Information card for entry 7035337

Structure parameters

• Chemical name: (Bu4N)[Mo3S7Br4(phen).Br]
• Formula: C26.75 H36.25 Br5 Mo3 N3 S7
• Calculated formula: C26.75 H36.25 Br5 Mo3 N3 S7
• Title of publication: Synthesis and optical power limiting properties of heteroleptic Mo3S7 clusters.
• Authors of publication: Recatalá, David; Llusar, Rosa; Barlow, Adam; Wang, Genmiao; Samoc, Marek; Humphrey, Mark G.; Guschin, Artem L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 29
• Pages of publication: 13163 - 13172
• a: 11.969 ± 0.0003 Å
• b: 12.7039 ± 0.0004 Å
• c: 16.6526 ± 0.0005 Å
• α: 71.325 ± 0.003°
• β: 79.119 ± 0.002°
• γ: 65.163 ± 0.003°
• Cell volume: 2172.55 ± 0.13 ų
• Cell temperature: 200.05 ± 0.1 K
• Ambient diffraction temperature: 200.05 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No