Information card for entry 4325453

Structure parameters

• Formula: C27 H32 B2 Fe3 Mo2 O7 Se2
• Calculated formula: C27 H32 B2 Fe3 Mo2 O7 Se2
• SMILES: [Mo]12345678([Se]9[Mo]%10%11%12%13%14%15%16([Fe]%17%18%191([Fe]1%20([Fe]29%10%18([BH]4%19)([B]%12%171[H]%20)(C#[O])C#[O])(C#[O])(C#[O])C#[O])([Se]3%11)(C#[O])C#[O])[c]1([c]%14([c]%15([c]%16([c]%131C)C)C)C)C)[c]1([c]6([c]7([c]8([c]51C)C)C)C)C
• Title of publication: Cluster Expansion Reactions of Group 6 and 8 Metallaboranes Using Transition Metal Carbonyl Compounds of Groups 7-9
• Authors of publication: K. Geetharani; Shubhankar Kumar Bose; Satyanarayan Sahoo; Babu Varghese; Shaikh M. Mobin; Sundargopal Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5824 - 5832
• a: 12.2619 ± 0.0004 Å
• b: 13.3712 ± 0.0003 Å
• c: 21.2481 ± 0.0006 Å
• α: 90°
• β: 106.675 ± 0.003°
• γ: 90°
• Cell volume: 3337.26 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0205
• Residual factor for significantly intense reflections: 0.0172
• Weighted residual factors for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.0423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No