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Information card for entry 4500491
Preview
Coordinates | 4500491.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Cu-Nitroisophthalate |
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Formula | C9 H5 Cu2 N6 O10 |
Calculated formula | C9 H5 Cu2 N6 O10 |
Title of publication | High-Throughput Study of the Cu(CH3COO)2·H2O−5-Nitroisophthalic Acid−Heterocyclic Ligand System: Synthesis, Structure, Magnetic, and Heterogeneous Catalytic Studies of Three Copper Nitroisophthalates |
Authors of publication | Sarma, Debajit; Ramanujachary, K. V.; Stock, Norbert; Natarajan, Srinivasan |
Journal of publication | Crystal Growth & Design |
Year of publication | 2011 |
Journal volume | 11 |
Journal issue | 4 |
Pages of publication | 1357 |
a | 6.4094 ± 0.0015 Å |
b | 14.857 ± 0.004 Å |
c | 16.066 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1529.9 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0656 |
Residual factor for significantly intense reflections | 0.049 |
Weighted residual factors for significantly intense reflections | 0.1113 |
Weighted residual factors for all reflections included in the refinement | 0.1216 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179535 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/04. |
4500491.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4500491.cif |
34516 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4500489, 4500490, 4500491 via cif-deposit CGI script. |
4500491.cif |
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Users of the data should acknowledge the original authors of the
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