Information card for entry 2243507

Structure parameters

• Chemical name: Diaquabis{μ-1,5-bis[(pyridin-2-yl)methylidene]carbonohydrazide(1-)}di-μ-chlorido-tetrachloridotetrazinc(II)
• Formula: C26 H26 Cl6 N12 O4 Zn4
• Calculated formula: C26 H26 Cl6 N12 O4 Zn4
• SMILES: c1cc2C=[N]3NC4N([N]5=Cc6[n]([Zn]5([O]=4)(Cl)Cl)cccc6)[Zn]43([n]2cc1)([OH2])[Cl][Zn]12([n]3ccccc3C=[N]1NC1N2[N]2=Cc3[n](cccc3)[Zn]2([O]=1)(Cl)Cl)([OH2])[Cl]4
• Title of publication: Diaquabis{μ-1,5-bis[(pyridin-2-yl)methylidene]carbonohydrazide(1‒)}di-μ-chlorido-tetrachloridotetrazinc(II)
• Authors of publication: Seck, Thierno Moussa; Gaye, Papa Aly; Ndoye, Cheikh; Thiam, Ibrahima Elhadji; Diouf, Ousmane; Retailleau, Pascal; Gaye, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 8
• Pages of publication: 1349 - 1352
• a: 9.2002 ± 0.0004 Å
• b: 9.4306 ± 0.0004 Å
• c: 11.7651 ± 0.0004 Å
• α: 94.639 ± 0.003°
• β: 110.091 ± 0.004°
• γ: 97.599 ± 0.003°
• Cell volume: 941.46 ± 0.07 ų
• Cell temperature: 293 ± 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: 0.0526
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes