Information card for entry 7017863

Structure parameters

• Formula: C38 H34 Br4 N4 Ni3 O8
• Calculated formula: C38 H34 Br4 N4 Ni3 O8
• SMILES: C1=[N]2CCC[N]3=Cc4c([O]5[Ni]623[O]([Ni]235([O]=C(O6)C)[O]5c6c(cc(cc6)Br)C=[N]6CCC[N]7=Cc8c([O]2[Ni]567[O]=C(O3)C)ccc(Br)c8)c2c1cc(cc2)Br)ccc(Br)c4
• 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: 9.111 ± 0.004 Å
• b: 12.089 ± 0.006 Å
• c: 18.724 ± 0.008 Å
• α: 90°
• β: 92.117 ± 0.007°
• γ: 90°
• Cell volume: 2060.9 ± 1.6 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: 0.1213
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No