Information card for entry 7008968

Structure parameters

• Formula: C56 H40 Ag B F4 N4 O4
• Calculated formula: C56 H40 Ag B F4 N4 O4
• SMILES: [Ag]12([n]3c(ccc4c3c3c(cc4)ccc([n]13)c1c(cccc1OC)OC)c1c(cccc1OC)OC)[n]1ccc(C#Cc3ccccc3)c3c1c1c(cc3)c(cc[n]21)C#Cc1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Heteroleptic silver(I) and zinc(II) bis(phenanthroline) complexes
• Authors of publication: Schmittel, Michael; Ganz, Andrea; Fenske, Dieter; Herderich, Markus
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 3
• Pages of publication: 353
• a: 11.448 ± 0.002 Å
• b: 11.891 ± 0.002 Å
• c: 18.19 ± 0.004 Å
• α: 72.08 ± 0.03°
• β: 89.71 ± 0.03°
• γ: 78.22 ± 0.03°
• Cell volume: 2302 ± 0.9 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections: 0.1554
• Weighted residual factors for significantly intense reflections: 0.1214
• Goodness-of-fit parameter for all reflections: 0.378
• Goodness-of-fit parameter for significantly intense reflections: 0.321
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No