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Information card for entry 7008961
Preview
Coordinates | 7008961.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H48 Cu4 N20 O18 |
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Calculated formula | C30 H48 Cu4 N20 O18 |
Title of publication | Dinuclear and tetranuclear copper(II) complexes with bridging (N–N) diazine ligands: variable magnetic exchange topologies † |
Authors of publication | Xu, Zhiqiang; Thompson, Laurence K.; Matthews, Craig J.; Miller, David O.; Goeta, Andrés E.; Wilson, Claire; Howard, Judith A. K.; Ohba, Masaaki; Ōkawa, Hisashi |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2000 |
Journal issue | 1 |
Pages of publication | 69 |
a | 16.965 ± 0.003 Å |
b | 16.04 ± 0.009 Å |
c | 17.045 ± 0.003 Å |
α | 90° |
β | 100.72 ± 0.01° |
γ | 90° |
Cell volume | 4557 ± 3 Å3 |
Cell temperature | 299.2 K |
Ambient diffraction temperature | 299.2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0559 |
Residual factor for significantly intense reflections | 0.032 |
Weighted residual factors for all reflections | 0.033 |
Weighted residual factors for all reflections included in the refinement | 0.031 |
Goodness-of-fit parameter for all reflections | 1.459 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.56 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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277925 (current) | 2022-09-16 | cif/7/00/89/ Removed duplicate symmetry operations from the space group symmetry operation list and updated space group information in entry 7008961. |
7008961.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. |
7008961.cif |
129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7008961.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7008961.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7008961.cif |
3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7008961.cif |
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