Coinage metal complexes with bridging hybrid phosphine-NHC ligands: synthesis of di- and tetra-nuclear complexes.
Simler, Thomas; Braunstein, Pierre; Danopoulos, Andreas A.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 5122–5139; doi:10.1039/c6dt00275g

data_7038388
_publ_section_title
;
 Coinage metal complexes with bridging hybrid phosphine-NHC ligands:
 synthesis of di- and tetra-nuclear complexes.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5122
_journal_page_last               5139
_journal_paper_doi               10.1039/c6dt00275g
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C44 H70 Ag2 N4 P2, 2(B F4), C H2 Cl2'
_chemical_formula_sum            'C45 H72 Ag2 B2 Cl2 F8 N4 P2'
_chemical_formula_weight         1191.26
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-01-06 deposited with the CCDC.
2016-02-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 120.1030(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   22.5544(5)
_cell_length_b                   15.0639(3)
_cell_length_c                   39.3803(7)
_cell_measurement_reflns_used    402083
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      0.998
_cell_volume                     11575.2(4)
_computing_cell_refinement       'Denzo (Otwinowski & Minor, 1997)'
_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material
'SHELXL-2013 (Sheldrick,2013)and PLATON (Spek,2009)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1001
_diffrn_reflns_av_unetI/netI     0.1153
_diffrn_reflns_Laue_measured_fraction_full 0.974
_diffrn_reflns_Laue_measured_fraction_max 0.967
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_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       51
_diffrn_reflns_limit_l_min       -51
_diffrn_reflns_number            94328
_diffrn_reflns_point_group_measured_fraction_full 0.974
_diffrn_reflns_point_group_measured_fraction_max 0.967
_diffrn_reflns_theta_full        25.242
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_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    0.882
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_exptl_absorpt_correction_T_min  0.76335
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'MULscanABS in PLATON (Spek, 2007)'
_exptl_crystal_colour            colorless
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_exptl_crystal_description       block
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_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
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_platon_squeeze_details
;
The residual electron density was assigned to one and a half molecules of the dichloromethane solvent [259/4= 65 e per asymmetric unit; one and a half molecules of C1H2Cl2 would give 63 e]. 
;
_refine_diff_density_max         1.341
_refine_diff_density_min         -1.191
_refine_diff_density_rms         0.214
_refine_ls_extinction_method     none
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_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.1625
_refine_ls_R_factor_gt           0.0793
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1221P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2031
_refine_ls_wR_factor_ref         0.2371
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12355
_reflns_number_total             25690
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt00275g2.cif
_cod_data_source_block           pbts150204
_cod_depositor_comments
'Adding full bibliography for 7038380--7038388.cif.'
_cod_original_cell_volume        11575.1(4)
_cod_database_code               7038388
_shelxl_version_number           2013-4
_shelx_res_checksum              33675