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Information card for entry 4326045
Preview
Coordinates | 4326045.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C70 H50 Cl6 Fe N8 O12 P2 |
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Calculated formula | C70 H50 Cl6 Fe N8 O12 P2 |
SMILES | c1cccc2[n]1[Fe]134([N](=Cc5ccccc5[P]3(c3ccccc3)c3ccccc3)N2)[n]2ccccc2N[N]1=Cc1ccccc1[P]4(c1ccccc1)c1ccccc1.N#CC.[O-]C1=C(Cl)C(=O)C([O-])=C(C1=O)Cl.O=C1C(=C(O)C(=O)C(=C1O)Cl)Cl.N#CC.O=C1C(=C(O)C(=O)C(=C1O)Cl)Cl |
Title of publication | Dimensionality Control of Vapochromic Hydrogen-Bonded Proton-Transfer Assemblies Composed of a Bis(hydrazone)iron(II) Complex |
Authors of publication | Mee Chang; Atsushi Kobayashi; Kiyohiko Nakajima; Ho-Chol Chang; Masako Kato |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 8308 - 8317 |
a | 20.708 ± 0.004 Å |
b | 12.233 ± 0.003 Å |
c | 26.914 ± 0.006 Å |
α | 90° |
β | 102.174 ± 0.001° |
γ | 90° |
Cell volume | 6665 ± 3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1288 |
Residual factor for significantly intense reflections | 0.0838 |
Weighted residual factors for significantly intense reflections | 0.1701 |
Weighted residual factors for all reflections included in the refinement | 0.1922 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4326045.html
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