Information card for entry 7007237

Structure parameters

• Formula: C10 H10 Cl Mo N O3
• Calculated formula: C10 H10 Cl Mo N O3
• SMILES: [Mo]1234(Cl)(C#[O])(C#[O])(C#[O])[cH]5[c]4(N(C)C)[cH]3[cH]2[cH]15
• Title of publication: Organometallic building blocks with amino-substituted cyclopentadienyl and boratabenzene ligands for the synthesis of heterometallic complexes and clusters.
• Authors of publication: Auvray, Nicolas; Basu Baul, Tushar S.; Braunstein, Pierre; Croizat, Pierre; Englert, Ulli; Herberich, Gerhard E.; Welter, Richard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 24
• Pages of publication: 2950 - 2958
• a: 8.825 ± 0.0003 Å
• b: 10.752 ± 0.0003 Å
• c: 12.808 ± 0.0004 Å
• α: 90°
• β: 99.38 ± 0.05°
• γ: 90°
• Cell volume: 1199.06 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No