Information card for entry 7025441

Structure parameters

• Formula: C150 H219 Cl2 Mn16 N45 Na4 O87
• Calculated formula: C150 H188 Cl2 Mn16 N45 Na4 O87
• SMILES: [Mn]12345[O]6[Mn]789([O]%10[Na]%11%12%13%14[O](c%15c([O]2%11)c(ccc%15)C=[N]4C(C[O]3[Mn]([O]7CC([N]8=Cc2c%10c([O]%12C)ccc2)(CO)CO)([O]2[Mn]36([O]1C)([O]%14c1c([O]%13C)cccc1C=[N]3C(C2)(CO)CO)[N]9=N#N)([OH]C)([OH2])N=N#[N]1[Mn]2346[O]7[Mn]89%101[O][Mn]1%117([O]7[Na]%12%13%14%15[O](c%16c([O]2%12)c(ccc%16)C=[N]6C(C[O]3[Mn]236([O]9CC([N]%10=Cc9c([O]8%14)c([O]%13C)ccc9)(CO)CO)([O]1CC([N]%11=Cc1c7c([O]%15C)ccc1)(CO)CO)[N](=N#N)[Mn]173([N]2=N#N)([O]2[Mn]389%10[O]%11[Mn]%12%13%14([OH][Mn]%15%16%11([O]%11[Na]%17%18([O](c%19c([O]3%17)c(ccc%19)C=[N]%10C(C2)(CO)CO)C)([O](c2c([O]%12%18)c(ccc2)C=[N]%14C(C[O]1%13)(CO)CO)C)[O](c1c%11c(ccc1)C=[N]%16C(C[O]7%15)(CO)CO)C)[N]9=N#N)[N]8=N#[N][Mn]12([O]3[Mn]789%10[O]%11[Mn]%12%13%14([O]%15[Na]%16%17([O](c%18c([O]8%16)c(ccc%18)C=[N]9C(C3)(CO)CO)C)([O](c3c%15c(ccc3)C=[N]%13C(C[O]1%12)(CO)CO)C)[O](c1c3[O]%17[Mn]8%11([O]7C)([O]2CC([N]8=Cc3ccc1)(CO)CO)[N]%14=N#N)C)[N]%10=N#N)([OH]C)[OH2])[N]6=N#N)(CO)CO)C)[N]4=N#N)(CO)CO)C)[N]5=N#N.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC.O.OC.O.O.O.O
• Title of publication: Constructing octa- and hexadecanuclear manganese clusters from tetrahedral Mn(III)(3)Mn(II) cores bridged by quinquedentate Schiff base and versatile azide groups.
• Authors of publication: Liu, Dan; Zhou, Qi; Chen, Yan; Yang, Fen; Yu, Yang; Shi, Zhan; Feng, Shouhua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 23
• Pages of publication: 5504 - 5508
• a: 54.078 ± 0.01 Å
• b: 12.4891 ± 0.0016 Å
• c: 36.093 ± 0.005 Å
• α: 90°
• β: 105.843 ± 0.014°
• γ: 90°
• Cell volume: 23451 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1643
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.197
• Weighted residual factors for all reflections included in the refinement: 0.2259
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No