Information card for entry 7228064

Structure parameters

• Formula: C30.5 H39 N12 O14
• Calculated formula: C30.5 H39 N12 O14
• SMILES: [NH2+]=C(N)c1ccc(cc1)C(c1ccc(C(=[NH2+])N)cc1)(c1ccc(C(=[NH2+])N)cc1)c1ccc(C(=[NH2+])N)cc1.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].OC.OC.O
• Title of publication: Mixed halide/oxoanion-templated frameworks
• Authors of publication: Morshedi, Mahbod; White, Nicholas G.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 2367
• a: 11.6729 ± 0.0015 Å
• b: 11.8954 ± 0.0009 Å
• c: 26.963 ± 0.002 Å
• α: 101.982 ± 0.007°
• β: 91.167 ± 0.008°
• γ: 90.664 ± 0.008°
• Cell volume: 3661.1 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1618
• Residual factor for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections: 0.3474
• Weighted residual factors for significantly intense reflections: 0.3309
• Weighted residual factors for all reflections included in the refinement: 0.3474
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9703
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No