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_7707864
_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 Ho2 N4 O24'
_chemical_formula_sum            'C64 H110 Co3 Ho2 N4 O24'
_chemical_formula_weight         1826.20
_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.
;
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_cell_volume                     7811(2)
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_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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     0.0745
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_correction_T_min  0.529
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_exptl_absorpt_process_details   'SADABS (Sheldrick, 1997)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_description       Block
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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         6908
_refine_ls_number_restraints     82
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.1182
_refine_ls_R_factor_gt           0.0558
_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^)+(0.0377P)^2^+57.7716P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1079
_refine_ls_wR_factor_ref         0.1406
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4149
_reflns_number_total             6908
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt02038b2.cif
_cod_data_source_block           Complex5
_cod_depositor_comments
'Adding full bibliography for 7707862--7707866.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7707864
_shelx_shelxl_version_number     2014/7
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