Information card for entry 4308854

Structure parameters

• Formula: C54 H58 Ag2 B2 F8 N12 O6 P2
• Calculated formula: C54 H58 Ag2 B2 F8 N12 O6 P2
• SMILES: [B](F)(F)(F)[F-].C12(COP(=O)(c3ccccc3)c3ccccc3)n3ccc[n]3[Ag]([n]3cccn13)[n]1cccn1C1(COP(=O)(c3ccccc3)c3ccccc3)n3ccc[n]3[Ag]([n]3cccn13)[n]1cccn21.O1CCCC1.[B](F)(F)(F)[F-].O1CCCC1
• Title of publication: An Unprecedented Coordination Mode of the Tris(pyrazolyl)methane Donor Set in {[Ph2(O)POCH2C(pz)3Ag]2(THF)2}(BF4)2: κ2-κ1 Bimetallic, Nσ/Nπ Chelating
• Authors of publication: Daniel L. Reger; Radu F. Semeniuc; Burjor Captain; Mark D. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 2995 - 2997
• 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