Functionalization of P4 in the coordination sphere of coinage metal cations.
Borger, Jaap E.; Bakker, Martijn S.; Ehlers, Andreas W.; Lutz, Martin; Chris Slootweg, J.; Lammertsma, Koop; Chemical communications (Cambridge, England) 52 (2016) 3284–3287; doi:10.1039/c5cc10037b

data_7118267
_publ_section_title
;
 Functionalization of P4 in the coordination sphere of coinage metal
 cations.
;
_journal_issue                   16
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3284
_journal_page_last               3287
_journal_paper_doi               10.1039/c5cc10037b
_journal_volume                  52
_journal_year                    2016
_chemical_formula_moiety
'C27 H36 Au N2 P4, C16 Al F36 O4, 0.5(C H2 Cl2)'
_chemical_formula_sum            'C43.5 H37 Al Au Cl F36 N2 O4 P4'
_chemical_formula_weight         1719.03
_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'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-12-03 deposited with the CCDC.
2016-01-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.909(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.7137(3)
_cell_length_b                   38.3822(15)
_cell_length_c                   14.7478(4)
_cell_measurement_reflns_used    55246
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.56
_cell_measurement_theta_min      1.59
_cell_volume                     6063.8(3)
_computing_cell_refinement       Peakref
_computing_data_collection       Apex2
_computing_data_reduction        'Eval15, TWINABS-2012/1'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    SHELXT
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Bruker Kappa ApexII'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0421
_diffrn_reflns_av_unetI/netI     0.0288
_diffrn_reflns_laue_measured_fraction_full 0.999
_diffrn_reflns_laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       49
_diffrn_reflns_limit_k_min       -49
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            134937
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.809
_diffrn_reflns_theta_min         1.742
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    2.744
_exptl_absorpt_correction_T_max  0.4305
_exptl_absorpt_correction_T_min  0.2642
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   TWINABS-2012/1
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.883
_exptl_crystal_description       plate
_exptl_crystal_F_000             3348
_exptl_crystal_size_max          0.64
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.933
_refine_diff_density_min         -1.183
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.184
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1049
_refine_ls_number_reflns         14091
_refine_ls_number_restraints     4893
_refine_ls_restrained_S_all      1.404
_refine_ls_R_factor_all          0.0540
_refine_ls_R_factor_gt           0.0485
_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^)+(0.0315P)^2^+33.1871P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1210
_refine_ls_wR_factor_ref         0.1230
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12651
_reflns_number_total             14091
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5cc10037b2.cif
_cod_data_source_block           l0751a
_cod_depositor_comments
'Adding full bibliography for 7118267--7118268.cif.'
_cod_original_formula_sum        'C43.50 H37 Al Au Cl F36 N2 O4 P4'
_cod_database_code               7118267
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              9814