Tailoring hydrophilic N,N-dialkyl-N'-acylthioureas suitable for Pt(II), Pd(II) and Rh(III) chloride pre-concentration from acid aqueous solutions, and their complex separation by reversed-phase HPLC
Alpheus N. Mautjana; Jörn D. S. Miller; A. Gie; Susan A. Bourne; Klaus R. Koch; Dalton Trans.  (2003) 1952–1960; doi:10.1039/b211885h

data_7012538
_publ_section_title
;
 Tailoring hydrophilic N,N-dialkyl-N'-acylthioureas suitable for
 Pt(II), Pd(II) and Rh(III) chloride pre-concentration from acid
 aqueous solutions, and their complex separation by reversed-phase HPLC
;
_journal_issue                   10
_journal_name_full               'Dalton Trans.'
_journal_page_first              1952
_journal_page_last               1960
_journal_paper_doi               10.1039/b211885h
_journal_year                    2003
_chemical_formula_moiety         'C30 H51 N6 O3 Rh1 S3 . (C H Cl3)'
_chemical_formula_sum            'C31 H52 Cl3 N6 O3 Rh S3'
_chemical_formula_weight         862.23
_chemical_melting_point          '251 - 254 0C'
_chemical_name_common
;fac-tris-(N-(pyrolidine)-N'-(2,2-
dimethylpropanoyl)thioureato))rhodium(iii)
;
_chemical_name_systematic
; 
fac-tris-(N-(pyrolidine)-N'-(2,2-dimethylpropanoyl)thioureato))rhodium(III) 
;
_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                84.77(3)
_cell_angle_beta                 89.81(3)
_cell_angle_gamma                78.88(3)
_cell_formula_units_Z            2
_cell_length_a                   10.697(4)
_cell_length_b                   13.454(6)
_cell_length_c                   14.432(6)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      17
_cell_measurement_theta_min      16
_cell_volume                     2029.3(15)
_computing_cell_refinement       'Nonius CAD4 software'
_computing_data_collection       'Nonius CAD4 software'
_computing_data_reduction        'Nonius CAD4 software'
_computing_molecular_graphics    PLUTO
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Nonius CAD4 diffractometer'
_diffrn_measurement_method       '\w - 2\q'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0391
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7123
_diffrn_reflns_theta_full        24.98
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         1.42
_diffrn_standards_decay_%        20
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.811
_exptl_absorpt_correction_T_max  0.7930
_exptl_absorpt_correction_T_min  0.7375
_exptl_absorpt_correction_type   'empirical via \y scans'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       prism
_exptl_crystal_F_000             896
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.30
_refine_diff_density_max         2.293
_refine_diff_density_min         -2.611
_refine_diff_density_rms         0.170
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         7123
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0954
_refine_ls_R_factor_gt           0.0773
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1844P)^2^+0.3481P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2124
_refine_ls_wR_factor_ref         0.2259
_reflns_number_gt                5673
_reflns_number_total             7123
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b211885h.txt
_cod_data_source_block           1
_cod_database_code               7012538