Information card for entry 2238510

Structure parameters

• Chemical name: Dichlorido[6,8,22,24,34,36-hexamethyl-33,35-diaza-3,11,19,27-tetraazoniapentacyclo[27.3.1.1^5,9^.1^13,17^.1^21,25^]hexatriaconta-1(33),5,7,9(34),13,15,17(35),21,23,25(36),29,31-dodecaene-κ^6^<i>N</i>^3^,<i>N</i>^11^,<i>N</i>^19^,<i>N</i>^27^,<i>N</i>^33^,<i>N</i>^35^]dipalladium(II) bis(perchlorate) <i>N</i>,<i>N</i>-dimethylformamide disolvate methanol disolvate
• Formula: C44 H68 Cl4 N8 O12 Pd2
• Calculated formula: C44 H68 Cl4 N8 O12 Pd2
• SMILES: C1c2cccc3C[NH]4Cc5c(C)cc(c(c5C)C[NH]5Cc6cccc7C[NH](Cc8c(cc(c(c8C)C[NH]1[Pd]4([n]23)Cl)C)C)[Pd]5([n]67)Cl)C.N(C)(C)C=O.[O-]Cl(=O)(=O)=O.OC.N(C)(C)C=O.[O-]Cl(=O)(=O)=O.OC
• Title of publication: Dichlorido[6,8,22,24,34,36-hexamethyl-33,35-diaza-3,11,19,27-tetraazoniapentacyclo[27.3.1.1^5,9^.1^13,17^.1^21,25^]hexatriaconta-1(33),5,7,9(34),13,15,17(35),21,23,25(36),29,31-dodecaene-κ^6^<i>N</i>^3^,<i>N</i>^11^,<i>N</i>^19^,<i>N</i>^27^,<i>N</i>^33^,<i>N</i>^35^]dipalladium(II) bis(perchlorate) <i>N</i>,<i>N</i>-dimethylformamide disolvate methanol disolvate
• Authors of publication: Oda, Kohei; Funahashi, Yasuhiro; Masuda, Hideki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: m520 - m521
• a: 10.917 ± 0.002 Å
• b: 19.083 ± 0.004 Å
• c: 12.705 ± 0.003 Å
• α: 90°
• β: 104.201 ± 0.002°
• γ: 90°
• Cell volume: 2565.9 ± 0.9 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.0375
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes