Cu<sub>4</sub>I<sub>4</sub>-cubane clusters based on 10-(aryl)phenoxarsines and their luminescence.
Galimova, Milyausha F.; Zueva, Ekaterina M.; Dobrynin, Alexey B.; Samigullina, Aida I.; Musin, Rustem R.; Musina, Elvira I.; Karasik, Andrey A.; Dalton transactions (Cambridge, England : 2003) 49 (2020) 482–491; doi:10.1039/c9dt04122b

data_7702950
_publ_section_title
;
 Cu<sub>4</sub>I<sub>4</sub>-cubane clusters based on
 10-(aryl)phenoxarsines and their luminescence.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              482
_journal_page_last               491
_journal_paper_doi               10.1039/c9dt04122b
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C80 H68 As4 Cu4 I4 O8, C2 H3 N'
_chemical_formula_sum            'C82 H71 As4 Cu4 I4 N O8'
_chemical_formula_weight         2259.83
_chemical_name_systematic
;
tetra-(\m^3^-iodo)-tetrakis(10-(p-ethoxyphenyl)phenoxarsine)copper(I)
;
_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
;
2019-10-18 deposited with the CCDC.	2019-12-05 downloaded from the CCDC.
;
_cell_angle_alpha                77.387(2)
_cell_angle_beta                 76.819(2)
_cell_angle_gamma                83.848(2)
_cell_formula_units_Z            2
_cell_length_a                   12.4737(6)
_cell_length_b                   13.1687(6)
_cell_length_c                   25.6324(12)
_cell_measurement_reflns_used    9884
_cell_measurement_temperature    100
_cell_measurement_theta_max      30.51
_cell_measurement_theta_min      2.24
_cell_volume                     3993.3(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.956
_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  0.0942
_diffrn_reflns_av_unetI/netI     0.1137
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            53018
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.774
_diffrn_reflns_theta_min         0.833
_exptl_absorpt_coefficient_mu    4.297
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.879
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2188
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         3.108
_refine_diff_density_min         -4.013
_refine_diff_density_rms         0.476
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     927
_refine_ls_number_reflns         23865
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0928
_refine_ls_R_factor_gt           0.0587
_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^)+(0.0789P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1344
_refine_ls_wR_factor_ref         0.1650
_reflns_Friedel_coverage         0.000
_reflns_number_gt                16013
_reflns_number_total             23865
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt04122b2.cif
_cod_data_source_block           Mus212
_cod_depositor_comments
'Adding full bibliography for 7702948--7702952.cif.'
_cod_database_code               7702950
_shelx_shelxl_version_number     2017/1
_shelx_res_checksum              19563