Auriferous alkynylselenolatoalkylidynes.
Frogley, Benjamin J.; Hill, Anthony F.; Onn, Chee S.; Dalton transactions (Cambridge, England : 2003) 48 (2019) 11715–11723; doi:10.1039/c9dt02314c

data_7700444
_publ_section_title
;
 Auriferous alkynylselenolatoalkylidynes.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11715
_journal_page_last               11723
_journal_paper_doi               10.1039/c9dt02314c
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety
'C40 H46 Au2 B2 Cl2 N12 O4 Se2 W2, 3(C H Cl3)'
_chemical_formula_sum            'C43 H49 Au2 B2 Cl11 N12 O4 Se2 W2'
_chemical_formula_weight         2129.06
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-04-23 deposited with the CCDC.    2019-07-04 downloaded from the CCDC.
;
_cell_angle_alpha                100.607(4)
_cell_angle_beta                 110.753(4)
_cell_angle_gamma                92.489(4)
_cell_formula_units_Z            1
_cell_length_a                   10.4581(5)
_cell_length_b                   12.6675(6)
_cell_length_c                   12.9896(6)
_cell_measurement_reflns_used    5780
_cell_measurement_temperature    150.0(1)
_cell_measurement_theta_max      29.5030
_cell_measurement_theta_min      4.0030
_cell_volume                     1570.60(14)
_computing_cell_refinement
;
'Fri Mar 15 09:49:37 2019'
;
_computing_data_collection
;
'Fri Mar 15 09:49:37 2019'
;
_computing_data_reduction
;
'Fri Mar 15 09:49:37 2019'
;
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150.0(1)
_diffrn_detector_area_resol_mean 10.3744
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'New Xcalibur, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_unetI/netI     0.0496
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12930
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.369
_diffrn_reflns_theta_min         3.270
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    9.982
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.71132
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
'Fri Mar 15 09:49:37 2019'
;
_exptl_crystal_colour            'clear intense orange'
_exptl_crystal_density_diffrn    2.251
_exptl_crystal_description       plate
_exptl_crystal_F_000             994
_exptl_crystal_size_max          0.1639
_exptl_crystal_size_mid          0.1119
_exptl_crystal_size_min          0.0744
_refine_diff_density_max         1.367
_refine_diff_density_min         -1.566
_refine_diff_density_rms         0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         6403
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0395
_refine_ls_R_factor_gt           0.0291
_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^)+(0.0232P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0586
_refine_ls_wR_factor_ref         0.0633
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5423
_reflns_number_total             6403
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt02314c2.cif
_cod_data_source_block           Compound_5
_cod_depositor_comments
'Adding full bibliography for 7700440--7700447.cif.'
_cod_database_code               7700444
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              37516