Information card for entry 7001858

Structure parameters

• Formula: C40 H52 Ag B F4 N8 O5
• Calculated formula: C40 H52 Ag B F4 N8 O5
• SMILES: [Ag]12([n]3n(c(cc3C)C)C(n3[n]1c(C)cc3C)c1cc(OC)c(O)cc1)[n]1n(c(cc1C)C)C(n1[n]2c(C)cc1C)c1cc(OC)c(O)cc1.O1CCCC1.[B](F)(F)(F)[F-]
• 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: 9.3894 ± 0.0007 Å
• b: 24.7239 ± 0.0018 Å
• c: 18.887 ± 0.0013 Å
• α: 90°
• β: 97.518 ± 0.004°
• γ: 90°
• Cell volume: 4346.8 ± 0.5 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 7
• 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: 0.0711
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No