From tetranuclear to pentanuclear [Co-Ln] (Ln = Gd, Tb, Dy, Ho) complexes across the lanthanide series: effect of varying sequence of ligand addition.
Basak, Dipmalya; Smythe, Lucy; Herchel, Radovan; Murrie, Mark; Nemec, Ivan; Ray, Debashis; Dalton transactions (Cambridge, England : 2003) 50 (2021) 11861–11877; doi:10.1039/d1dt02038b

data_7707863
_publ_section_title
;
 From tetranuclear to pentanuclear [Co-Ln] (Ln = Gd, Tb, Dy, Ho) complexes
 across the lanthanide series: effect of varying sequence of ligand
 addition.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11861
_journal_page_last               11877
_journal_paper_doi               10.1039/d1dt02038b
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C64 H110 Co3 Dy2 N4 O24'
_chemical_formula_sum            'C64 H110 Co3 Dy2 N4 O24'
_chemical_formula_weight         1821.34
_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'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-06-15 deposited with the CCDC.	2021-07-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_c                   18.662(7)
_cell_measurement_reflns_used    43443
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.102
_cell_measurement_theta_min      2.980
_cell_volume                     7921(5)
_computing_cell_refinement       'Bruker SMART'
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_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    Diamond
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_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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_unetI/netI     0.0392
_diffrn_reflns_Laue_measured_fraction_full 0.990
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_diffrn_reflns_theta_min         2.963
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.550
_exptl_absorpt_correction_T_max  0.665
_exptl_absorpt_correction_T_min  0.576
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1997)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.527
_exptl_crystal_description       Block
_exptl_crystal_F_000             3708
_exptl_crystal_size_max          0.22
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_exptl_crystal_size_min          0.16
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_refine_diff_density_min         -1.933
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     513
_refine_ls_number_reflns         6920
_refine_ls_number_restraints     82
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.0910
_refine_ls_R_factor_gt           0.0515
_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^)+(0.0448P)^2^+77.7733P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1125
_refine_ls_wR_factor_ref         0.1446
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4752
_reflns_number_total             6920
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt02038b2.cif
_cod_data_source_block           Complex4
_cod_depositor_comments
'Adding full bibliography for 7707862--7707866.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7707863
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              72283
_shelx_hkl_checksum              13010