Information card for entry 7023521

Structure parameters

• Formula: C57 H66 Cl7 Gd N12 O13 P2 S2 Zn2
• Calculated formula: C57 H66 Cl7 Gd N12 O13 P2 S2 Zn2
• SMILES: [Gd]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]6C)c13)C)N([N]5=Cc1cccc([O]%10C)c1[O]92)C)C)cccc7[O]8C.ClC(Cl)Cl.ClC(Cl)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: 11.922 ± 0.005 Å
• b: 16.34 ± 0.005 Å
• c: 19.005 ± 0.005 Å
• α: 110.093 ± 0.005°
• β: 91.639 ± 0.005°
• γ: 90.033 ± 0.005°
• Cell volume: 3475 ± 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: 0.1014
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No