Kinetico-mechanistic insights into the photodynamic process of Au<sup>I</sup> complexes with the CNC<sub>6</sub>H<sub>4</sub>NNC<sub>6</sub>H<sub>5</sub> (iso-Ph) azobenzene ligand.
Raïch Panisello, Ot; Jover, Jesús; Puigjaner, Cristina; Ferrer, Montserrat; Martínez, Manuel; Dalton transactions (Cambridge, England : 2003) 54 (2025) 15134–15143; doi:10.1039/d5dt01292a

data_1575683
_publ_section_title
;
 Kinetico-mechanistic insights into the photodynamic process of
 Au<sup>I</sup> complexes with the
 CNC<sub>6</sub>H<sub>4</sub>NNC<sub>6</sub>H<sub>5</sub> (iso-Ph)
 azobenzene ligand.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15134
_journal_page_last               15143
_journal_paper_doi               10.1039/d5dt01292a
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C13 H9 Au Cl N3'
_chemical_formula_sum            'C13 H9 Au Cl N3'
_chemical_formula_weight         439.65
_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-2019/1
_audit_update_record
;
2025-09-01 deposited with the CCDC.	2025-09-10 downloaded from the CCDC.
;
_cell_angle_alpha                93.9590(10)
_cell_angle_beta                 93.1710(10)
_cell_angle_gamma                90.1010(10)
_cell_formula_units_Z            2
_cell_length_a                   3.73620(10)
_cell_length_b                   5.8097(2)
_cell_length_c                   28.4932(10)
_cell_measurement_reflns_used    9899
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.67
_cell_measurement_theta_min      2.87
_cell_volume                     616.05(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX4'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0575
_diffrn_reflns_av_unetI/netI     0.0370
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            22201
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.726
_diffrn_reflns_theta_min         2.153
_diffrn_source                   microfocus
_exptl_absorpt_coefficient_mu    12.139
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.5327
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.370
_exptl_crystal_description       prism
_exptl_crystal_F_000             408
_exptl_crystal_size_max          0.471
_exptl_crystal_size_mid          0.122
_exptl_crystal_size_min          0.082
_refine_diff_density_max         1.764
_refine_diff_density_min         -2.235
_refine_diff_density_rms         0.238
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         3814
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0328
_refine_ls_R_factor_gt           0.0291
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0550P)^2^+0.0917P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0820
_refine_ls_wR_factor_ref         0.0852
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3464
_reflns_number_total             3814
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt01292a2.cif
_cod_data_source_block           mo_IAPACB139A_0ma_a
_cod_depositor_comments
'Adding full bibliography for 1575683--1575684.cif.'
_cod_database_code               1575683
_shelx_shelxl_version_number     2019/1
_shelx_res_checksum              80861
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