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Information card for entry 2014597
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 2014597.cif |
---|---|
Structure factors | 2014597.hkl |
Original IUCr paper | HTML |
Chemical name | μ-Oxo-bis{[(6-hydroxymethyl-2-pyridylmethyl)bis(2-pyridylmethyl)amine -κ^5^N,N',N'',N''',O]iron(III)} tetrakis(perchlorate) |
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Formula | C38 H40 Cl4 Fe2 N8 O19 |
Calculated formula | C38 H40 Cl4 Fe2 N8 O19 |
SMILES | c1cccc2[n]1[Fe]134([n]5c(cccc5)C[N]4(C2)Cc2[n]1c(ccc2)C[OH]3)O[Fe]1234[n]5ccccc5C[N]1(Cc1cccc[n]21)Cc1[n]3c(ccc1)C[OH]4.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
Title of publication | μ-Oxo-bis{[(6-hydroxymethyl-2-pyridylmethyl)bis(2-pyridylmethyl)amine-κ^5^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''',<i>O</i>]iron(III)} tetrakis(perchlorate) |
Authors of publication | Yun-Ling, Gao; Xiao-Jun, Peng; Shi-Guo, Sun; Chang-Neng, Chen; Li-Cheng, Sun |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 1 |
Pages of publication | m13 - m15 |
a | 24.0733 ± 0.0009 Å |
b | 9.9223 ± 0.0003 Å |
c | 20.5055 ± 0.0008 Å |
α | 90° |
β | 111.22 ± 0.002° |
γ | 90° |
Cell volume | 4565.9 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for significantly intense reflections | 0.0752 |
Weighted residual factors for significantly intense reflections | 0.1659 |
Weighted residual factors for all reflections included in the refinement | 0.191 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2014597.html
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