A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.
Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper; Chemical science 15 (2024) 18067–18075; doi:10.1039/d4sc04843a

data_1572717
_publ_section_title
;
 A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate
 ligands.
;
_journal_issue                   43
_journal_name_full               'Chemical science'
_journal_page_first              18067
_journal_page_last               18075
_journal_paper_doi               10.1039/d4sc04843a
_journal_volume                  15
_journal_year                    2024
_chemical_formula_moiety         '0.25(C32 H48 Ag4 Cs4 N8 O24), 2(H2 O)'
_chemical_formula_sum            'C8 H16 Ag Cs N2 O8'
_chemical_formula_weight         509.01
_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   mixed
_audit_creation_date             2018-07-06
_audit_creation_method
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_audit_update_record
;
2024-07-21 deposited with the CCDC.	2024-09-17 downloaded from the CCDC.
;
_cell_angle_alpha                68.125(2)
_cell_angle_beta                 73.051(2)
_cell_angle_gamma                76.873(2)
_cell_formula_units_Z            4
_cell_length_a                   9.7035(6)
_cell_length_b                   13.0999(8)
_cell_length_c                   13.5608(9)
_cell_measurement_reflns_used    9570
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      29.538
_cell_measurement_theta_min      2.446
_cell_volume                     1516.49(17)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0416
_diffrn_reflns_av_unetI/netI     0.0280
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            51926
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         29.575
_diffrn_reflns_theta_min         2.446
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.730
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.6596
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0714 before and 0.0555 after correction.
The Ratio of minimum to maximum transmission is 0.8843.
The \l/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.229
_exptl_crystal_description       plate
_exptl_crystal_F_000             976
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: water'
_exptl_crystal_size_max          0.226
_exptl_crystal_size_mid          0.098
_exptl_crystal_size_min          0.038
_refine_diff_density_max         0.706
_refine_diff_density_min         -0.880
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     412
_refine_ls_number_reflns         8488
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0346
_refine_ls_R_factor_gt           0.0218
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0186P)^2^+0.7325P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0419
_refine_ls_wR_factor_ref         0.0451
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7001
_reflns_number_total             8488
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4sc04843a2.cif
_cod_data_source_block           mo_d8v3473_0m-1
_cod_depositor_comments
'Adding full bibliography for 1572714--1572719.cif.'
_cod_database_code               1572717
_shelxl_version_number           2013-3
_shelx_estimated_absorpt_t_max   0.871
_shelx_estimated_absorpt_t_min   0.486
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, All O(H,H,H,H,H,H,H,H,H,H,H,H,H,H,H,H) groups
2. Restrained distances
 H12A_$1-H15C
 2.2 with sigma of 0.01
3.a Secondary CH2 refined with riding coordinates:
 C11(H11A,H11B), C7(H7A,H7B), C10(H10A,H10B), C2(H2A,H2B), C3(H3A,H3B), C6(H6A,
 H6B), C14(H14A,H14B), C15(H15A,H15B)
;
_shelx_res_checksum              20316
_shelx_hkl_checksum              69770
_olex2_submission_special_instructions 'No special instructions were received'