Information card for entry 7023523

Structure parameters

• Formula: C57 H66 Cl7 N12 Nd O13 P2 S2 Zn2
• Calculated formula: C57 H66 Cl7 N12 Nd O13 P2 S2 Zn2
• SMILES: [Nd]123456789%10([O]%11[Zn]%12%13%14%15[O]2c2c(C=[N]%14N(P(=S)(N([N]%13=Cc%13cccc([O]1C)c%11%13)C)N([N]%15=Cc1cccc([O]5C)c1[O]4%12)C)C)cccc2[O]3C)[O]1[Zn]2345[O]7c7c(C=[N]3N(P(=S)(N([N]4=Cc3cccc([O]%10C)c3[O]92)C)N([N]5=Cc2cccc([O]6C)c12)C)C)cccc7[O]8C.[Cl-].ClC(Cl)Cl.ClC(Cl)Cl.OC
• Title of publication: A phosphorus-based compartmental ligand, (S)P[N(Me)N[double bond, length as m-dash]CH-C6H3-2-O-3-OMe]3 (LH3), enables the assembly of luminescent heterobimetallic linear {L2Zn2Ln}(+) [Ln = Gd, Tb, Nd and Eu] complexes.
• Authors of publication: Chandrasekhar, Vadapalli; Bag, Prasenjit; Murugesapandian, Balasubramanian; Pandey, Mrituanjay D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 43
• Pages of publication: 15447 - 15456
• a: 11.944 ± 0.005 Å
• b: 16.435 ± 0.005 Å
• c: 19.025 ± 0.005 Å
• α: 69.237 ± 0.005°
• β: 88.533 ± 0.005°
• γ: 89.435 ± 0.005°
• Cell volume: 3491 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No