Information card for entry 7024631

Structure parameters

• Formula: C102 H124 Cl6 Mn4 N10 Ni6 O34
• Calculated formula: C102 H124 Cl6 Mn4 N10 Ni6 O34
• Title of publication: Hydrogen bond assisted co-crystallization of a bimetallic MnIII2NiII2 cluster and a NiII2 cluster unit: synthesis, structure, spectroscopy and magnetism
• Authors of publication: Nayak, Sanjit; Aromí, Guillem; Teat, Simon J.; Ribas-Ariño, Jordi; Gamez, Patrick; Reedijk, Jan
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 20
• Pages of publication: 4986
• a: 12.042 ± 0.0013 Å
• b: 16.2062 ± 0.0018 Å
• c: 16.7613 ± 0.0018 Å
• α: 87.338 ± 0.002°
• β: 69.454 ± 0.002°
• γ: 71.207 ± 0.002°
• Cell volume: 2891.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No