Information card for entry 2206966

Structure parameters

• Chemical name: bis(μ-diethyl 5,6,7,8,15,16-hexahydro-6,7-dioxo-5,8,14,17- tetraazadibenzo[a,g]cyclotetradecine-13,18- dicarboxylate)-1κ^4^N:2κ^2^O^6^,O^7^;2κO^6^,O^7^:3κ^4^N- dimethanoldinickel(II)zinc(II) bis(perchlorate)
• Formula: C50 H52 Cl2 N8 Ni2 O22 Zn
• Calculated formula: C50 H52 Cl2 N8 Ni2 O22 Zn
• Title of publication: A new heterotrinuclear macrocyclic complex: bis(μ-diethyl 5,6,7,8,15,16-hexahydro-6,7-dioxo-5,8,14,17-tetraazadibenzo[<i>a</i>,<i>g</i>]cyclotetradecine-13,18-dicarboxylato)-1κ^4^<i>N</i>:2κ^2^<i>O</i>^6^,<i>O</i>^7^;2κ<i>O</i>^6^,<i>O</i>^7^:3κ^4^<i>N</i>-dimethanoldinickel(II)zinc(II) bis(perchlorate)
• Authors of publication: Li, Xiao-Zeng; He, Jun-Hong; Zhang, Wen-Qin; Liu, Bao-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m2018 - m2020
• a: 10.4582 ± 0.0016 Å
• b: 12.8031 ± 0.0019 Å
• c: 21.161 ± 0.003 Å
• α: 90°
• β: 99.308 ± 0.002°
• γ: 90°
• Cell volume: 2796.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0468
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes