Information card for entry 7106119

Structure parameters

• Formula: C30 H29 Cl2 Cu N5 O10
• Calculated formula: C30 H29 Cl2 Cu N5 O10
• SMILES: [Cu]12([N](Cc3[n]1cccc3)(Cc1[n]2cccc1)c1ccc2c3c(cccc13)C(=O)N(C2=O)CCCC)([N]#CC)OCl(=O)(=O)=O.Cl(=O)(=O)(=O)[O-]
• Title of publication: A pellet-type optical nanomaterial of silica-based naphthalimide-DPA-Cu(II) complexes: recyclable fluorescence detection of pyrophosphate with high sensitivity
• Authors of publication: Jun feng Zhang; Minsung Park; WenXiu Ren; Youngmee Kim; Sung-Jin Kim; Jong Hwa Jung; Jong Seung Kim
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 3568
• a: 8.457 ± 0.0017 Å
• b: 23.015 ± 0.005 Å
• c: 26.227 ± 0.005 Å
• α: 71.39 ± 0.03°
• β: 88.55 ± 0.03°
• γ: 88.32 ± 0.03°
• Cell volume: 4835.1 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.4893
• Residual factor for significantly intense reflections: 0.1256
• Weighted residual factors for significantly intense reflections: 0.2695
• Weighted residual factors for all reflections included in the refinement: 0.3846
• Goodness-of-fit parameter for all reflections included in the refinement: 0.635
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No