Core@shell bimetallic nanoparticle synthesis via anion coordination.
Serpell, Christopher J.; Cookson, James; Ozkaya, Dogan; Beer, Paul D.; Nature chemistry 3 (2011) 478–483; doi:10.1038/nchem.1030

data_1507938
_publ_section_title
;
 Core@shell bimetallic nanoparticle synthesis via anion coordination.
;
_journal_issue                   6
_journal_name_full               'Nature chemistry'
_journal_page_first              478
_journal_page_last               483
_journal_paper_doi               10.1038/nchem.1030
_journal_volume                  3
_journal_year                    2011
_chemical_formula_moiety         '2(C16 H36 N), Cl6 Pd2'
_chemical_formula_sum            'C32 H72 Cl6 N2 Pd2'
_chemical_formula_weight         910.45
_chemical_melting_point          367
_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
_audit_creation_date             10-07-01
_audit_creation_method           CRYSTALS_ver_14.07
_cell_angle_alpha                91.4858(17)
_cell_angle_beta                 103.352(2)
_cell_angle_gamma                107.870(2)
_cell_formula_units_Z            2
_cell_length_a                   10.9999(5)
_cell_length_b                   11.9542(5)
_cell_length_c                   17.7219(9)
_cell_measurement_reflns_used    7872
_cell_measurement_temperature    150
_cell_measurement_theta_max      27
_cell_measurement_theta_min      5
_cell_volume                     2146.14(17)
_computing_cell_refinement       'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 2001).'
_computing_data_reduction        'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'Superflip (Palatinus & Chapuis, 2007)'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device       Area
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.124
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            31204
_diffrn_reflns_theta_full        25.253
_diffrn_reflns_theta_max         27.449
_diffrn_reflns_theta_min         5.100
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.234
_exptl_absorpt_correction_T_max  0.96
_exptl_absorpt_correction_T_min  0.83
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.409
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             944
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.030
_refine_diff_density_max         2.32
_refine_diff_density_min         -1.56
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   0.9755
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         6371
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1097
_refine_ls_R_factor_gt           0.0509
_refine_ls_shift/su_max          0.0001485
_refine_ls_shift/su_mean         0.0000101
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 Method, part 1, Chebychev polynomial, (Watkin, 1994, Prince, 1982) 
 [weight] = 1.0/[A~0~*T~0~(x)+A~1~*T~1~(x) ... +A~n-1~]*T~n-1~(x)] 
 where A~i~ are the Chebychev coefficients listed below and x= Fcalc/Fmax 
 Method = Robust Weighting (Prince, 1982) 
 W = [weight] * [1-(deltaF/6*sigmaF)^2^]^2^ 
 A~i~ are: 
 7.05 7.74 3.40 0.788 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1170
_refine_ls_wR_factor_gt          0.0821
_refine_ls_wR_factor_ref         0.1169
_reflns_limit_h_max              13
_reflns_limit_h_min              -14
_reflns_limit_k_max              15
_reflns_limit_k_min              -15
_reflns_limit_l_max              22
_reflns_limit_l_min              0
_reflns_number_gt                3888
_reflns_number_total             9394
_reflns_threshold_expression     I>2.0\s(I)
_oxford_diffrn_Wilson_B_factor   2.46
_oxford_diffrn_Wilson_scale      55.78
_oxford_refine_ls_r_factor_ref   0.1096
_oxford_refine_ls_scale          0.14347(6)
_oxford_reflns_number_all        6373
_oxford_reflns_threshold_expression_ref I>-3.0\s(I)
_oxford_structure_analysis_title 032CJS10
_cod_data_source_file            nchem.1030-s3.cif
_cod_data_source_block           TBA2Pd2CL6
_cod_original_cell_volume        2146.14(18)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               1507938