Information card for entry 7102185

Structure parameters

• Formula: C100 H176 K2 N8 O15 Si2 Zn2
• Calculated formula: C88 H152 K2 N8 O12 Si2 Zn2
• SMILES: c1(c(C(C)C)cccc1C(C)C)N1[Zn]([Zn]2N(c3c(C(C)C)cccc3C(C)C)[Si](C)(C)N2c2c(C(C)C)cccc2C(C)C)N(c2c(C(C)C)cccc2C(C)C)[Si]1(C)C.C1C[O]2CC[N]34CC[O]5CC[O]6CC[N]78CC[O]9CC[O](CC3)[K]245689[O]1CC7.C1C[O]2CC[N]34CC[O]5CC[O]6CC[N]78CC[O]9CC[O](CC3)[K]245689[O]1CC7
• Title of publication: Structural transformations in dinuclear zinc complexes involving Zn-Zn bonds.
• Authors of publication: Tsai, Yi-Chou; Lu, Duan-Yen; Lin, Yang-Miin; Hwang, Jenn-Kang; Yu, Jen-Shiang K
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 40
• Pages of publication: 4125 - 4127
• a: 13.9744 ± 0.0003 Å
• b: 14.9998 ± 0.0003 Å
• c: 29.4819 ± 0.0008 Å
• α: 97.428 ± 0.001°
• β: 94.287 ± 0.001°
• γ: 98.875 ± 0.001°
• Cell volume: 6026.2 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2256
• Residual factor for significantly intense reflections: 0.0963
• Weighted residual factors for significantly intense reflections: 0.2257
• Weighted residual factors for all reflections included in the refinement: 0.2711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No