Information card for entry 7010665

Structure parameters

• Formula: C34 H28 Br4 N8 O14 Re4
• Calculated formula: C34 H28 Br4 N8 O14 Re4
• Title of publication: Self-assembly of tetrametallic square [Re4(CO)12Br4(μ-pz)4] (pz = pyrazine) from [Re(CO)4Br(pz)]. A mechanistic approach
• Authors of publication: T. Rajendran; Bala Manimaran; Fang-Yuan Lee; Po-Jui Chen; Su-Ching Lin; Gene-Hsiang Lee; Shie-Ming Peng; Yu-Ju Chen; Kuang-Lieh Lu
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2001
• Journal issue: 22
• Pages of publication: 3346 - 3351
• a: 21.3363 ± 0.0005 Å
• b: 21.3363 ± 0.0005 Å
• c: 15.5207 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7065.6 ± 0.4 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No