Information card for entry 4332588

Structure parameters

• Formula: C36 H33 B F4 O3 P2 W2
• Calculated formula: C36 H30 B F4 O3 P2 W2
• SMILES: [W]123456([W]789%10([P]1(c1ccccc1)c1ccccc1)([P]2(c1ccccc1)c1ccccc1)(C#[O])[cH]1[cH]7[cH]8[cH]9[cH]%101)(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61.O.[B](F)(F)(F)[F-]
• Title of publication: M−P versus MM Bonds as Protonation Sites in the Organophosphide-Bridged Complexes [M2Cp2(μ-PR2)(μ-PR‘2)(CO)2], (M = Mo, W; R, R‘ = Ph, Et, Cy)†
• Authors of publication: Alvarez, M. Angeles; García, M. Esther; Martínez, M. Eugenia; Ramos, Alberto; Ruiz, Miguel A.; Sáez, David; Vaissermann, Jacqueline
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 6965 - 6978
• a: 40.032 ± 0.01 Å
• b: 40.032 ± 0.01 Å
• c: 9.257 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14835 ± 11 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0556
• Goodness-of-fit parameter for significantly intense reflections: 1.0343
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No