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Information card for entry 7020343
Preview
Coordinates | 7020343.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Cr7Ni(Etglu)F3Piv15]2(PyPz) |
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Formula | C179 H315 Cl10 Cr14 F6 N5 Ni2 O70 |
Calculated formula | C179 H315 Cl10 Cr14 F6 N5 Ni2 O70 |
SMILES | [Cr]12345[F][Ni]6([F][Cr]789([O]=C(O[Cr]%10%11%12([O]=C(O[Cr]%13%14%15([O]=C(O[Cr]%16%17%18([O]=C(O[Cr]%19%20%21([O]=C(O[Cr]([F]1)([O]=C(O4)C(C)(C)C)(OC(=[O]5)C(C)(C)C)([O]=C(O%19)C(C)(C)C)[O]%21C[C@@H]([O]%18%20)[C@@H]([O]%15%17)[C@H]([O]%12%14)[C@@H]([O]8%11)C[NH]9CC)C(C)(C)C)[O]=C(O%16)C(C)(C)C)C(C)(C)C)[O]=C(O%13)C(C)(C)C)C(C)(C)C)OC(=[O]%10)C(C)(C)C)C(C)(C)C)[O]=C(O7)C(C)(C)C)C(C)(C)C)[O]=C(O6)C(C)(C)C)(OC(=[O]2)C(C)(C)C)([O]=C(O3)C(C)(C)C)[n]1ccc(cc1)c1c[n]([Ni]2345[F][Cr]678([O]=C(O[Cr]9%10%11([O]=C(O[Cr]%12%13%14([O]=C(O[Cr]%15%16%17([O]=C(O[Cr]%18%19%20([O]=C(O[Cr]%21%22([F][Cr]([F]2)([O]=C(O3)C(C)(C)C)(OC(O4)C(C)(C)C)([O]=C(O%21)C(C)(C)C)OC(=[O]%22)C(C)(C)C)([O]=C(O%18)C(C)(C)C)[O]%20C[C@@H]([O]%17%19)[C@@H]([O]%14%16)[C@H]([O]%11%13)[C@@H]([O]7%10)C[NH]8CC)C(C)(C)C)[O]=C(O%15)C(C)(C)C)C(C)(C)C)[O]=C(O%12)C(C)(C)C)C(C)(C)C)[O]=C(O9)C(C)(C)C)C(C)(C)C)[O]=C(O6)C(C)(C)C)C(C)(C)C)[O]=C(O5)C(C)(C)C)[nH]c1.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl |
Title of publication | Controlling magnetic communication through aromatic bridges by variation in torsion angle. |
Authors of publication | Faust, Thomas B.; Tuna, Floriana; Timco, Grigore A.; Affronte, Marco; Bellini, Valerio; Wernsdorfer, Wolfgang; Winpenny, Richard E. P. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 44 |
Pages of publication | 13626 - 13631 |
a | 19.751 ± 0.004 Å |
b | 27.554 ± 0.006 Å |
c | 49.47 ± 0.01 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 26923 ± 10 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1493 |
Residual factor for significantly intense reflections | 0.1214 |
Weighted residual factors for significantly intense reflections | 0.3155 |
Weighted residual factors for all reflections included in the refinement | 0.3767 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.337 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7020343.html
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