Information card for entry 7005803

Structure parameters

• Formula: C20 H18 I2 N2 O6 Pd
• Calculated formula: C20 H18 I2 N2 O6 Pd
• SMILES: C1OCCOC1.[Pd](C#[N]c1ccc(cc1)C(=O)O)(C#[N]c1ccc(cc1)C(=O)O)(I)I
• Title of publication: Functional isocyanide metal complexes as building blocks for supramolecular materials: hydrogen-bonded liquid crystals.
• Authors of publication: Coco, Silverio; Espinet, Elisa; Espinet, Pablo; Palape, Inés
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 30
• Pages of publication: 3267 - 3272
• a: 5.085 ± 0.004 Å
• b: 9.923 ± 0.008 Å
• c: 13.415 ± 0.011 Å
• α: 68.48 ± 0.013°
• β: 79.378 ± 0.015°
• γ: 83.335 ± 0.015°
• Cell volume: 618.1 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0934
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.2123
• Weighted residual factors for all reflections included in the refinement: 0.2187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No