Information card for entry 4320543

Structure parameters

• Common name: ringPd
• Formula: C27 H35 Cl N6 O5 P2 Pd
• Calculated formula: C27 H35 Cl N6 O5 P2 Pd
• SMILES: [Pd](Cl)([n]1[nH]c(cc1C)C)([n]1[nH]c(cc1C)C)[n]1[nH]c(cc1C)C.P(=O)([O-])(OP(=O)(O)c1ccccc1)c1ccccc1
• Title of publication: Formation of a Novel Phenyldiphosphonic Acid Anion Dimer through Metal Assisted Hydrolysis of the P-N Bond
• Authors of publication: Savariraj Kingsley; Ashwani Vij; Vadapalli Chandrasekhar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6057 - 6060
• a: 12.5566 ± 0.005 Å
• b: 15.896 ± 0.006 Å
• c: 16.839 ± 0.006 Å
• α: 90°
• β: 101.351 ± 0.01°
• γ: 90°
• Cell volume: 3295 ± 2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• 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: 0.14
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No