Information card for entry 7024340

Structure parameters

• Formula: C38 H70 Cl8 N2 O12 P4 Zr2
• Calculated formula: C38 H70 Cl8 N2 O12 P4 Zr2
• Title of publication: Phosphorus stabilized carbene complexes: bisphosphonate dianion synthesis, reactivity and DFT studies of O~C~O zirconium(IV) complexes.
• Authors of publication: Heuclin, Hadrien; Grünstein, Dan; Le Goff, Xavier-Frederic; Le Floch, Pascal; Mézailles, Nicolas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 492 - 499
• a: 13.038 ± 0.001 Å
• b: 13.797 ± 0.001 Å
• c: 17.773 ± 0.001 Å
• α: 103.393 ± 0.001°
• β: 91.348 ± 0.001°
• γ: 104.745 ± 0.001°
• Cell volume: 2996.1 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0555
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No