Information card for entry 7050714

Structure parameters

• Formula: C41 H50 Cd I2 N2 O6 P2 Ru
• Calculated formula: C41 H50 Cd I2 N2 O6 P2 Ru
• SMILES: [Ru]1([P](c2ccccc2)(c2ccccc2)C[N]2([Cd]1(I)I)CCOCC2)([P](c1ccccc1)(c1ccccc1)CN1CCOCC1)(C#[O])(C#[O])C#[O].CCOCC
• Title of publication: Hetero-binuclear complexes containing a Ru0→Mn+ bond bridged by P,N-phosphine ligands: convenient synthesis of tridentate organometallic trans-Ru(CO)3(L)2(L=phosphine bearing an N-donor substituent) ligands
• Authors of publication: Hai-Bin Song; Zheng-Zhi Zhang; Thomas C. W. Mak
• Journal of publication: New J. Chem.
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 1
• Pages of publication: 113 - 119
• a: 14.682 ± 0.003 Å
• b: 12.739 ± 0.003 Å
• c: 24.921 ± 0.005 Å
• α: 90°
• β: 91.54 ± 0.03°
• γ: 90°
• Cell volume: 4659.4 ± 1.7 ų
• Cell temperature: 293 ± 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: 0.0702
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No