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Information card for entry 7040738
Preview
Coordinates | 7040738.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C120 H112 Fe4 Ho4 N16 O25 Zn4 |
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Calculated formula | C120 H112 Fe4 Ho4 N16 O25 Zn4 |
SMILES | C1(=N[N]2[Zn]345[O]6[Ho]789%10%11([O]%12%13[Ho]%14%15%16%17%18([O]%19c%20cccc%21c%20[O]%15[Zn]%15%20([N](=C%21)N=C(C)[c]%21%22[cH]%23[cH]%24[cH]%25[cH]%21[Fe]%21%26%27%28%22%23%24%25[c]%22(C(=N[N]%15=Cc%15cccc(c%15[O]%16%20)[O]%14[Ho]%14%15%16%20%12%19[O]8c8cccc%12c8[O]%14[Zn]8%14([N](=C%12)N=C(C)[c]%12%19[cH]%23[cH]%24[cH]%25[cH]%12[Fe]%12%29%30%31%19%23%24%25[c]%19(C(=N[N]8=Cc8cccc(c8[O]%20%14)[O]%10%16)C)[cH]%12[cH]%29[cH]%30[cH]%31%19)[O]=C(O%15)C)C)[cH]%21[cH]%26[cH]%27[cH]%28%22)[O]=C(O%17)C)[O]8c%10cccc%12c%10[O]%10[Ho]%14%15%138([O]7c7cccc(c67)C=2)([O]=C(O[Zn]26%10[N](=C%12)N=C(C)[c]78[cH]%10[cH]%12[cH]%13[cH]7[Fe]7%16%17%198%10%12%13[c]8(C(=N[N]2=Cc2cccc(c2[O]%156)[O]%18%14)C)[cH]7[cH]%16[cH]%17[cH]%198)C)[O]9c2cccc(c2[O]5%11)C=[N]4N=C(C)[c]24[Fe]56789%10%11([c]%121[cH]5[cH]6[cH]7[cH]8%12)[cH]2[cH]9[cH]%10[cH]4%11)[O]=C(O3)C)C |
Title of publication | Windmill-shaped octanuclear Zn/Ln (Ln(III) = Dy, Tb, Ho) heterometallic ensembles supported by a tetraferrocene scaffold. |
Authors of publication | Chakraborty, Amit; Goura, Joydeb; Bag, Prasenjit; Bar, Arun Kumar; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 44 |
Pages of publication | 17633 - 17643 |
a | 26.4024 ± 0.0017 Å |
b | 26.4024 ± 0.0017 Å |
c | 11.9689 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8343.4 ± 1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 87 |
Hermann-Mauguin space group symbol | I 4/m |
Hall space group symbol | -I 4 |
Residual factor for all reflections | 0.1096 |
Residual factor for significantly intense reflections | 0.0634 |
Weighted residual factors for significantly intense reflections | 0.1624 |
Weighted residual factors for all reflections included in the refinement | 0.177 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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