Information card for entry 7709134

Structure parameters

• Formula: C83 H81 N41 Nd6 O39
• Calculated formula: C83 H73 N41 Nd6 O39
• Title of publication: A Nd6 molecular butterfly: a unique all-in-one material for SMM, MCE and maiden photosensitized opto-electronic device fabrication.
• Authors of publication: Das, Krishna Sundar; Saha, Sayan; Pal, Baishakhi; Adhikary, Amit; Moorthy, Shruti; Bala, Sukhen; Akhtar, Sohel; Ghose, Pradeepta Kumar; Singh, Saurabh Kumar; Ray, Partha Pratim; Mondal, Raju
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 1617 - 1633
• a: 25.0768 ± 0.0012 Å
• b: 17.7222 ± 0.0008 Å
• c: 30.3551 ± 0.0015 Å
• α: 90°
• β: 106.586 ± 0.002°
• γ: 90°
• Cell volume: 12929 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.1422
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.2226
• Weighted residual factors for all reflections included in the refinement: 0.2582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.57
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No