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_7704155
_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            'C44 H42 Cl2 Co2 N12 O Pt'
_chemical_formula_weight         1138.74
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-04-13 deposited with the CCDC.	2020-04-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_length_c                   17.0753(2)
_cell_measurement_reflns_used    9987
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      1.75
_cell_volume                     4295.23(9)
_computing_cell_refinement       Denzo-SMN
_computing_data_collection       'NONIUS COLLECT'
_computing_data_reduction        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      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.992
_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  0.0485
_diffrn_reflns_av_unetI/netI     0.0683
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.992
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_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -17
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_max         27.498
_diffrn_reflns_theta_min         1.765
_exptl_absorpt_coefficient_mu    4.188
_exptl_absorpt_correction_T_max  0.637
_exptl_absorpt_correction_T_min  0.382
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SORTAV (Blessing, 1995)'
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    1.761
_exptl_crystal_density_meas      ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2256
_exptl_crystal_size_max          0.440
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.100
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_refine_diff_density_min         -2.403
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         9783
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_refine_ls_restrained_S_all      0.977
_refine_ls_R_factor_all          0.0631
_refine_ls_R_factor_gt           0.0388
_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^)+(0.0436P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0814
_refine_ls_wR_factor_ref         0.0885
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7291
_reflns_number_total             9783
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt01088j2.cif
_cod_data_source_block           ic15153
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not_measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7704154--7704159.cif.
;
_cod_original_cell_volume        4295.22(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7704155
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.260
_shelx_estimated_absorpt_t_max   0.679
_shelx_res_checksum              94000