Information card for entry 4512608

Structure parameters

• Formula: C66 H76 Cl2 Dy4 Mn2 N6 O22
• Calculated formula: C66 H76 Cl2 Dy4 Mn2 N6 O22
• SMILES: C[O]1c2cccc3c2[O]2[Dy]456781[O]1c9c(C=[N]%10N=C%11[O]%12[Dy]%13%14%151%10(OC(=[O]5)C(C)(C)C)[O]=C(O[Dy]15%10%16%17([O](C)c%18cccc%19c%18[O]1[Mn]%12([N](=C%19)c1ccccc%111)(Cl)[O]%13%16)[O]1c%11c(C=[N]%12N=C%13[O]%16[Dy]1%12([O]=C(O%10)C(C)(C)C)(OC(=[O]6)C(C)(C)C)([O]7[Mn]2%16([N](=C3)c1ccccc%131)Cl)([OH]%14%17)[OH]8%15)cccc%11[O]5C)C(C)(C)C)cccc9[O]4C
• Title of publication: Chair-Shaped MnII2LnIII4(Ln = Gd, Tb, Dy, Ho) Heterometallic Complexes Assembled from a Tricompartmental Aminobenzohydrazide Ligand
• Authors of publication: Chakraborty, Amit; Bag, Prasenjit; Goura, Joydeb; Bar, Arun Kumar; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 848
• a: 13.241 ± 0.005 Å
• b: 14.275 ± 0.005 Å
• c: 14.89 ± 0.005 Å
• α: 103.847 ± 0.005°
• β: 110.331 ± 0.005°
• γ: 101.321 ± 0.005°
• Cell volume: 2438.7 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No