Information card for entry 7020595

Structure parameters

• Formula: C72 H60 N6 O8 Zn
• Calculated formula: C72 H60 N6 O8 Zn
• SMILES: [Zn]12([n]3c(c4ccc(OC)cc4)cc(c3=Nc3n2c(c2ccc(OC)cc2)cc3c2ccc(OC)cc2)c2ccc(OC)cc2)[n]2c(=Nc3n1c(cc3c1ccc(OC)cc1)c1ccc(OC)cc1)c(c1ccc(OC)cc1)cc2c1ccc(OC)cc1
• Title of publication: Fluorescent azadipyrrinato zinc(ii) complex: hybridisation with a dipyrrinato ligand.
• Authors of publication: Sakamoto, Ryota; Kusaka, Shinpei; Kitagawa, Yasutaka; Kishida, Masa-Aki; Hayashi, Mikihiro; Takara, Yusuke; Tsuchiya, Mizuho; Kakinuma, Junko; Takeda, Takuma; Hirata, Keisuke; Ogino, Tomoya; Kawahara, Keisuke; Yagi, Toshiki; Ikehira, Shu; Nakamura, Tomoya; Isomura, Mayuko; Toyama, Mikoto; Ichikawa, Saki; Okumura, Mitsutaka; Nishihara, Hiroshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 46
• Pages of publication: 14035 - 14037
• a: 21.652 ± 0.003 Å
• b: 11.8115 ± 0.0016 Å
• c: 22.608 ± 0.003 Å
• α: 90°
• β: 93.7316 ± 0.0015°
• γ: 90°
• Cell volume: 5769.6 ± 1.4 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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 significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No