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Information card for entry 7038324
Preview
Coordinates | 7038324.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C82 H68 F16 N16 Ni4 O12 |
---|---|
Calculated formula | C82 H68 F16 N16 Ni4 O12 |
SMILES | c1cccc2C3(c4cccc[n]4[Ni]4567[n]8c(C9([O]%106[Ni]([n]12)([n]1ccccc91)(N=C=Nc1cc(c(cc1)F)C(F)(F)F)([O]35)[N](=C=Nc1cc(c(F)cc1)C(F)(F)F)[Ni]123%10[n]5c(C6(c9cccc[n]9[Ni]9([N]4=C=Nc4cc(c(cc4)F)C(F)(F)F)([n]4ccccc4C([O]739)(O)c3[n]1cccc3)(N=C=Nc1cc(c(F)cc1)C(F)(F)F)[O]26)OC)cccc5)O)cccc8)OC.OC.OC.OC.OC |
Title of publication | μ1,1-R-phenylcyanamido bridges as a new safe synthetic strategy for ferromagnetic molecular clusters. |
Authors of publication | Speed, Saskia; Casanovas, Berta; Vicente, Ramon |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 12 |
Pages of publication | 5395 - 5403 |
a | 12.5027 ± 0.0004 Å |
b | 21.7883 ± 0.0007 Å |
c | 15.8999 ± 0.0004 Å |
α | 90° |
β | 107.446 ± 0.002° |
γ | 90° |
Cell volume | 4132.1 ± 0.2 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0847 |
Residual factor for significantly intense reflections | 0.0485 |
Weighted residual factors for significantly intense reflections | 0.1062 |
Weighted residual factors for all reflections included in the refinement | 0.1203 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
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/7038324.html
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Users of the data should acknowledge the original authors of the
structural data.