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Information card for entry 4509541
Preview
Coordinates | 4509541.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C75 H101.5 Fe6 N7.5 Na O19 |
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Calculated formula | C75 H96 Fe6 N7.5 Na O19 |
SMILES | c12ccc(cc1C[N]13CC[O]45[Fe]673(O2)[O](CC1)[Fe]1238[N](Cc9c(O1)ccc(c9)C)(CC[O]721)CC[O]3[Fe]2379[O]8%10CC[N]7(Cc7c(O3)ccc(c7)C)CC[O]9[Fe]3789[N](Cc%11c(ccc(c%11)C)O8)(CC[O]238)CC[O]9[Fe]239%11[N](Cc%12c(O9)ccc(c%12)C)(CC[O]729)CC[O]3[Fe]2374[N](Cc4c(O7)ccc(c4)C)(CC[O]2%11[Na]5189%10)CC[O]63)C.O.CC#N.CC#N |
Title of publication | Syntheses, Crystal Structures, and Magnetic Properties of Two Cyclic Clusters Comprising Six Iron(III)/Manganese(III) Ions and Entrapping Sodium Ions |
Authors of publication | Yang, Pei-Pei; Song, Hai-Bin; Gao, Xi-Feng; Li, Li-Cun; Liao, Dai-Zheng |
Journal of publication | Crystal Growth & Design |
Year of publication | 2009 |
Journal volume | 9 |
Journal issue | 9 |
Pages of publication | 4064 |
a | 23.178 ± 0.005 Å |
b | 24.882 ± 0.005 Å |
c | 28.509 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 16442 ± 6 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0744 |
Residual factor for significantly intense reflections | 0.0557 |
Weighted residual factors for significantly intense reflections | 0.1624 |
Weighted residual factors for all reflections included in the refinement | 0.1768 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4509541.html
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structural data.