Information card for entry 4309125

Structure parameters

• Formula: C51 H54 Cl6 Mn3 N12 O7 P2 S2
• Calculated formula: C51 H54 Cl6 Mn3 N12 O7 P2 S2
• Title of publication: Synthesis, Structure, and Stereochemistry of Trinuclear Metal Complexes Formed from the Phosphorus-Based Achiral Tripodal Ligand {P(S)[N(Me)NCHC6H4-o-OH]3} (LH3): Luminescent Properties of L2Cd3.2H2O
• Authors of publication: Vadapalli Chandrasekhar; Ramachandran Azhakar; Stefano Zacchini; Jamie F. Bickley; Alexander Steiner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4608 - 4615
• a: 21.0597 ± 0.001 Å
• b: 14.8212 ± 0.0007 Å
• c: 21.1365 ± 0.001 Å
• α: 90°
• β: 113.132 ± 0.001°
• γ: 90°
• Cell volume: 6066.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No