Information card for entry 2230537

Structure parameters

• Chemical name: Bis[<i>N</i>,<i>N</i>-bis(1-allyl-1<i>H</i>-benzimidazol-2- ylmethyl-κ<i>N</i>^3^)benzylamine-κ^N^]cadmium dipicrate
• Formula: C70 H62 Cd N16 O14
• Calculated formula: C70 H62 Cd N16 O14
• SMILES: [Cd]1234([N](Cc5ccccc5)(Cc5n(CC=C)c6ccccc6[n]15)Cc1n(CC=C)c5ccccc5[n]21)[N](Cc1ccccc1)(Cc1[n]3c2c(n1CC=C)cccc2)Cc1[n]4c2c(n1CC=C)cccc2.[O-]c1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.[O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O
• Title of publication: Bis[<i>N</i>,<i>N</i>-bis(1-allyl-1<i>H</i>-benzimidazol-2-ylmethyl-κ<i>N</i>^3^)benzylamine-κ<i>N</i>]cadmium dipicrate
• Authors of publication: Yuan, Jing-Kun; Bai, Ying; Kou, Fan; Jia, Fei; Wu, Hui-Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m800 - m801
• a: 13.903 ± 0.004 Å
• b: 14.146 ± 0.004 Å
• c: 19.33 ± 0.005 Å
• α: 90.595 ± 0.003°
• β: 110.89 ± 0.003°
• γ: 106.325 ± 0.003°
• Cell volume: 3382.5 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0682
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes