Information card for entry 7017864

Structure parameters

• Formula: C38 H34 Br4 Mn3 N4 O8
• Calculated formula: C38 H34 Br4 Mn3 N4 O8
• SMILES: c12C=[N]3CCC[N]4=Cc5c([O]6[Mn]734[O](c1ccc(c2)Br)[Mn]126([O]3c4c(cc(cc4)Br)C=[N]4CCC[N]6=Cc8c([O]1[Mn]346[O]=C(O2)C)ccc(Br)c8)[O]=C(O7)C)ccc(Br)c5
• Title of publication: The unprecedented preparation of dinuclear zinc(ii) complexes from 4-halido-2-[(3-cyclohexylaminopropylimino)methyl]phenol.
• Authors of publication: You, Zhong-Lu; Zhang, Mei; Xian, Dong-Mei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 8
• Pages of publication: 2515 - 2524
• a: 11.328 ± 0.002 Å
• b: 22.468 ± 0.005 Å
• c: 8.27 ± 0.0017 Å
• α: 90°
• β: 93.74 ± 0.03°
• γ: 90°
• Cell volume: 2100.4 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No