Irreversible and reversible formation of a [2]rotaxane containing platinum(II) complex with an N-alkyl bipyridinium ligand as the axis component.
Suzaki, Yuji; Taira, Toshiaki; Osakada, Kohtaro; Dalton transactions (Cambridge, England : 2003)  (2006) 5345–5351; doi:10.1039/b610087b

data_7007780
_publ_section_title
;
 Irreversible and reversible formation of a [2]rotaxane containing
 platinum(II) complex with an N-alkyl bipyridinium ligand as the axis
 component.
;
_journal_issue                   45
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5345
_journal_page_last               5351
_journal_paper_doi               10.1039/b610087b
_journal_year                    2006
_chemical_formula_moiety         'C18 H29 Cl5 N2 O2 Pt2 S2 '
_chemical_formula_sum            'C18 H29 Cl5 N2 O2 Pt2 S2'
_chemical_formula_weight         937.00
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 96.80(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   13.771(3)
_cell_length_b                   21.187(12)
_cell_length_c                   9.604(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298.1
_cell_measurement_theta_max      16.9
_cell_measurement_theta_min      15.1
_cell_volume                     2782.4(18)
_computing_cell_refinement       WinAFC
_computing_data_collection       WinAFC
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.051
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6795
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    10.652
_exptl_absorpt_correction_T_max  0.202
_exptl_absorpt_correction_T_min  0.090
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.237
_exptl_crystal_density_meas      2.000
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1760.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         3.97
_refine_diff_density_min         -4.04
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.934
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     309
_refine_ls_number_reflns         4383
_refine_ls_R_factor_gt           0.0538
_refine_ls_shift/su_max          0.0013
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0041Fo^2^ + 1.0000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0719
_reflns_number_gt                4376
_reflns_number_total             6382
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b610087b.txt
_cod_data_source_block           '[trans-2b][PtCl3(dmso)]'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'psi-scans' was replaced
with 'psi-scan' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C18 H29 Cl5 N2 O2 Pt2 S2 '
_cod_database_code               7007780