Information card for entry 8106136

Structure parameters

• Formula: C19 H31 Ag N6 O3 P2
• Calculated formula: C19 H31 Ag N6 O3 P2
• SMILES: N12CN3C[P]([Ag]([P]45CN6CN(C5)CN(C4)C6)OC(=O)c4ccccc4)(CN(C1)C3)C2.O
• Title of publication: Crystal structure of benzoato-κO-bis(1,3,5-triaza-7-phosphaadamantane-κP)silver(I) monohydrate C19H31AgN6O3P2
• Authors of publication: Jacobs, Francois J.F.; Venter, Gertruida J.S.; Brink, Alice
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 2
• Pages of publication: 311 - 313
• a: 16.5661 ± 0.0008 Å
• b: 6.1644 ± 0.0003 Å
• c: 23.8822 ± 0.001 Å
• α: 90°
• β: 114.553 ± 0.003°
• γ: 90°
• Cell volume: 2218.32 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0206
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No