Information card for entry 7105005

Structure parameters

• Formula: C26 H28 Cl6 N6 O4
• Calculated formula: C26 H28 Cl6 N6 O4
• SMILES: C1(=[NH+]CCCN1)CCC1=[NH+]CCCN1.c1(ccnc2c3nccc(c3ccc12)C(=O)[O-])C(=O)[O-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Molecular tectonics: design of 2-D networks by simultaneous use of charge-assisted hydrogen and coordination bonds.
• Authors of publication: Carpanese, Cristina; Ferlay, Sylvie; Kyritsakas, Nathalie; Henry, Marc; Hosseini, Mir Wais
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 44
• Pages of publication: 6786 - 6788
• a: 10.0015 ± 0.0012 Å
• b: 14.7201 ± 0.0017 Å
• c: 21.396 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3150 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No