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Information card for entry 4309742
Preview
| Coordinates | 4309742.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C106 H116 Cl4 Mn4 N18 O24 |
|---|---|
| Calculated formula | C106 H116 Cl4 Mn4 N18 O24 |
| SMILES | [Mn]12345([Mn]678([O]9[Mn]%10%11([OH2])[N](CC9C[N]6(Cc6[n]7c7ccccc7cc6)Cc6[n]8c7ccccc7cc6)(Cc6[n]%10c7ccccc7cc6)Cc6[n]%11c7ccccc7cc6)(O1)O2)[O]1[Mn]26([OH2])[N](CC1C[N]4(Cc1[n]3c3c(cc1)cccc3)Cc1[n]5c3ccccc3cc1)(Cc1[n]2c2ccccc2cc1)Cc1[n]6c2ccccc2cc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O(CC)CC.O(CC)CC.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC |
| Title of publication | N,N,N',N'-Tetrakis(2-quinolylmethyl)-2-hydroxy-1,3-propanediamine (Htqhpn) as a Supporting Ligand for a Low-Valent (μ-O)2 Tetranuclear Manganese Core |
| Authors of publication | Yuji Mikata; Motoko Wakamatsu; Haruka So; Yuriko Abe; Masahiro Mikuriya; Kôichi Fukui; Shigenobu Yano |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 7268 - 7270 |
| a | 14.178 ± 0.004 Å |
| b | 14.3 ± 0.004 Å |
| c | 15.741 ± 0.004 Å |
| α | 73.948 ± 0.012° |
| β | 69.661 ± 0.011° |
| γ | 69.339 ± 0.011° |
| Cell volume | 2756.6 ± 1.3 Å3 |
| Cell temperature | 173.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for all reflections included in the refinement | 0.129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKalpha |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4309742.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4309742.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309742.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309742.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309742.cif |
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Users of the data should acknowledge the original authors of the
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