[Au<sub>8</sub>(TePh)<sub>4</sub>dppm<sub>2</sub>(Ph<sub>2</sub>PCHPPh<sub>2</sub>)<sub>2</sub>]Cl<sub>2</sub>: a water and air stable red-luminescent gold-tellurolate cluster with an excellent quantum yield.
Ott, Adrian; Leis, Wolfgang; Seitz, Michael; Schnepf, Andreas; Dalton transactions (Cambridge, England : 2003) 55 (2026) 2438–2442; doi:10.1039/d5dt02489g

data_7720042
_publ_section_title
;
 [Au<sub>8</sub>(TePh)<sub>4</sub>dppm<sub>2</sub>(Ph<sub>2</sub>PCHPPh<sub>2</sub>)<sub>2</sub>]Cl<sub>2</sub>:
 a water and air stable red-luminescent gold-tellurolate cluster with an
 excellent quantum yield.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2438
_journal_page_last               2442
_journal_paper_doi               10.1039/d5dt02489g
_journal_volume                  55
_journal_year                    2026
_chemical_formula_moiety         'C124 H106 Au8 P8 Te4, 2(Cl), 8(C H Cl3)'
_chemical_formula_sum            'C132 H114 Au8 Cl26 P8 Te4'
_chemical_formula_weight         4955.82
_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
_atom_sites_solution_primary     dual
_audit_creation_date             2024-09-30
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_audit_update_record
;
2025-08-28 deposited with the CCDC.	2025-12-19 downloaded from the CCDC.
;
_cell_angle_alpha                113.5700(10)
_cell_angle_beta                 105.3850(10)
_cell_angle_gamma                90.9070(10)
_cell_formula_units_Z            1
_cell_length_a                   13.6754(5)
_cell_length_b                   16.6156(6)
_cell_length_c                   18.9107(7)
_cell_measurement_reflns_used    9979
_cell_measurement_temperature    99.95
_cell_measurement_theta_max      28.256
_cell_measurement_theta_min      2.255
_cell_volume                     3761.0(2)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      99.95
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0275
_diffrn_reflns_av_unetI/netI     0.0173
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            115499
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.282
_diffrn_reflns_theta_min         1.917
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           0.59
_diffrn_source_power             0.0295
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    9.123
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5263
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0999 before and 0.0404 after correction.
The Ratio of minimum to maximum transmission is 0.7058.
The \l/2 correction factor is Not present.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.188
_exptl_crystal_description       plate
_exptl_crystal_F_000             2308
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.183
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.037
_refine_diff_density_max         1.589
_refine_diff_density_min         -1.323
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     802
_refine_ls_number_reflns         18634
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0279
_refine_ls_R_factor_gt           0.0225
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0190P)^2^+13.8418P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0505
_refine_ls_wR_factor_ref         0.0533
_reflns_Friedel_coverage         0.000
_reflns_number_gt                16775
_reflns_number_total             18634
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt02489g2.cif
_cod_data_source_block           9
_cod_database_code               7720042
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_max   0.729
_shelx_estimated_absorpt_t_min   0.286
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C213(H213), C1(H1), C2(H2), C3(H3), C4(H4)
2.b Secondary CH2 refined with riding coordinates:
 C113(H11A,H11B)
2.c Aromatic/amide H refined with riding coordinates:
 C102(H102), C103(H103), C104(H104), C105(H105), C106(H106), C108(H108),
 C109(H109), C110(H110), C111(H111), C112(H112), C115(H115), C116(H116),
 C117(H117), C118(H118), C119(H119), C121(H121), C122(H122), C123(H123),
 C124(H124), C125(H125), C202(H202), C203(H203), C204(H204), C205(H205),
 C206(H206), C208(H208), C209(H209), C210(H210), C211(H211), C212(H212),
 C215(H215), C216(H216), C217(H217), C218(H218), C219(H219), C221(H221),
 C222(H222), C223(H223), C224(H224), C225(H225), C502(H502), C503(H503),
 C504(H504), C505(H505), C506(H506), C602(H602), C603(H603), C604(H604),
 C605(H605), C606(H606)
;
_shelx_res_checksum              37664
_olex2_submission_special_instructions 'No special instructions were received'