Stable cyclopropenylvinyl ligands <i>via</i> insertion into a transient cyclopropenyl metal bond.
Watson, Lachlan J.; Hill, Anthony F.; Dalton transactions (Cambridge, England : 2003) 53 (2024) 3629–3637; doi:10.1039/d3dt03997h

data_7715008
_publ_section_title
;
 Stable cyclopropenylvinyl ligands <i>via</i> insertion into a transient
 cyclopropenyl metal bond.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3629
_journal_page_last               3637
_journal_paper_doi               10.1039/d3dt03997h
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C19 H24 Au B Cl2 N6 O2 Se W, C H2 Cl2'
_chemical_formula_sum            'C20 H26 Au B Cl4 N6 O2 Se W'
_chemical_formula_weight         994.85
_space_group_crystal_system      monoclinic
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_space_group_name_H-M_alt        'P 1 21 1'
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_audit_update_record
;
2019-08-27 deposited with the CCDC.	2024-01-11 downloaded from the CCDC.
;
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_cell_volume                     3269.48(14)
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_computing_data_collection       'CrysAlisPro 1.171.40.36a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.36a (Rigaku OD, 2018)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150.0(1)
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_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, EosS2'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0343
_diffrn_reflns_av_unetI/netI     0.0581
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       14
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_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            11885
_diffrn_reflns_point_group_measured_fraction_full 0.997
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_diffrn_reflns_theta_max         66.592
_diffrn_reflns_theta_min         3.744
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    19.228
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.34793
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.36a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_density_diffrn    2.021
_exptl_crystal_description       plate
_exptl_crystal_F_000             1856
_exptl_crystal_size_max          0.227
_exptl_crystal_size_mid          0.126
_exptl_crystal_size_min          0.047
_refine_diff_density_max         3.016
_refine_diff_density_min         -1.778
_refine_diff_density_rms         0.210
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.235(17)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     664
_refine_ls_number_reflns         8266
_refine_ls_number_restraints     669
_refine_ls_restrained_S_all      0.987
_refine_ls_R_factor_all          0.0496
_refine_ls_R_factor_gt           0.0438
_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^)+(0.0790P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1157
_refine_ls_wR_factor_ref         0.1211
_reflns_Friedel_coverage         0.925
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                7353
_reflns_number_total             8266
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3dt03997h2.cif
_cod_data_source_block           Compound_10
_cod_depositor_comments
'Adding full bibliography for 7715005--7715009.cif.'
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7715008
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              46675
_shelx_hkl_checksum              26605
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