Information card for entry 7000545

Structure parameters

• Formula: C36 H54 N4 O2 Re6 Se8
• Calculated formula: C36 H52 N4 O2 Re6 Se8
• SMILES: c1cc(cc[n]1[Re]1234567[Re]89%10%11%12%13([OH2])[Se]1[Re]1%14%15%164%10([n]4ccc(cc4)C(C)(C)C)[Re]4%10%17%182([OH2])([Re]2%1938([n]3ccc(cc3)C(C)(C)C)([Re]914([n]1ccc(cc1)C(C)(C)C)([Se]%102)([Se]%11%19)([Se]%15%18)[Se]%13%16)([Se]6%12)[Se]7%17)[Se]5%14)C(C)(C)C
• Title of publication: Selective functionalisation of Re6 cluster anionic units: from hexa-hydroxo [Re6Q8(OH)6]4− (Q = S, Se) to neutral trans-[Re6Q8L4L′2] hybrid building blocks
• Authors of publication: Dorson, Frédérick; Molard, Yann; Cordier, Stéphane; Fabre, Bruno; Efremova, Olga; Rondeau, David; Mironov, Yuri; Cîrcu, Viorel; Naumov, Nikolay; Perrin, Christiane
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 8
• Pages of publication: 1297
• a: 18.7088 ± 0.0006 Å
• b: 18.0938 ± 0.00005 Å
• c: 9.6298 ± 0.0003 Å
• α: 90°
• β: 109.34 ± 0.002°
• γ: 90°
• Cell volume: 3075.86 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No