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Information card for entry 4316701
Preview
Coordinates | 4316701.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H60 Gd Mn2 N7 O15 |
---|---|
Calculated formula | C58 H60 Gd Mn2 N7 O15 |
SMILES | c12c(cccc1OC)C=[N]1CC3(C[N]4=Cc5cccc6c5[O]5[Mn]7814[N](=Cc1cccc4c1[O]8[Gd]189%105([O]27)([O]2c5c(C=[N]7CC%11(C[N]%12=Cc%13c(c([O]%10C)ccc%13)[O]8[Mn]827%12[N](=Cc2c(c(ccc2)[O]9C)[O]18)C%11)C)cccc5OC)([O]6C)[O]4C)C3)C.O=N(=O)[O-] |
Title of publication | Face-Sharing Heterotrinuclear MII-LnIII-MII (M = Mn, Fe, Co, Zn; Ln = La, Gd, Tb, Dy) Complexes: Synthesis, Structures, and Magnetic Properties |
Authors of publication | Tomoka Yamaguchi; Jean-Pierre Costes; Yukana Kishima; Masaaki Kojima; Yukinari Sunatsuki; Nicolas Bréfuel; Jean-Pierre Tuchagues; Laure Vendier; Wolfgang Wernsdorfer |
Journal of publication | Inorganic Chemistry |
Year of publication | 2010 |
Journal volume | 49 |
Pages of publication | 9125 - 9135 |
a | 15.672 ± 0.0007 Å |
b | 15.9438 ± 0.0007 Å |
c | 24.5234 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6127.7 ± 0.5 Å3 |
Cell temperature | 180 K |
Ambient diffraction temperature | 180 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0411 |
Residual factor for significantly intense reflections | 0.0363 |
Weighted residual factors for significantly intense reflections | 0.0968 |
Weighted residual factors for all reflections included in the refinement | 0.0997 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation type | MoKα |
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/4316701.html
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Users of the data should acknowledge the original authors of the
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