Information card for entry 7028806

Structure parameters

• Common name: (H2bipy2M2)(ClO42)2
• Formula: C34 H56 Cl2 N10 O12
• Calculated formula: C34 H56 Cl2 N10 O12
• SMILES: C1NCCN(C)CC[NH2+]Cc2ccnc(c2)c2nccc(c2)C[NH2+]CCN(C)CCNCc2ccnc(c2)c2nccc1c2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O.O
• Title of publication: Protonation, coordination chemistry, cyanometallate "supercomplex" formation and fluorescence chemosensing properties of a bis(2,2'-bipyridino)cyclophane receptor.
• Authors of publication: Gago, Sandra; González, Jorge; Blasco, Salvador; Parola, A. Jorge; Albelda, M. T.; García-España, Enrique; Pina, Fernando
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 6
• Pages of publication: 2437 - 2447
• a: 20.026 ± 0.004 Å
• b: 15.4487 ± 0.0019 Å
• c: 14.706 ± 0.002 Å
• α: 90°
• β: 108.555 ± 0.017°
• γ: 90°
• Cell volume: 4313.2 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.3696
• Residual factor for significantly intense reflections: 0.1309
• Weighted residual factors for significantly intense reflections: 0.335
• Weighted residual factors for all reflections included in the refinement: 0.4729
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No