Information card for entry 4304456

Structure parameters

• Formula: C68 H58 Ag2 Co2 F12 N12 O6 Sb2
• Calculated formula: C68 H54 Ag2 Co2 F12 N12 O6 Sb2
• SMILES: C1[CH]2=[CH]3C4=C(c5cccn5[Co]567([N]=14)[N](CC[N]7=Cc1c(O5)cccc1)=Cc1ccccc1O6)c1ccc(cc1)C#[N][Ag]1([CH]4C=[N]5C([CH]1=4)=C(c1cccn1[Co]1465[N](=Cc5c(O4)cccc5)CC[N]1=Cc1ccccc1O6)c1ccc(cc1)C#[N][Ag]23([N]#CC)[OH2])([N]#CC)[OH2].[F-][Sb](F)(F)(F)(F)F.[F-][Sb](F)(F)(F)(F)F
• Title of publication: Many Faces of Dipyrrins: from Hydrogen-Bonded Networks to Homo- and Heteronuclear Metallamacrocycles
• Authors of publication: Domingo Salazar-Mendoza; Stéphane A. Baudron; Mir Wais Hosseini
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 766 - 768
• a: 13.9626 ± 0.0005 Å
• b: 11.4836 ± 0.0004 Å
• c: 22.1003 ± 0.0008 Å
• α: 90°
• β: 94.17 ± 0.001°
• γ: 90°
• Cell volume: 3534.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No