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Information card for entry 2219967
Preview
Coordinates | 2219967.cif |
---|---|
Structure factors | 2219967.hkl |
Original IUCr paper | HTML |
Chemical name | catena-Poly[[(1,12,15,26-tetraaza-5,8,19,22-tetraoxa-3,4:9,10:17,18:23,24- tetrabenzocyclooctacosane- κ^4^<i>N</i>^1^,<i>N</i>^12^,<i>N</i>^15^,<i>N</i>^26^)nickel(II)]- μ-terephthalato-κ^2^O^1^:O^4^] |
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Formula | C44 H48 N4 Ni O8 |
Calculated formula | C44 H48 N4 Ni O8 |
SMILES | [Ni]123(OC(=O)c4ccc(C(=O)[O-])cc4)([NH]4CC[NH]1Cc1c(cccc1)OCCOc1c(C[NH]2CC[NH]3Cc2c(cccc2)OCCOc2c(cccc2)C4)cccc1)OC(=O)c1ccc(C(=O)O[Ni]234[NH]5CC[NH]2Cc2c(cccc2)OCCOc2c(C[NH]3CC[NH]4Cc3c(cccc3)OCCOc3c(cccc3)C5)cccc2)cc1 |
Title of publication | <i>catena</i>-Poly[[(1,12,15,26-tetraaza-5,8,19,22-tetraoxa-3,4:9,10:17,18:23,24-tetrabenzocyclooctacosane-κ^4^<i>N</i>^1^,<i>N</i>^12^,<i>N</i>^15^,<i>N</i>^26^)nickel(II)]-μ-terephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^] |
Authors of publication | Meng, Shuang-Ming; Fan, Yue-Qin; Guo, Yong |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 11 |
Pages of publication | m1431 |
a | 11.407 ± 0.003 Å |
b | 16.575 ± 0.003 Å |
c | 21.675 ± 0.006 Å |
α | 90° |
β | 101.758 ± 0.01° |
γ | 90° |
Cell volume | 4012.1 ± 1.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1174 |
Residual factor for significantly intense reflections | 0.0631 |
Weighted residual factors for significantly intense reflections | 0.1349 |
Weighted residual factors for all reflections included in the refinement | 0.1551 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2219967.html
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