Information card for entry 7020370

Structure parameters

• Formula: C22 H26 N10 O
• Calculated formula: C22 H26 N10 O
• SMILES: c1ccc(cc1)c1nc(cc(n1)N(C)/N=C/c1c[nH]c(C)n1)N(C)/N=C/c1cnc(C)[nH]1.O
• Title of publication: Self-ordering of metallogrid complexes via directed hydrogen-bonding.
• Authors of publication: Stefankiewicz, Artur R.; Rogez, Guillaume; Harrowfield, Jack; Sobolev, Alexandre N.; Madalan, Augustin; Huuskonen, Juhani; Rissanen, Kari; Lehn, Jean-Marie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 45
• Pages of publication: 13848 - 13855
• a: 11.0604 ± 0.0003 Å
• b: 20.2397 ± 0.0011 Å
• c: 10.3186 ± 0.0005 Å
• α: 90°
• β: 101.884 ± 0.003°
• γ: 90°
• Cell volume: 2260.4 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.1196
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No