Information card for entry 4310296

Structure parameters

• Formula: C34 H64 Cl3 Co N22 O6 P6
• Calculated formula: C34 H56 Cl3 Co N22 O6 P6
• SMILES: CN1[NH2][Co]234([N]5=P1(N=P1(N=P5(N(C)[NH2]2)N(C)N)Oc2ccccc2c2ccccc2O1)N(C)N)[N]1=P(N=P2(N=P1(N(C)[NH2]4)N(C)N)Oc1ccccc1c1ccccc1O2)(N(C)[NH2]3)N(C)N.[Cl-].[Cl-].[Cl-].OC.OC
• Title of publication: Cyclotriphosphazene Hydrazides as Efficient Multisite Coordination Ligands. η3-fac-non-geminal-N3 Coordination of spiro-N3P3[O2C12H8][N(Me)NH2]4(L) in L2CoCl3 and L2M(NO3)2 (M = Ni, Zn, Cd)
• Authors of publication: Vadapalli Chandrasekhar; Venkatasubbaiah Krishnan; Alexander Steiner; Jamie F. Bickley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 166 - 172
• a: 8.1714 ± 0.0012 Å
• b: 21.337 ± 0.003 Å
• c: 16.404 ± 0.002 Å
• α: 90°
• β: 94.92 ± 0.017°
• γ: 90°
• Cell volume: 2849.6 ± 0.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No