A novel μ<sub>3</sub>-CO<sub>3</sub> bridged linear polymeric Cu-complex ([Cu<sub>3</sub>(DMAP)<sub>8</sub>(μ<sub>3</sub>-CO<sub>3</sub>)<sub>2</sub>]I<sub>2</sub>) <sub><i>n</i></sub> ·<i>x</i>H<sub>2</sub>O: synthesis, characterization and catalytic applications in the synthesis of phenoxypyrimidines and arylthiopyrimidines <i>via</i> C-O and C-S cross-coupling reactions.
Bhuyan, Amar Jyoti; Nath, Partha Pratim; Bharali, Sourav Jyoti; Saikia, Lakhinath; RSC advances 14 (2024) 18478–18488; doi:10.1039/d4ra00001c

data_7248857
_publ_section_title
;
 A novel &#x3bc;<sub>3</sub>-CO<sub>3</sub> bridged linear polymeric
 Cu-complex
 ([Cu<sub>3</sub>(DMAP)<sub>8</sub>(&#x3bc;<sub>3</sub>-CO<sub>3</sub>)<sub>2</sub>]I<sub>2</sub>)
 <sub><i>n</i></sub> &#xb7;<i>x</i>H<sub>2</sub>O: synthesis,
 characterization and catalytic applications in the synthesis of
 phenoxypyrimidines and arylthiopyrimidines <i>via</i> C-O and C-S
 cross-coupling reactions.
;
_journal_issue                   26
_journal_name_full               'RSC advances'
_journal_page_first              18478
_journal_page_last               18488
_journal_paper_doi               10.1039/d4ra00001c
_journal_volume                  14
_journal_year                    2024
_chemical_formula_moiety         ([Cu3(DMAP)8(CO3)2]I2)n.xH2O
_chemical_formula_sum            'C58 H88 Cu3 I2 N16 O10'
_chemical_formula_weight         1613.86
_chemical_name_systematic        'Polymeric Cu-complex'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-12-04 deposited with the CCDC.	2024-05-26 downloaded from the CCDC.
;
_cell_angle_alpha                76.079(2)
_cell_angle_beta                 80.501(2)
_cell_angle_gamma                79.118(2)
_cell_formula_units_Z            1
_cell_length_a                   10.2357(4)
_cell_length_b                   12.1215(5)
_cell_length_c                   14.9718(6)
_cell_measurement_reflns_used    8771
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.5
_cell_measurement_theta_min      1.4
_cell_volume                     1756.60(12)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0608
_diffrn_reflns_av_unetI/netI     0.0433
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            63410
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.491
_diffrn_reflns_theta_min         1.412
_exptl_absorpt_coefficient_mu    1.842
_exptl_crystal_colour            'dark blue'
_exptl_crystal_density_diffrn    1.526
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             821
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: H2O'
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.020
_refine_diff_density_min         -1.011
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         8771
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0731
_refine_ls_R_factor_gt           0.0453
_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^)+(0.0556P)^2^+1.9964P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1110
_refine_ls_wR_factor_ref         0.1251
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6184
_reflns_number_total             8771
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4ra00001c2.cif
_cod_data_source_block           shelx
_cod_database_code               7248857
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              48219
_shelx_hkl_checksum              57085