Information card for entry 4348205

Structure parameters

• Formula: C78 H66 Mn N16 O8 S2
• Calculated formula: C78 H66 Mn N16 O8 S2
• SMILES: c1[n](ccn1CCCN1C(=O)c2cccc3c2c(ccc3)C1=O)[Mn]([n]1cn(cc1)CCCN1C(=O)c2cccc3cccc(c23)C1=O)([n]1cn(cc1)CCCN1C(=O)c2cccc3cccc(c23)C1=O)([n]1cn(cc1)CCCN1C(=O)c2cccc3cccc(c23)C1=O)(N=C=S)N=C=S.N#CC.N#CC
• Title of publication: Twisted conformations in complexes of N-(3-imidazol-1-yl-propyl)-1,8-naphthalimide and fluorescence properties
• Authors of publication: Nath, Jayanta Kumar; Baruah, Jubaraj B.
• Journal of publication: Inorg. Chem. Front.
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 4
• Pages of publication: 342
• a: 10.6242 ± 0.0007 Å
• b: 11.2787 ± 0.0006 Å
• c: 15.7505 ± 0.0009 Å
• α: 95.575 ± 0.004°
• β: 103.794 ± 0.004°
• γ: 99.258 ± 0.004°
• Cell volume: 1790.86 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No