Information card for entry 7126992

Structure parameters

• Formula: C32 H18 N6 Pd
• Calculated formula: C32 H18 N6 Pd
• SMILES: c1ccc2=C(c3ccc4c5ccc6C(=c7ccc[n]7[Pd]([n]12)(n34)n56)c1ccc(cc1)C#N)c1ccc(cc1)C#N
• Title of publication: Gleaned snapshots on the road to coordination polymers: heterometallic architectures based on Cu(I) metallaclips and 2,2'-bis-dipyrrin metalloligands.
• Authors of publication: Moutier, F.; Khalil, A. M.; Baudron, S. A.; Lescop, C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 72
• Pages of publication: 10501 - 10504
• a: 9.9898 ± 0.0005 Å
• b: 12.0743 ± 0.0006 Å
• c: 12.2286 ± 0.0005 Å
• α: 117.238 ± 0.002°
• β: 103.019 ± 0.002°
• γ: 98.413 ± 0.002°
• Cell volume: 1223.64 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No