Radical-Induced Hierarchical Self-Assembly Involving Supramolecular Coordination Complexes in Both Solution and Solid States.
Huo, Gui-Fei; Shi, Xueliang; Tu, Qian; Hu, Yi-Xiong; Wu, Gui-Yuan; Yin, Guang-Qiang; Li, Xiaopeng; Xu, Lin; Ding, Hong-Ming; Yang, Hai-Bo; Journal of the American Chemical Society 141 (2019) 16014–16023; doi:10.1021/jacs.9b08149

data_4128345
_publ_section_title
;
 Radical-Induced Hierarchical Self-Assembly Involving Supramolecular
 Coordination Complexes in Both Solution and Solid States.
;
_journal_issue                   40
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16014
_journal_page_last               16023
_journal_paper_doi               10.1021/jacs.9b08149
_journal_volume                  141
_journal_year                    2019
_chemical_formula_sum            'C39 H48 F6 N2 O P3 Pt'
_chemical_formula_weight         962.79
_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
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                96.588(3)
_cell_angle_beta                 100.265(3)
_cell_angle_gamma                96.237(3)
_cell_formula_units_Z            4
_cell_length_a                   10.6217(8)
_cell_length_b                   19.9663(16)
_cell_length_c                   24.0398(18)
_cell_measurement_reflns_used    9767
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      72.56
_cell_measurement_theta_min      3.13
_cell_volume                     4939.9(7)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'BRUKER D8 VENTURE PHOTON II'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0722
_diffrn_reflns_av_unetI/netI     0.0444
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            122781
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.716
_diffrn_reflns_theta_min         1.885
_exptl_absorpt_coefficient_mu    6.657
_exptl_absorpt_correction_T_max  0.2264
_exptl_absorpt_correction_T_min  0.0965
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.295
_exptl_crystal_description       block
_exptl_crystal_F_000             1924
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         5.013
_refine_diff_density_min         -1.137
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     949
_refine_ls_number_reflns         19529
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0696
_refine_ls_R_factor_gt           0.0616
_refine_ls_shift/su_max          0.028
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1197P)^2^+4.2915P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1752
_refine_ls_wR_factor_ref         0.1863
_reflns_Friedel_coverage         0.000
_reflns_number_gt                16176
_reflns_number_total             19529
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja9b08149_si_003.cif
_cod_data_source_block           190412hgf_2_0m_sq
_cod_database_code               4128345
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.349
_shelx_estimated_absorpt_t_max   0.556
_shelx_res_checksum              25534
_shelx_hkl_checksum              49113
_shelx_fab_checksum              45215