Information card for entry 7034576

Structure parameters

• Chemical name: heteroleptic bis(dipyrrinato)nickel
• Formula: C52 H46 N4 Ni
• Calculated formula: C52 H46 N4 Ni
• SMILES: [Ni]12([n]3c(=C(c4n1c(/C=C/c1ccccc1)cc4)c1c(C)cccc1C)ccc3/C=C/c1ccccc1)[n]1c(=C(c3n2c(cc3C)C)c2ccccc2)c(C)cc1C
• 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: 8.062 ± 0.0012 Å
• b: 12.0416 ± 0.0018 Å
• c: 21.376 ± 0.004 Å
• α: 87.391 ± 0.003°
• β: 88.849 ± 0.004°
• γ: 88.017 ± 0.003°
• Cell volume: 2071.4 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0379
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No