleptic bis(dipyrrinato)copper
• Formula: C52 H46 Cu N4
• Calculated formula: C52 H46 Cu N4
• SMILES: [Cu]12([n]3c(ccc3/C=C/c3ccccc3)=C(c3n1c(cc3)/C=C/c1ccccc1)c1c(C)cccc1C)[n]1c(=C(c3n2c(C)cc3C)c2ccccc2)c(cc1C)C
• Title of publication: Heteroleptic bis(dipyrrinato)copper(ii) and nickel(ii) complexes.
• Authors of publication: Toyoda, Ryojun; Tsuchiya, Mizuho; Sakamoto, Ryota; Matsuoka, Ryota; Wu, Kuo-Hui; Hattori, Yohei; Nishihara, Hiroshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 34
• Pages of publication: 15103 - 15106
• a: 8.024 ± 0.003 Å
• b: 12.015 ± 0.005 Å
• c: 21.266 ± 0.009 Å
• α: 87.69 ± 0.009°
• β: 89.191 ± 0.009°
• γ: 88.2546 ± 0.001°
• Cell volume: 2047.4 ± 1.4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.2049
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No