Information card for entry 7034676

Structure parameters

• Formula: C25 H34 N6
• Calculated formula: C25 H34 N6
• SMILES: Cc1cc(C)n(Cc2ccc(C(CC)(CC)c3ccc(Cn4c(C)cc(C)n4)[nH]3)[nH]2)n1
• 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: 9.324 ± 0.005 Å
• b: 11.439 ± 0.005 Å
• c: 12.29 ± 0.005 Å
• α: 67.236 ± 0.005°
• β: 77.689 ± 0.005°
• γ: 80.129 ± 0.005°
• Cell volume: 1175.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1733
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No