Supramolecular Polymer and Sheet and a Double Cubane Structure in Platinum(IV) Iodide Chemistry: Solution of a Longstanding Puzzle.
Fard, Mahmood A.; Behnia, Ava; Puddephatt, Richard J.; ACS omega 3 (2018) 10267–10272; doi:10.1021/acsomega.8b01367

data_4515936
_publ_section_title
;
 Supramolecular Polymer and Sheet and a Double Cubane Structure in
 Platinum(IV) Iodide Chemistry: Solution of a Longstanding Puzzle.
;
_journal_issue                   8
_journal_name_full               'ACS omega'
_journal_page_first              10267
_journal_page_last               10272
_journal_paper_doi               10.1021/acsomega.8b01367
_journal_volume                  3
_journal_year                    2018
_chemical_formula_sum            'C17 H24 I2 N2 O2 Pt'
_chemical_formula_weight         737.27
_space_group_crystal_system      monoclinic
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_space_group_name_H-M_alt        'P 1 21/c 1'
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2016/6
_cell_angle_alpha                90
_cell_angle_beta                 94.272(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.333(4)
_cell_length_b                   13.086(4)
_cell_length_c                   14.249(4)
_cell_measurement_reflns_used    9860
_cell_measurement_temperature    110
_cell_measurement_theta_max      32.41
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_computing_cell_refinement       SAINT
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_computing_molecular_graphics    NRCVAX
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_diffrn_measured_fraction_theta_max 0.999
_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
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_diffrn_reflns_av_R_equivalents  0.0330
_diffrn_reflns_av_unetI/netI     0.0191
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
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_diffrn_reflns_limit_l_min       -14
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_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.496
_diffrn_reflns_theta_max         24.496
_diffrn_reflns_theta_min         2.848
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    9.599
_exptl_absorpt_correction_T_max  0.7464
_exptl_absorpt_correction_T_min  0.4435
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.324
_exptl_crystal_description       block
_exptl_crystal_F_000             1360
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_exptl_crystal_size_mid          0.245
_exptl_crystal_size_min          0.083
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_refine_diff_density_rms         0.161
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     222
_refine_ls_number_reflns         3511
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.192
_refine_ls_R_factor_all          0.0285
_refine_ls_R_factor_gt           0.0278
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0415P)^2^+11.4967P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0805
_refine_ls_wR_factor_ref         0.0809
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3410
_reflns_number_total             3511
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ao8b01367_si_002.cif
_cod_data_source_block           complex_7
_cod_original_cell_volume        2107.4(11)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4515936
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.101
_shelx_estimated_absorpt_t_max   0.503
_shelx_res_checksum              39377
_shelx_hkl_checksum              71079