Aliphatic amine mediated assembly of [M6(mna)6] (M = Cu/Ag) into extended two-dimensional structures: synthesis, structure and Lewis acid catalytic studies
Sarkar, Anupam; Jana, Ajay Kumar; Natarajan, Srinivasan; New Journal of Chemistry 45 (2021) 6503–6511; doi:10.1039/D1NJ00544H

data_7060447
_publ_section_title
;
 Aliphatic amine mediated assembly of [M6(mna)6] (M = Cu/Ag) into extended
 two-dimensional structures: synthesis, structure and Lewis acid catalytic
 studies
;
_journal_issue                   14
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              6503
_journal_page_last               6511
_journal_paper_doi               10.1039/D1NJ00544H
_journal_volume                  45
_journal_year                    2021
_chemical_formula_sum            'C42 H44 Ag6 Cd N12 O22 S6'
_chemical_formula_weight         2020.88
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2021-01-22 deposited with the CCDC.	2021-03-10 downloaded from the CCDC.
;
_cell_angle_alpha                65.730(4)
_cell_angle_beta                 81.992(5)
_cell_angle_gamma                76.182(4)
_cell_formula_units_Z            1
_cell_length_a                   11.8171(11)
_cell_length_b                   12.2377(10)
_cell_length_c                   12.5376(11)
_cell_measurement_reflns_used    5633
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.999
_cell_measurement_theta_min      1.777
_cell_volume                     1603.3(2)
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.957
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'Oxford Xcalibur,Eos(Nova) CCD detector'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0338
_diffrn_reflns_av_unetI/netI     0.0299
_diffrn_reflns_Laue_measured_fraction_full 0.957
_diffrn_reflns_Laue_measured_fraction_max 0.957
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            17411
_diffrn_reflns_point_group_measured_fraction_full 0.957
_diffrn_reflns_point_group_measured_fraction_max 0.957
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.777
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.395
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrysAlis RED (Oxford Diffraction,2009)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.093
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block-shaped
_exptl_crystal_F_000             982
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   0.787
_exptl_transmission_factor_min   0.568
_refine_diff_density_max         0.941
_refine_diff_density_min         -0.936
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.949
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     403
_refine_ls_number_reflns         5633
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.949
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0301
_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^)+(0.0588P)^2^+3.9460P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0871
_refine_ls_wR_factor_ref         0.0969
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4633
_reflns_number_total             5633
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1nj00544h2.cif
_cod_data_source_block           shelx_CCDC2
_cod_depositor_comments
'Adding full bibliography for 7060445--7060447.cif.'
_cod_database_code               7060447
_shelx_shelxl_version_number     2017/1
_shelx_res_checksum              38955
_shelx_hkl_checksum              33688