On the importance of RH3C⋯N tetrel bonding interactions in the solid state of a dinuclear zinc complex with a tetradentate Schiff base ligand
Mondal, Ipsita; Frontera, Antonio; Chattopadhyay, Shouvik; CrystEngComm 23 (2021) 3391–3397; doi:10.1039/D0CE01864C

data_7242494
_publ_section_title
;
 On the importance of RH3C&#x22EF;N tetrel bonding interactions in the
 solid state of a dinuclear zinc complex with a tetradentate Schiff base
 ligand
;
_journal_issue                   18
_journal_name_full               CrystEngComm
_journal_page_first              3391
_journal_page_last               3397
_journal_paper_doi               10.1039/D0CE01864C
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety         'C18 H31 N11 O5 S2 Zn2'
_chemical_formula_sum            'C18 H31 N11 O5 S2 Zn2'
_chemical_formula_weight         676.44
_space_group_crystal_system      triclinic
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_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-12-20 deposited with the CCDC.	2021-03-22 downloaded from the CCDC.
;
_cell_angle_alpha                80.589(3)
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_cell_volume                     1423.1(2)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'BRUKER SMART APEX II'
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_diffrn_reflns_av_unetI/netI     0.0226
_diffrn_reflns_Laue_measured_fraction_full 0.996
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_diffrn_reflns_limit_h_max       10
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_diffrn_reflns_limit_l_max       21
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_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.131
_diffrn_reflns_theta_max         25.131
_diffrn_reflns_theta_min         2.357
_exptl_absorpt_coefficient_mu    1.882
_exptl_absorpt_correction_T_max  0.686
_exptl_absorpt_correction_T_min  0.574
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.579
_exptl_crystal_description       block
_exptl_crystal_F_000             696
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_exptl_crystal_size_mid          0.3
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_refine_diff_density_max         0.373
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_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     365
_refine_ls_number_reflns         5045
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0322
_refine_ls_R_factor_gt           0.0280
_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^)+(0.0343P)^2^+0.9589P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0718
_refine_ls_wR_factor_ref         0.0751
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4579
_reflns_number_total             5066
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ce01864c2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7242494.cif.'
_cod_database_code               7242494
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              78458
_shelx_hkl_checksum              98211