Information card for entry 4315424

Structure parameters

• Formula: C36 H55 Fe N9 O5 P S
• Calculated formula: C36 H55 Fe N9 O5 P S
• SMILES: CN1[N]2=Cc3c(cc(cc3)N(CC)CC)O[Fe]3452[N](=Cc2c(cc(cc2)N(CC)CC)O4)N(P1(=S)N(C)[N]3=Cc1c(cc(cc1)N(CC)CC)O5)C.O.O
• 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: 12.073 ± 0.005 Å
• b: 12.073 ± 0.005 Å
• c: 32.033 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 120 ± 0.005°
• Cell volume: 4044 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.1881
• Residual factor for significantly intense reflections: 0.1766
• Weighted residual factors for significantly intense reflections: 0.4215
• Weighted residual factors for all reflections included in the refinement: 0.4259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No