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Information card for entry 4340557
Preview
Coordinates | 4340557.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H66 N18 Ni3 O18 |
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Calculated formula | C66 H42 N18 Ni3 O18 |
SMILES | c12[n]3[Ni]4567N(C(=O)c8cccc[n]78)c7c8[n](ccc7)[Ni]79%10(N(C(=O)c%11cccc[n]%10%11)c%10c%11[n](ccc%10)[Ni]%10%12(N(C(=O)c%13cccc[n]%12%13)c1ccc3)([n]1c(cccc1)C(=O)N%10c1c%11[n]7ccc1)[n]1c2c(N6C(=O)c2[n]4cccc2)ccc1)[n]1c(cccc1)C(=O)N9c1c8[n]5ccc1.O.O.O.O.O.O.O.O.O.O.O.O |
Title of publication | Exploring the Coordination Chemistry of 3,3'-Di(picolinamoyl)-2,2'-bipyridine: One Ligand, Multiple Nuclearities. |
Authors of publication | Hurley, Nicholas J.; Hayward, John J.; Rawson, Jeremy M.; Murrie, Mark; Pilkington, Melanie |
Journal of publication | Inorganic chemistry |
Year of publication | 2014 |
Journal volume | 53 |
Journal issue | 16 |
Pages of publication | 8610 - 8623 |
a | 23.843 ± 0.003 Å |
b | 23.843 ± 0.003 Å |
c | 20.481 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 10083 ± 4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 167 |
Hermann-Mauguin space group symbol | R -3 c :H |
Hall space group symbol | -R 3 2"c |
Residual factor for all reflections | 0.0958 |
Residual factor for significantly intense reflections | 0.0605 |
Weighted residual factors for significantly intense reflections | 0.1603 |
Weighted residual factors for all reflections included in the refinement | 0.1971 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
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/4340557.html
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Users of the data should acknowledge the original authors of the
structural data.