Information card for entry 7032956

Structure parameters

• Formula: C34 H30 N6 O6
• Calculated formula: C34 H30 N6 O6
• SMILES: c1c2c3c(C(=O)N(C2=O)c2ccncc2)ccc2c3c(c1)C(=O)N(C2=O)c1ccncc1.O=C1N(CCC1)C.N1(CCCC1=O)C
• Title of publication: Lone pair-π interaction-induced generation of non-interpenetrated and photochromic cuboid 3-D naphthalene diimide coordination networks.
• Authors of publication: Liu, Jian-Jun; Hong, Yu-Jian; Guan, Ying-Fang; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wen-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 653 - 658
• a: 21.341 ± 0.005 Å
• b: 6.9041 ± 0.0014 Å
• c: 21.272 ± 0.004 Å
• α: 90°
• β: 103.3 ± 0.03°
• γ: 90°
• Cell volume: 3050.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No