Information card for entry 2005872

Structure parameters

• Chemical name: Di-[bis-(triphenylphosphoranylidene)-ammonium Fluoropentachloroosmate(IV) Hydrate
• Formula: C72 H62 Cl5 F N2 O Os P4
• Calculated formula: C72 H62 Cl5 F N2 O Os P4
• SMILES: [Os](Cl)(Cl)(Cl)(Cl)(Cl)F.N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O
• Title of publication: Bis[bis(triphenylphosphoranylidene)ammonium] Pentachlorofluoroosmate(IV) Hydrate, [(C~6~H~5~)~3~P= N= P(C~6~H~5~)~3~]~2~[OsFCl~5~].H~2~O
• Authors of publication: Bruhn, C.; Preetz, W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 63 - 66
• a: 21.374 ± 0.006 Å
• b: 13.072 ± 0.008 Å
• c: 23.771 ± 0.012 Å
• α: 90°
• β: 105.11 ± 0.03°
• γ: 90°
• Cell volume: 6412 ± 5 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1222
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections: 0.106
• Weighted residual factors for significantly intense reflections: 0.076
• Goodness-of-fit parameter for all reflections: 1.162
• Goodness-of-fit parameter for significantly intense reflections: 1.108
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No