Information card for entry 1100784

Structure parameters

• Formula: C54 H58 Ag2 B2 F8 N12 O6 P2
• Calculated formula: C54 H58 Ag2 B2 F8 N12 O6 P2
• SMILES: [Ag]12[n]3n(C(n4[n]1ccc4)(n1[n]([Ag]4[n]5n(C(n6[n]4ccc6)(n4[n]2ccc4)COP(=O)(c2ccccc2)c2ccccc2)ccc5)ccc1)COP(=O)(c1ccccc1)c1ccccc1)ccc3.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O1CCCC1.O1CCCC1
• Title of publication: Supramolecular networks of silver(i) and iron(ii) complexes of the third generation tris(pyrazolyl)methane ligand Ph2(O)POCH2C(pz)3 (pz = pyrazolyl ring)
• Authors of publication: Reger, Daniel L.; Semeniuc, Radu F.; Smith, Mark D.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 17
• Pages of publication: 2253 - 2260
• a: 10.9754 ± 0.0008 Å
• b: 11.4045 ± 0.0008 Å
• c: 12.9314 ± 0.0009 Å
• α: 109.108 ± 0.001°
• β: 98.409 ± 0.001°
• γ: 102.747 ± 0.001°
• Cell volume: 1449.22 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No