Coinage metal complexes of multidentate Pacman phosphane ligands.
Ohms, Leon; Eickhoff, Liesa; Kramer, Pascal; Villinger, Alexander; Bresien, Jonas; Schulz, Axel; Chemical communications (Cambridge, England) 59 (2023) 5245–5248; doi:10.1039/d3cc01174g

data_7131505
_publ_section_title
;
 Coinage metal complexes of multidentate Pacman phosphane ligands.
;
_journal_issue                   35
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              5245
_journal_page_last               5248
_journal_paper_doi               10.1039/d3cc01174g
_journal_volume                  59
_journal_year                    2023
_chemical_formula_moiety         'C58 H76 N10 P2, 2(C H2 Cl2)'
_chemical_formula_sum            'C60 H80 Cl4 N10 P2'
_chemical_formula_weight         1145.08
_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-2014/7
_audit_update_record
;
2022-12-14 deposited with the CCDC.	2023-04-03 downloaded from the CCDC.
;
_cell_angle_alpha                75.746(19)
_cell_angle_beta                 84.619(19)
_cell_angle_gamma                66.815(12)
_cell_formula_units_Z            2
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_cell_length_b                   14.462(6)
_cell_length_c                   19.647(9)
_cell_measurement_reflns_used    9948
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      2.35
_cell_volume                     3039(2)
_computing_cell_refinement       'Bruker Apex V7.51A'
_computing_data_collection       'Bruker Apex V7.51A'
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_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 QUEST diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0491
_diffrn_reflns_av_unetI/netI     0.0925
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       15
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_diffrn_reflns_limit_k_max       19
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_diffrn_reflns_limit_l_max       25
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_diffrn_reflns_number            23243
_diffrn_reflns_point_group_measured_fraction_full 0.996
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_diffrn_reflns_theta_max         27.998
_diffrn_reflns_theta_min         1.688
_diffrn_source                   'microfocus sealed tube'
_exptl_absorpt_coefficient_mu    0.294
_exptl_absorpt_correction_T_max  0.745980
_exptl_absorpt_correction_T_min  0.612639
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(TWINABS; Sheldrick, 2014)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.251
_exptl_crystal_description       block
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.320
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_exptl_crystal_size_min          0.050
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_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     817
_refine_ls_number_reflns         23243
_refine_ls_number_restraints     210
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.1304
_refine_ls_R_factor_gt           0.0688
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0648P)^2^+2.2585P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1427
_refine_ls_wR_factor_ref         0.1714
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14852
_reflns_number_total             23243
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3cc01174g10.cif
_cod_data_source_block           is_pk009
_cod_depositor_comments
'Adding full bibliography for 7131503--7131510.cif.'
_cod_database_code               7131505
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.912
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_shelx_res_checksum              24913
_shelx_hkl_checksum              88699