Information card for entry 7034681

Structure parameters

• Formula: C58 H80 Cl4 N16 Pd2
• Calculated formula: C58 H80 Cl4 N16 Pd2
• SMILES: c12ccc(C(CC)(CC)c3ccc(Cn4c(C)cc(C)[n]4[Pd]([n]4c(C)cc(C)n4Cc4ccc(C(CC)(CC)c5ccc(Cn6c(C)cc(C)[n]6[Pd]([n]6c(C)cc(C)n6C1)(Cl)Cl)[nH]5)[nH]4)(Cl)Cl)[nH]3)[nH]2.CC#N.C(#N)C.C(#N)C.CC#N
• Title of publication: Synthesis and structural characterization of silver(i), copper(i) coordination polymers and a helicate palladium(ii) complex of dipyrrolylmethane-based dipyrazole ligands: the effect of meso substituents on structural formation.
• Authors of publication: Guchhait, Tapas; Barua, Bhagyasree; Biswas, Aritra; Basak, Biswanath; Mani, Ganesan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 19
• Pages of publication: 9091 - 9102
• a: 12.737 ± 0.003 Å
• b: 15.497 ± 0.003 Å
• c: 17.031 ± 0.004 Å
• α: 85.626 ± 0.006°
• β: 76.215 ± 0.007°
• γ: 81.105 ± 0.006°
• Cell volume: 3222.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.098
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1856
• Weighted residual factors for all reflections included in the refinement: 0.21
• 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