Coordination chemistry of the bench-stable tris-2-pyridyl pnictogen ligands [E(6-Me-2-py)<sub>3</sub>] (E = As, As[double bond, length as m-dash]O, Sb).
Plajer, Alex J.; Crusius, Daniel; Jethwa, Rajesh B.; García-Romero, Álvaro; Bond, Andrew D.; García-Rodríguez, Raúl; Wright, Dominic S.; Dalton transactions (Cambridge, England : 2003) 50 (2021) 2393–2402; doi:10.1039/d0dt03732j

data_7705776
_publ_section_title
;
 Coordination chemistry of the bench-stable tris-2-pyridyl pnictogen
 ligands [E(6-Me-2-py)<sub>3</sub>] (E = As, As[double bond, length as
 m-dash]O, Sb).
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2393
_journal_page_last               2402
_journal_paper_doi               10.1039/d0dt03732j
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety
'(C72 H72 Ag4 As4 N12 4+), 4(C2 F3 O2 -), 4(C H3 N)'
_chemical_formula_sum            'C88 H84 Ag4 As4 F12 N16 O8'
_chemical_formula_weight         2452.87
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2020-11-18 deposited with the CCDC.	2020-11-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.593(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.6574(8)
_cell_length_b                   16.1326(6)
_cell_length_c                   23.9153(9)
_cell_measurement_reflns_used    9532
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      54.31
_cell_measurement_theta_min      2.74
_cell_volume                     9098.1(6)
_computing_cell_refinement       'SAINT (Bruker, 2016)'
_computing_data_collection       'APEX3 (Bruker, 2016)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  SHELXL
_computing_structure_refinement  'SHELXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker D8-QUEST PHOTON-100'
_diffrn_measurement_method       '\w and \f-scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1000
_diffrn_reflns_av_unetI/netI     0.0782
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            59701
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        54.505
_diffrn_reflns_theta_max         54.505
_diffrn_reflns_theta_min         2.528
_diffrn_source                   'Incoatec I\mS Cu microsource'
_exptl_absorpt_coefficient_mu    9.193
_exptl_absorpt_correction_T_max  0.7507
_exptl_absorpt_correction_T_min  0.4831
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.791
_exptl_crystal_description       block
_exptl_crystal_F_000             4864
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.364
_refine_diff_density_min         -0.657
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     852
_refine_ls_number_reflns         11129
_refine_ls_number_restraints     471
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.1320
_refine_ls_R_factor_gt           0.0801
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0613P)^2^+122.2747P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1766
_refine_ls_wR_factor_ref         0.2046
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7033
_reflns_number_total             11129
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt03732j2.cif
_cod_data_source_block           3_sq
_cod_depositor_comments
'Adding full bibliography for 7705770--7705782.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7705776
_cambridge_user_name             'Alex Plajer'
_cambridge_user_crsid            ajp233
_cambridge_supervisor_name       'Dominic Wright'
_cambridge_supervisor_crsid      dsw1000
_cambridge_crystallographer_name 'Andrew Bond'
_cambridge_crystallographer_crsid adb29
_cambridge_sample_id             DC-AgO2CCF3-As(III)
_cambridge_data_id               DW_B1_0286
_shelx_estimated_absorpt_t_min   0.261
_shelx_estimated_absorpt_t_max   0.460
_shelx_res_checksum              3399
_shelx_fab_checksum              59529