Single-crystal-to-single-crystal (SCSC) transformation and dissolution‒recrystallization structural transformation (DRST) among three new copper(ii) coordination polymers
Zhang, Xiao-Feng; Yan, Tong; Wang, Tao; Feng, Jing; Wang, Quan; Wang, Xiao; Du, Lin; Zhao, Qi-Hua; CrystEngComm 20 (2018) 570–; doi:10.1039/C7CE01919J

data_7229759
_publ_section_title
;
 Single-crystal-to-single-crystal (SCSC) transformation and
 dissolution--recrystallization structural transformation (DRST) among
 three new copper(ii) coordination polymers
;
_journal_issue                   5
_journal_name_full               CrystEngComm
_journal_page_first              570
_journal_paper_doi               10.1039/C7CE01919J
_journal_volume                  20
_journal_year                    2018
_chemical_formula_sum            'C56 H45.01 Cu5 N4 O24'
_chemical_formula_weight         1475.72
_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-2014/7
_audit_update_record
;
2017-07-31 deposited with the CCDC.
2017-12-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.855(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.368(5)
_cell_length_b                   16.900(3)
_cell_length_c                   14.759(4)
_cell_measurement_reflns_used    1106
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      17.41
_cell_measurement_theta_min      2.71
_cell_volume                     6282(2)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.1439
_diffrn_reflns_av_unetI/netI     0.1619
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            17409
_diffrn_reflns_point_group_measured_fraction_full 0.997
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_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         1.617
_exptl_absorpt_coefficient_mu    1.747
_exptl_crystal_colour            GREEN
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             2984
_refine_diff_density_max         0.819
_refine_diff_density_min         -0.686
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     494
_refine_ls_number_reflns         5511
_refine_ls_number_restraints     763
_refine_ls_restrained_S_all      0.913
_refine_ls_R_factor_all          0.1950
_refine_ls_R_factor_gt           0.0777
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1155P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1918
_refine_ls_wR_factor_ref         0.2358
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2326
_reflns_number_total             5511
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7ce01919j2.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7229758--7229760.cif.'
_cod_database_code               7229759
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              62246