Information card for entry 4077366

Structure parameters

• Formula: C26 H38 Br2 N4 Pd2
• Calculated formula: C26 H38 Br2 N4 Pd2
• SMILES: C1c2cccc3c2[Pd]2([N]1(CCC[N]1(Cc4cccc5C[N](CCC[N]2(C3)C)(C)[Pd]1(c45)Br)C)C)Br
• Title of publication: Synthesis and Structure of New Binuclear Organopalladium Macrocyclic Complexes
• Authors of publication: Tsubomura, Taro; Tanihata, Takayuki; Yamakawa, Tetsuya; Ohmi, Rakuko; Tamane, Tsuyoshi; Higuchi, Akon; Katoh, Akira; Sakai, Ken
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 18
• Pages of publication: 3833
• a: 16.545 ± 0.007 Å
• b: 10.21 ± 0.003 Å
• c: 8.428 ± 0.003 Å
• α: 90°
• β: 104.77 ± 0.04°
• γ: 90°
• Cell volume: 1376.7 ± 0.9 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No