Information card for entry 7017861

Structure parameters

• Formula: C34 H32 Br4 N4 O4 Zn2
• Calculated formula: C34 H32 Br4 N4 O4 Zn2
• SMILES: c12c(ccc(c1)Br)[O]1[Zn]34([NH](C2)CCC[N]3=Cc2c(O4)ccc(Br)c2)[O]2c3c(cc(cc3)Br)C[NH]3CCC[N]4=Cc5c(O[Zn]1234)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: 7.008 ± 0.0014 Å
• b: 10.081 ± 0.002 Å
• c: 13.095 ± 0.003 Å
• α: 100.62 ± 0.03°
• β: 95.51 ± 0.03°
• γ: 104.03 ± 0.03°
• Cell volume: 872.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1361
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No