Information card for entry 7017673

Structure parameters

• Common name: 1
• Formula: C52 H66 Ba O4 P2 Pt
• Calculated formula: C52 H66 Ba O4 P2 Pt
• SMILES: [Pt]1([P]([c]23[Ba]456789%10([O]%11CCCC%11)([O]%11CCCC%11)([O]%11CCCC%11)([cH]2[cH]4[cH]5[cH]36)[c]2([P]1(c1ccccc1)c1ccccc1)[cH]%10[cH]7[cH]8[cH]92)(c1ccccc1)c1ccccc1)(C)C.O1CCCC1
• Title of publication: Synthesis and characterisation of alkaline earth bis(diphenylphosphano)metallocene complexes and heterobimetallic alkaline earth metal/platinum(II) complexes [Ae(thf)(x)(η5-C5H4PPh2)2Pt(Me)2] (Ae = Ca, Sr, Ba).
• Authors of publication: Daniels, Daisy P.; Deacon, Glen B.; Harakat, Dominique; Jaroschik, Florian; Junk, Peter C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 1
• Pages of publication: 267 - 277
• a: 13.2232 ± 0.0003 Å
• b: 22.8323 ± 0.0006 Å
• c: 26.7122 ± 0.0007 Å
• α: 68.84 ± 0.001°
• β: 81.103 ± 0.001°
• γ: 75.637 ± 0.001°
• Cell volume: 7267 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0848
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No