Information card for entry 4315425

Structure parameters

• Formula: C36 H51 Co N9 O3 P S
• Calculated formula: C36 H51 Co N9 O3 P S
• SMILES: [Co]12345[N](N(P(=S)(N([N]1=Cc1c(O4)cc(N(CC)CC)cc1)C)N([N]2=Cc1c(O5)cc(N(CC)CC)cc1)C)C)=Cc1c(O3)cc(N(CC)CC)cc1
• 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: 11.78 ± 0.002 Å
• b: 13.638 ± 0.003 Å
• c: 13.901 ± 0.003 Å
• α: 97.13 ± 0.03°
• β: 93.09 ± 0.03°
• γ: 93.36 ± 0.03°
• Cell volume: 2208 ± 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: 0.0867
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No