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Information card for entry 7041164
Preview
Coordinates | 7041164.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H22 Cl Fe Mn N8 O4 |
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Calculated formula | C34 H22 Cl Fe Mn N8 O4 |
SMILES | [Fe]12(C#[N][Mn]345([N](=Cc6c(cccc6)O4)CC[N]3=Cc3ccccc3O5)[OH2])(C#N)(C#N)[n]3c(Cl)cccc3C(=O)N1c1cccc3ccc[n]2c13 |
Title of publication | Tuning of chain chirality by interchain stacking forces and the structure-property relationship in coordination systems constructed by meridional Fe(III) cyanide and Mn(III) Schiff bases. |
Authors of publication | Sohn, Ah Ram; Lim, Kwang Soo; Kang, Dong Won; Song, Jeong Hwa; Koh, Eui Kwan; Moon, Dohyun; Hong, Chang Seop |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 48 |
Pages of publication | 19416 - 19427 |
a | 13.013 ± 0.003 Å |
b | 10.537 ± 0.002 Å |
c | 25.601 ± 0.005 Å |
α | 90° |
β | 101.91 ± 0.03° |
γ | 90° |
Cell volume | 3434.8 ± 1.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0889 |
Residual factor for significantly intense reflections | 0.0678 |
Weighted residual factors for significantly intense reflections | 0.182 |
Weighted residual factors for all reflections included in the refinement | 0.1973 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
Diffraction radiation wavelength | 0.9 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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