Coinage metal coordination chemistry of stable primary, secondary and tertiary ferrocenylethyl-based phosphines.
Azizpoor Fard, M.; Rabiee Kenaree, A.; Boyle, P. D.; Ragogna, P. J.; Gilroy, J. B.; Corrigan, J. F.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 2868–2880; doi:10.1039/c5dt03962b

data_7038096
_publ_section_title
;
 Coinage metal coordination chemistry of stable primary, secondary and
 tertiary ferrocenylethyl-based phosphines.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2868
_journal_page_last               2880
_journal_paper_doi               10.1039/c5dt03962b
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C38 H43 Au Cl Fe3 O0.5 P'
_chemical_formula_weight         938.66
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-10-06 deposited with the CCDC.
2016-01-06 downloaded from the CCDC.
;
_cell_angle_alpha                118.147(9)
_cell_angle_beta                 91.603(7)
_cell_angle_gamma                115.305(8)
_cell_formula_units_Z            4
_cell_length_a                   15.675(4)
_cell_length_b                   16.981(3)
_cell_length_c                   17.021(3)
_cell_measurement_reflns_used    9458
_cell_measurement_temperature    110
_cell_measurement_theta_max      30.53
_cell_measurement_theta_min      2.98
_cell_volume                     3458.4(13)
_computing_cell_refinement       SAINT
_computing_data_collection       Apex2
_computing_data_reduction        SAINT
_computing_molecular_graphics    NRCVAX
_computing_publication_material  cif2tables.py
_computing_structure_refinement  SHELXL-2014
_computing_structure_solution    SHELXT
_diffrn_ambient_temperature      110
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'Bruker Apex2'
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker Kappa Axis Apex2'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0253
_diffrn_reflns_av_unetI/netI     0.0276
_diffrn_reflns_laue_measured_fraction_full 0.968
_diffrn_reflns_laue_measured_fraction_max 0.968
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            32436
_diffrn_reflns_point_group_measured_fraction_full 0.968
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_theta_full        24.249
_diffrn_reflns_theta_max         24.249
_diffrn_reflns_theta_min         1.742
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    5.614
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.4454
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.803
_exptl_crystal_description       block
_exptl_crystal_F_000             1856
_exptl_crystal_size_max          0.467
_exptl_crystal_size_mid          0.146
_exptl_crystal_size_min          0.091
_refine_diff_density_max         4.890
_refine_diff_density_min         -1.670
_refine_diff_density_rms         0.239
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.157
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     802
_refine_ls_number_reflns         10825
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.157
_refine_ls_R_factor_all          0.0503
_refine_ls_R_factor_gt           0.0454
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0674P)^2^+23.9668P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1170
_refine_ls_wR_factor_ref         0.1244
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9927
_reflns_number_total             10825
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt03962b2.cif
_cod_data_source_block           b15236
_cod_depositor_comments
'Adding full bibliography for 7038091--7038098.cif.'
_cod_original_formula_sum        'C38 H43 Au Cl Fe3 O0.50 P'
_cod_database_code               7038096
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.179
_shelx_estimated_absorpt_t_max   0.629
_shelx_res_checksum              7586