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Information card for entry 1518558
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1518558.cif |
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Original paper (by DOI) | HTML |
Formula | C7 H6 I Na O3 |
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Calculated formula | C7 H4 I Na O3 |
SMILES | C(=O)(c1cc(ccc1)I)[O-].[Na+].O |
Title of publication | Mesophases and Ionic Conductivities of Simple Organic Salts of M(m-Iodobenzoate) (M = Li(+), Na(+), K(+), Rb(+), and Cs(+)). |
Authors of publication | Endo, Manami; Nakane, Yuta; Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Noro, Shin-Ichiro; Nakamura, Takayoshi; Akutagawa, Tomoyuki |
Journal of publication | The journal of physical chemistry. B |
Year of publication | 2015 |
Journal volume | 119 |
Journal issue | 4 |
Pages of publication | 1768 - 1777 |
a | 6.86202 ± 0.00014 Å |
b | 7.02675 ± 0.00017 Å |
c | 18.4262 ± 0.0003 Å |
α | 84.11 ± 0.0013° |
β | 82.711 ± 0.0011° |
γ | 89.611 ± 0.0014° |
Cell volume | 876.62 ± 0.03 Å3 |
Cell temperature | 107 K |
Ambient diffraction temperature | 107 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0962 |
Residual factor for significantly intense reflections | 0.0825 |
Weighted residual factors for significantly intense reflections | 0.194 |
Weighted residual factors for all reflections included in the refinement | 0.2141 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
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/1518558.html
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Users of the data should acknowledge the original authors of the
structural data.