Synthesis and reactivity of acyclic heterotrinuclear metal complexes.
Sahoo, Rajata Kumar; Wölper, Christoph; Möbius, Joost; Schulz, Stephan; Chemical communications (Cambridge, England) 61 (2025) 16774–16777; doi:10.1039/d5cc03627e

data_7135016
_publ_section_title
;
 Synthesis and reactivity of acyclic heterotrinuclear metal complexes.
;
_journal_issue                   86
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              16774
_journal_page_last               16777
_journal_paper_doi               10.1039/d5cc03627e
_journal_volume                  61
_journal_year                    2025
_chemical_formula_sum            'C74 H113.5 Ga N4 Si Zn'
_chemical_formula_weight         1222.36
_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
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2025-06-25 deposited with the CCDC.	2025-09-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.366(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.5328(12)
_cell_length_b                   19.9362(13)
_cell_length_c                   20.5665(14)
_cell_measurement_reflns_used    9551
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      79.48
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_cell_volume                     7176.4(8)
_computing_cell_refinement       'Bruker APEX3(v2017.3-0)'
_computing_data_collection       'Bruker APEX3(v2017.3-0)'
_computing_data_reduction        'Bruker APEX3(v2017.3-0)'
_computing_molecular_graphics    'ORTEP/PLATON (Spek)'
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_computing_structure_solution    'Bruker APEX3(v2017.3-0)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 7.3910
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker D8 Venture (Photon II detector)'
_diffrn_measurement_method       'Data collection strategy APEX 3/Queen'
_diffrn_radiation_monochromator  'multilayer mirror'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0664
_diffrn_reflns_av_unetI/netI     0.0184
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
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_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       22
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_diffrn_reflns_number            182700
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         80.400
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_diffrn_source                   'micro-focus sealed tube'
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_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_correction_T_min  0.48
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Blessing, Acta Cryst 1995 A51 33-38'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.131
_exptl_crystal_description       block
_exptl_crystal_F_000             2642
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_exptl_crystal_size_min          0.156
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0494
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0488P)^2^+14.7280P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1185
_refine_ls_wR_factor_ref         0.1217
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7242
_reflns_number_total             7803
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5cc03627e2.cif
_cod_data_source_block           sah_117m
_cod_depositor_comments
'Adding full bibliography for 7135011--7135020.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C74 H113.50 Ga N4 Si Zn'
_cod_database_code               7135016
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.556
_shelx_estimated_absorpt_t_max   0.819
_shelx_res_checksum              2462