Information card for entry 7021292

Structure parameters

• Formula: C30 H42 K2 N4 O3
• Calculated formula: C30 H42 K2 N4 O3
• SMILES: [K+].[K+].n1ccccc1/C=N/C1=C(/N=C/c2ncccc2)CCCC1.O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Metallopolymer formation using the (1R,2R)-N,N'-bis(pyridylmethylene)cyclohexane-1,2-diamine (BPID) ligand class.
• Authors of publication: Vasudevan, Kalyan V.; Smythe, Nathan C.; Scott, Brian L.; Gordon, John C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 4768 - 4771
• a: 7.3294 ± 0.0005 Å
• b: 17.2843 ± 0.0013 Å
• c: 24.3967 ± 0.0018 Å
• α: 90°
• β: 98.32 ± 0.001°
• γ: 90°
• Cell volume: 3058.1 ± 0.4 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No