Information card for entry 7037581

Structure parameters

• Formula: C32 H46 N18 O14 Pd2
• Calculated formula: C32 H42 N18 O12 Pd2
• SMILES: [Pd]12([n]3cccc(c3)c3nc(c4c[n]([Pd]5([n]6cc(c7nc(c8ccc[n]1c8)n[nH]7)ccc6)[NH](CC[NH]5C)C)ccc4)n[nH]3)[NH](CC[NH]2C)C.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Conformation-selective coordination-driven self-assembly of a ditopic donor with Pd(II) acceptors.
• Authors of publication: Howlader, Prodip; Mukherjee, Sandip; Saha, Rajat; Mukherjee, Partha Sarathi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 47
• Pages of publication: 20493 - 20501
• a: 15.6582 ± 0.0011 Å
• b: 17.0899 ± 0.0013 Å
• c: 19.6474 ± 0.0014 Å
• α: 67.026 ± 0.002°
• β: 71.13 ± 0.002°
• γ: 89.139 ± 0.002°
• Cell volume: 4542.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2189
• Residual factor for significantly intense reflections: 0.1021
• Weighted residual factors for significantly intense reflections: 0.2656
• Weighted residual factors for all reflections included in the refinement: 0.3065
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No