Modulating p-hydroxycinnamate behavior as a ditopic linker or photoacid in copper(ii) complexes with an auxiliary pyridine ligand.
Soldevila-Sanmartín, Joan; Calvet, Teresa; Font-Bardia, Merce; Domingo, Concepción; Ayllón, José A; Pons, Josefina; Dalton transactions (Cambridge, England : 2003) 47 (2018) 6479–6493; doi:10.1039/c8dt00645h

data_7046007
_publ_section_title
;
 Modulating p-hydroxycinnamate behavior as a ditopic linker or photoacid
 in copper(ii) complexes with an auxiliary pyridine ligand.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6479
_journal_page_last               6493
_journal_paper_doi               10.1039/c8dt00645h
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C36 H44 Cu N2 O8, C36 H42 Cu N2 O7'
_chemical_formula_sum            'C72 H86 Cu2 N4 O15'
_chemical_formula_weight         1374.52
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2012
_audit_update_record
;
2018-04-04 deposited with the CCDC.
2018-04-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_volume                     6710.7(4)
_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics    'Bruker SHELXTL'
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_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
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_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.671
_diffrn_measurement_device_type  'D8 Venture'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0717
_diffrn_reflns_av_unetI/netI     0.1086
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_diffrn_reflns_limit_k_min       -7
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_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            14428
_diffrn_reflns_point_group_measured_fraction_full 0.657
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_diffrn_reflns_theta_min         2.350
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_refine_ls_number_reflns         4433
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0898
_refine_ls_R_factor_gt           0.0472
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0534P)^2^]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0984
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                3034
_reflns_number_total             4433
_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 7046007--7046011.cif.'
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