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Information card for entry 7015584
Preview
Coordinates | 7015584.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C89 H87.5 Eu Mn6 N12.5 Na2 O30.5 |
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Calculated formula | C89 H82 Eu Mn6 N12.5 Na2 O30.5 |
SMILES | [Eu]123456([O]7[Mn]89%10%11[O]%12[Na]%13%14%15([O](c%16c%12c(ccc%16)C=[N]9CC7)C)[O]7[Mn]9%12([O]1CC[N]9=Cc1c7c([O]%13C)ccc1)([O]28[Mn]12([O]%14c7c([O]%15C)cccc7C=[N]2CC[O]51)([O]=C(O%11)c1ccccc1)OC(=[O]%12)c1ccccc1)[N]%10=N#N)[O]1[Mn]2578[O]9c%10c([O](C)[Na]%11%12%139[O]9[Mn]%14%15([O]=C(O2)c2ccccc2)([O]3CC[N]%14=Cc2c9c([O]%11C)ccc2)[O]68[Mn]23([O]=C(O5)c5ccccc5)([O]%12c5c([O]%13C)cccc5C=[N]3CC[O]42)[N]%15=N#N)cccc%10C=[N]7CC1.O.O.O.N#CC |
Title of publication | Synthesis, structure and magnetic properties of a novel family of heterometallic nonanuclear Na(I)2Mn(III)6Ln(III) (Ln = Eu, Gd, Tb, Dy) complexes. |
Authors of publication | Yang, Pei-Pei; Wang, Xiao-Ling; Li, Li-Cun; Liao, Dai-Zheng |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 16 |
Pages of publication | 4155 - 4161 |
a | 14.365 ± 0.002 Å |
b | 14.473 ± 0.002 Å |
c | 16.09 ± 0.003 Å |
α | 115.254 ± 0.013° |
β | 102.58 ± 0.02° |
γ | 105.467 ± 0.017° |
Cell volume | 2696.7 ± 1.1 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0747 |
Residual factor for significantly intense reflections | 0.0661 |
Weighted residual factors for significantly intense reflections | 0.1853 |
Weighted residual factors for all reflections included in the refinement | 0.1923 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
291143 (current) | 2024-04-09 | cif/7: Fixing Z values and formulae |
7015584.cif |
176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7015584.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015584.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015584.cif |
21196 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015584, 7015585, 7015586, 7015587, 7015588 via cif-deposit CGI script. |
7015584.cif |
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