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_7131507
_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         'C59 H76 Cu F3 N10 O3 P2 S, 2(C4 H8 O)'
_chemical_formula_sum            'C67 H92 Cu F3 N10 O5 P2 S'
_chemical_formula_weight         1332.04
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 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.
;
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_cell_measurement_theta_max      26.02
_cell_measurement_theta_min      2.29
_cell_volume                     6620.2(6)
_computing_cell_refinement       'Bruker Apex V7.51A'
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_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0965
_diffrn_reflns_av_unetI/netI     0.0552
_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
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_diffrn_reflns_number            229236
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_diffrn_reflns_theta_max         29.998
_diffrn_reflns_theta_min         1.966
_diffrn_source                   'microfocus sealed tube'
_exptl_absorpt_coefficient_mu    0.476
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.6642
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS-2016/2; Sheldrick, 2015)'
_exptl_crystal_colour            orange
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_exptl_crystal_description       block
_exptl_crystal_F_000             2824
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_restraints     353
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0802
_refine_ls_R_factor_gt           0.0495
_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^)+(0.0492P)^2^+7.0316P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1123
_refine_ls_wR_factor_ref         0.1313
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13818
_reflns_number_total             19305
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3cc01174g10.cif
_cod_data_source_block           is_lo21b
_cod_depositor_comments
'Adding full bibliography for 7131503--7131510.cif.'
_cod_original_cell_volume        6620.1(6)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7131507
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.886
_shelx_estimated_absorpt_t_max   0.972
_shelx_res_checksum              38731
_shelx_hkl_checksum              13138