Information card for entry 4335189

Structure parameters

• Formula: C10 H11 Cl Mo N4 O2
• Calculated formula: C10 H11 Cl Mo N4 O2
• SMILES: [Mo]1234(Cl)(c5n(n[n+](n5)C)C)([cH]5[cH]4[cH]3[cH]2[cH]15)(C#[O])C#[O]
• Title of publication: Synthesis and Comparison of Transition Metal Complexes of Abnormal and Normal Tetrazolylidenes: A Neglected Ligand Species
• Authors of publication: Lars-Arne Schaper; Xuhui Wei; Philipp J. Altmann; Karl Öfele; Alexander Pöthig; Markus Drees; János Mink; Eberhardt Herdtweck; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7031 - 7044
• a: 19.9942 ± 0.0002 Å
• b: 19.9942 ± 0.0002 Å
• c: 7.4709 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2986.63 ± 0.06 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No