Information card for entry 4309872

Structure parameters

• Chemical name: Chloro(cycloocta-1,5-diene)(η^1^-1,3-di(tert-butyl)- 2,4-bis(2-methoxyphenoxy)-[1,3,2,4]diazadiphosphetidine rhodium(I)
• Formula: C30 H44 Cl N2 O4 P2 Rh
• Calculated formula: C30 H44 Cl N2 O4 P2 Rh
• SMILES: [Rh]123(Cl)([P]4(Oc5c(OC)cccc5)N(P(Oc5c(OC)cccc5)N4C(C)(C)C)C(C)(C)C)[CH]4CC[CH]1=[CH]2CC[CH]3=4
• Title of publication: Cyclodiphosphazanes with Hemilabile Ponytails: Synthesis, Transition Metal Chemistry (Ru(II), Rh(I), Pd(II), Pt(II)), and Crystal and Molecular Structures of Mononuclear (Pd(II), Rh(I)) and Bi- and Tetranuclear Rhodium(I) Complexes
• Authors of publication: P. Chandrasekaran; Joel T. Mague; Maravanji S. Balakrishna
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7925 - 7932
• a: 10.796 ± 0.001 Å
• b: 28.138 ± 0.002 Å
• c: 11.649 ± 0.005 Å
• α: 90°
• β: 115.86 ± 0.01°
• γ: 90°
• Cell volume: 3184.4 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0741
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No