Solid-state reaction among [CoCl4]2−, [CuCl4]2− and [CuCl4(H2O)]2− ions through transmetalation and liquid-assisted grinding
Li, Haitao; Guo, Zhenwei; Liu, Tie; Xin, Lianxin; Guo, Fang; CrystEngComm 26 (2024) 381–387; doi:10.1039/D3CE01038D

data_7247847
_publ_section_title
;
 Solid-state reaction among [CoCl4]2&#x2212;, [CuCl4]2&#x2212; and
 [CuCl4(H2O)]2&#x2212; ions through transmetalation and liquid-assisted
 grinding
;
_journal_issue                   3
_journal_name_full               CrystEngComm
_journal_page_first              381
_journal_page_last               387
_journal_paper_doi               10.1039/D3CE01038D
_journal_volume                  26
_journal_year                    2024
_chemical_formula_moiety         '2(Cl4 Zn), C14 H22 N4, 2(H2 O)'
_chemical_formula_sum            'C14 H26 Cl8 N4 O2 Zn2'
_chemical_formula_weight         696.73
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-11-17 deposited with the CCDC.	2023-12-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.659(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.9266(8)
_cell_length_b                   14.2573(12)
_cell_length_c                   10.4071(9)
_cell_measurement_reflns_used    8553
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.319
_cell_measurement_theta_min      3.078
_cell_volume                     1323.1(2)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0331
_diffrn_reflns_av_unetI/netI     0.0363
_diffrn_reflns_Laue_measured_fraction_full 0.967
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            7723
_diffrn_reflns_point_group_measured_fraction_full 0.967
_diffrn_reflns_point_group_measured_fraction_max 0.967
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         3.078
_exptl_absorpt_coefficient_mu    2.640
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.4382
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.749
_exptl_crystal_description       plate
_exptl_crystal_F_000             700
_exptl_crystal_size_max          0.89
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.579
_refine_diff_density_min         -0.554
_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     151
_refine_ls_number_reflns         2250
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0524
_refine_ls_R_factor_gt           0.0489
_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^)+(0.0624P)^2^+5.4708P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1358
_refine_ls_wR_factor_ref         0.1396
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2077
_reflns_number_total             2250
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3ce01038d2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7247846--7247849.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7247847
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.628
_shelx_estimated_absorpt_t_max   0.748
_shelx_res_checksum              5290
_shelx_hkl_checksum              98249