Information card for entry 4347654

Structure parameters

• Formula: C63 H64 Cl2 N4 Zn
• Calculated formula: C63 H64 Cl2 N4 Zn
• SMILES: [Zn]12([n]3c(c(c(c3C)CC)C)=C(c3n1c(c(CC)c3C)C)c1c3c(cc4c1cccc4)cccc3)[n]1c(c(c(C)c1=C(c1c3ccccc3cc3c1cccc3)c1n2c(c(CC)c1C)C)CC)C.ClCCl
• Title of publication: Bis(dipyrrinato)zinc(II) Complexes: Emission in the Solid State.
• Authors of publication: Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 5732 - 5734
• a: 19.6231 ± 0.0004 Å
• b: 8.60965 ± 0.00016 Å
• c: 30.9024 ± 0.0006 Å
• α: 90°
• β: 103.976 ± 0.008°
• γ: 90°
• Cell volume: 5066.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.354 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No