Information card for entry 4309503

Structure parameters

• Formula: C20 H20 B F4 Mo N6 O2 P
• Calculated formula: C20 H20 B F4 Mo N6 O2 P
• SMILES: [Mo]1234([n]5c(P(c6n(cc[n]16)C=C)c1n(cc[n]21)C=C)n(cc5)C=C)(C#[O])(C#[O])C[CH]3=[CH2]4.[B](F)(F)(F)[F-]
• Title of publication: Highly Cross-linked Polymers Containing N,N',N''-Chelate Ligands for the Cu(II)-Mediated Hydrolysis of Phosphoesters
• Authors of publication: Alexander Schiller; Rosario Scopelliti; Meriem Benmelouka; Kay Severin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6482 - 6492
• a: 10.7335 ± 0.0004 Å
• b: 16.0022 ± 0.001 Å
• c: 13.629 ± 0.0009 Å
• α: 90°
• β: 94.322 ± 0.005°
• γ: 90°
• Cell volume: 2334.3 ± 0.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No