Structures and paramagnetism of five heterometallic pentanuclear metal strings containing as many as four different metals: NiPtCo<sub>2</sub>Pd(tpda)<sub>4</sub>Cl<sub>2</sub>.
Cheng, Ming-Chuan; Huang, Rui-Xiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Lee, Gene-Hsiang; Song, You; Lin, Tien-Sung; Peng, Shie-Ming; Dalton transactions (Cambridge, England : 2003) 49 (2020) 7299–7303; doi:10.1039/d0dt01088j

data_7704156
_publ_section_title
;
 Structures and paramagnetism of five heterometallic pentanuclear metal
 strings containing as many as four different metals:
 NiPtCo<sub>2</sub>Pd(tpda)<sub>4</sub>Cl<sub>2</sub>.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7299
_journal_page_last               7303
_journal_paper_doi               10.1039/d0dt01088j
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C60.5 H45 Cl3 Co3 N20 Pd Pt'
_chemical_formula_weight         1636.79
_chemical_name_systematic        CoPtCo2Pd(tpda)4Cl2
_space_group_crystal_system      tetragonal
_space_group_IT_number           87
_space_group_name_Hall           '-I 4'
_space_group_name_H-M_alt        'I 4/m'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-11-19 deposited with the CCDC.	2020-04-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.5398(6)
_cell_length_b                   10.5398(6)
_cell_length_c                   27.1120(14)
_cell_measurement_reflns_used    6045
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      1.50
_cell_volume                     3011.8(3)
_computing_cell_refinement       'Bruker DENZO-SMN'
_computing_data_collection       'Bruker COLLECT'
_computing_data_reduction        'Bruker DENZO-SMN'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'NONIUS KappaCCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_av_unetI/netI     0.0338
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            6035
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.479
_diffrn_reflns_theta_min         2.969
_exptl_absorpt_coefficient_mu    3.608
_exptl_absorpt_correction_T_max  0.636
_exptl_absorpt_correction_T_min  0.563
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SORTAV (Blessing, 1995)'
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    1.805
_exptl_crystal_description       block
_exptl_crystal_F_000             1608
_exptl_crystal_size_max          0.167
_exptl_crystal_size_mid          0.155
_exptl_crystal_size_min          0.127
_refine_diff_density_max         1.303
_refine_diff_density_min         -0.767
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     196
_refine_ls_number_reflns         1757
_refine_ls_number_restraints     38
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0534
_refine_ls_R_factor_gt           0.0369
_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^)+(0.0697P)^2^+3.6106P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1102
_refine_ls_wR_factor_ref         0.1199
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1370
_reflns_number_total             1757
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt01088j2.cif
_cod_data_source_block           ic17480
_cod_depositor_comments
'Adding full bibliography for 7704154--7704159.cif.'
_cod_original_cell_volume        3011.8(4)
_cod_original_formula_sum        'C60.50 H45 Cl3 Co3 N20 Pd Pt'
_cod_database_code               7704156
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.584
_shelx_estimated_absorpt_t_max   0.657
_shelx_res_checksum              65708