Information card for entry 7001857

Structure parameters

• Formula: C36 H44 Ag N9 O7
• Calculated formula: C36 H44 Ag N9 O7
• SMILES: [Ag]12([n]3n(c(C)cc3C)C(n3[n]1c(cc3C)C)c1ccc(O)c(OC)c1)[n]1n(c(C)cc1C)C(n1[n]2c(cc1C)C)c1cc(OC)c(O)cc1.N(=O)(=O)[O-]
• Title of publication: Self assembly of silver(i) coordination polymers formed through hydrogen bonding with a new ditopic heteroscorpionate ligand
• Authors of publication: Santillan, Guillermo A.; Carrano, Carl J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 33
• Pages of publication: 6599 - 6605
• a: 9.5688 ± 0.0004 Å
• b: 15.7555 ± 0.0007 Å
• c: 24.7812 ± 0.0012 Å
• α: 90°
• β: 91.724 ± 0.002°
• γ: 90°
• Cell volume: 3734.4 ± 0.3 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 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: 0.0504
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No