Information card for entry 4347652

Structure parameters

• Formula: C53 H44 Cl6 N4 Zn
• Calculated formula: C53 H44 Cl6 N4 Zn
• SMILES: [Zn]12([n]3c(=C(c4c5c(cc6ccccc46)cccc5)c4n1c(cc4)C)ccc3C)[n]1c(=C(c3c4ccccc4cc4c3cccc4)c3n2c(C)cc3)ccc1C.ClCCl.ClCCl.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: 11.3092 ± 0.0016 Å
• b: 13.973 ± 0.002 Å
• c: 16.046 ± 0.003 Å
• α: 102.672 ± 0.008°
• β: 107.805 ± 0.008°
• γ: 94.872 ± 0.007°
• Cell volume: 2323.6 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.3625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.294
• Diffraction radiation wavelength: 0.354 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No