Information card for entry 1568375

Structure parameters

• Formula: C57 H52 Cl2 O5 P2 Pd
• Calculated formula: C57 H52 Cl2 O5 P2 Pd
• SMILES: [Pd]1(Cl)([P](c2ccccc2)(c2cccc3C(C)(c4cccc([P]1(c1ccccc1)c1ccccc1)c4Oc23)C)c1ccccc1)C1=C(Cl)C(=O)c2c(cccc2)C1=O.O1CCCC1.O1CCCC1
• Title of publication: Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates
• Authors of publication: Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji
• Journal of publication: Polymer Chemistry
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 1007 - 1018
• a: 12.63 ± 0.0005 Å
• b: 13.0697 ± 0.0005 Å
• c: 16.0599 ± 0.0006 Å
• α: 67.524 ± 0.004°
• β: 81.219 ± 0.004°
• γ: 78.077 ± 0.004°
• Cell volume: 2388.82 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No