Syntheses and crystal structures of benzene-sulfonate and -carboxylate copper polymers and their application in the oxidation of cyclohexane in ionic liquid under mild conditions.
Hazra, Susanta; Ribeiro, Ana P. C.; Guedes da Silva, M Fátima C; Nieto de Castro, Carlos A.; Pombeiro, Armando J. L.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 13957–13968; doi:10.1039/c6dt02271e

data_7040135
_publ_section_title
;
 Syntheses and crystal structures of benzene-sulfonate and -carboxylate
 copper polymers and their application in the oxidation of cyclohexane in
 ionic liquid under mild conditions.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13957
_journal_page_last               13968
_journal_paper_doi               10.1039/c6dt02271e
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C21 H14 Cu N2 O9 S'
_chemical_formula_weight         533.94
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-07-21 deposited with the CCDC.
2016-08-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.3790(10)
_cell_angle_gamma                90
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_cell_length_c                   15.5407(5)
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_cell_measurement_temperature    303(2)
_cell_measurement_theta_max      26.37
_cell_measurement_theta_min      2.65
_cell_volume                     2055.52(12)
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_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      303(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II PHOTON 100 detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0281
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_diffrn_reflns_Laue_measured_fraction_full 0.999
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_exptl_crystal_description       prism
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_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0409
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0514P)^2^+0.8959P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             4215
_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 7040135--7040136.cif.'
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