Information card for entry 7214809

Structure parameters

• Formula: C46 H43 Cl Mn2 N6 O13
• Calculated formula: C46 H41 Cl Mn2 N6 O13
• Title of publication: A rare supramolecular assembly involving ion pairs of coordination complexes with a host‒guest relationship: synthesis, crystal structure, photoluminescence and thermal study
• Authors of publication: Manna, Subal Chandra; Mistri, Soumen; Jana, Atish Dipankar
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 7415
• a: 11.813 ± 0.014 Å
• b: 18 ± 0.02 Å
• c: 22.3 ± 0.03 Å
• α: 90°
• β: 97.925 ± 0.01°
• γ: 90°
• Cell volume: 4696 ± 10 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1354
• Residual factor for significantly intense reflections: 0.1052
• Weighted residual factors for significantly intense reflections: 0.2084
• Weighted residual factors for all reflections included in the refinement: 0.2217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No