Information card for entry 7106874

Structure parameters

• Common name: 7,8,15,16-tetrakis(4-pyridyl)tricycle(12,2,0,06,9) (3,4,11,12)tetra-aza-cyclohexadecane(2,5,10,13)tetraone, hexa hydrate
• Chemical name: 7,8,15,16-tetrakis(4-pyridyl)tricycle[12,2,0,06,9] [3,4,11,12]tetra-aza-cyclohexadecane[2,5,10,13]tetraone, hexa hydrate
• Formula: C32 H40 N8 O10
• Calculated formula: C32 H28 N8 O10
• SMILES: c1cc(ccn1)[C@@H]1[C@H]2C(=O)NNC(=O)[C@H]3[C@H]([C@H](c4ccncc4)[C@@H]3c3ccncc3)C(=O)NNC(=O)[C@H]2[C@@H]1c1ccncc1.O.O.O.O.O.O
• Title of publication: Weak Ag—Ag and Ag—Pi Interactions in Templating Regio Selective Single and Double [2+2] Reactions of N,N'-bis(3-(4-pyridyl)acryloyl)-hydrazine in the Solid State
• Authors of publication: Ramkinkar Santra; Kaustuv Banerjee; Kumar Biradha
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 10740
• a: 17.253 ± 0.006 Å
• b: 12.694 ± 0.005 Å
• c: 17.639 ± 0.007 Å
• α: 90°
• β: 116.174 ± 0.011°
• γ: 90°
• Cell volume: 3467 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1239
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1857
• Weighted residual factors for all reflections included in the refinement: 0.206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No