Coinage metal complexes of 2-diphenylphosphino-3-methylindole.
Koshevoy, Igor O.; Shakirova, Julia R.; Melnikov, Alexei S.; Haukka, Matti; Tunik, Sergey P.; Pakkanen, Tapani A.; Dalton transactions (Cambridge, England : 2003) 40 (2011) 7927–7933; doi:10.1039/c1dt10564g

data_7016254
_publ_section_title
;
 Coinage metal complexes of 2-diphenylphosphino-3-methylindole.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7927
_journal_page_last               7933
_journal_paper_doi               10.1039/c1dt10564g
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C84 H68 Ag2 Cu2 N4 P4, 2(C H Cl3)'
_chemical_formula_sum            'C86 H70 Ag2 Cl6 Cu2 N4 P4'
_chemical_formula_weight         1838.86
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.284(2)
_cell_angle_beta                 92.794(2)
_cell_angle_gamma                95.373(2)
_cell_formula_units_Z            2
_cell_length_a                   12.8508(5)
_cell_length_b                   16.2521(6)
_cell_length_c                   18.9675(7)
_cell_measurement_reflns_used    9688
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.15
_cell_measurement_theta_min      2.17
_cell_volume                     3895.1(3)
_computing_cell_refinement       'SAINT (Bruker AXS, 2009)'
_computing_data_collection       'APEX2 (Bruker AXS, 2010)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_molecular_graphics    'Diamond v.3.2e (Brandenburg, 2010)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device
'62mm x 62mm CCD camera on three-circle goniostat'
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_method       '\f scans and \w scans'
_diffrn_radiation_monochromator  'flat graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0639
_diffrn_reflns_av_sigmaI/netI    0.0795
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            61774
_diffrn_reflns_theta_full        27.64
_diffrn_reflns_theta_max         27.64
_diffrn_reflns_theta_min         1.55
_exptl_absorpt_coefficient_mu    1.371
_exptl_absorpt_correction_T_max  0.9150
_exptl_absorpt_correction_T_min  0.7730
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1856
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.600
_refine_diff_density_min         -1.590
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     979
_refine_ls_number_reflns         17947
_refine_ls_number_restraints     58
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0965
_refine_ls_R_factor_gt           0.0510
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0523P)^2^+5.7330P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1058
_refine_ls_wR_factor_ref         0.1231
_reflns_number_gt                11948
_reflns_number_total             17947
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10564g.txt
_cod_data_source_block           6
_cod_database_code               7016254