Information card for entry 4315426

Structure parameters

• Formula: C86 H118 Mn3 N18 O6 P2 S2
• Calculated formula: C86 H118 Mn3 N18 O6 P2 S2
• SMILES: N1([N]2[Mn]34567[N]8N(P1(N([N]3=Cc1ccc(N(CC)CC)cc1[O]5[Mn]1357([O]4c4c(C=8)ccc(N(CC)CC)c4)([O]6c4c(C=2)ccc(c4)N(CC)CC)[O]2c4c(C=[N]6N(C)P7(N([N]8=Cc9ccc(N(CC)CC)cc9[O]1[Mn]15268[N](N7C)=Cc2ccc(N(CC)CC)cc2[O]31)C)=S)ccc(c4)N(CC)CC)C)=S)C)C.Cc1ccccc1.Cc1ccccc1
• Title of publication: Synthesis, Structure, and Two-Photon Absorption Studies of a Phosphorus-Based Tris Hydrazone Ligand (S)P[N(Me)N=CH-C6H3-2-OH-4-N(CH2CH3)2]3 and Its Metal Complexes
• Authors of publication: Vadapalli Chandrasekhar; Ramachandran Azhakar; Balasubramanian Murugesapandian; Tapas Senapati; Prasenjit Bag; Mrituanjay D. Pandey; Sandeep Kumar Maurya; Debabrata Goswami
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4008 - 4016
• a: 12.533 ± 0.003 Å
• b: 13.656 ± 0.003 Å
• c: 14.79 ± 0.003 Å
• α: 67.226 ± 0.004°
• β: 73.68 ± 0.004°
• γ: 71.295 ± 0.004°
• Cell volume: 2174.7 ± 0.8 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: 0.1125
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No