Information card for entry 4323981

Structure parameters

• Formula: C27 H63 Cd Hf2 I O9
• Calculated formula: C29 Cd Hf2 I O7
• SMILES: [Hf]123([O]4([Hf]5([O]1([Cd]4(I)([O]3C(C)C)[O]5C(C)C)C(C)C)([O]2C(C)C)(#CC(C)C)#CC(C)C)C(C)C)(OC(C)C)OC(C)C
• Title of publication: Synthesis and Spectroscopic Characterization of Novel Heterotermetallic Isopropoxides: X-ray Crystal Structures of ICd{M2(OPri)9} and [{Cd(OPri)3}Ba{M2(OPri)9}]2 (M = Ti, Hf)
• Authors of publication: Michael Veith; Sanjay Mathur; Volker Huch
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 7295 - 7303
• a: 9.825 ± 0.002 Å
• b: 11.428 ± 0.002 Å
• c: 20.619 ± 0.003 Å
• α: 95.619 ± 0.012°
• β: 99.915 ± 0.011°
• γ: 111.347 ± 0.011°
• Cell volume: 2091.3 ± 0.7 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: 0.0605
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections: 0.1445
• Weighted residual factors for significantly intense reflections: 0.138
• Goodness-of-fit parameter for all reflections: 1.261
• Goodness-of-fit parameter for significantly intense reflections: 1.316
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No