A one-dimensional iodine-bridged Pt^II^/Pt^IV^ mixed-valence complex, <i>catena</i>-poly[[[bis(ethylenediamine)platinum(II)]-μ-iodo-[bis(ethylenediamine)platinum(IV)]-μ-iodo] hydrogenphosphate dihydrogenphosphate iodide trihydrate]
Matsushita, Nobuyuki; Acta Crystallographica Section C 62 (2006) m33–m36; doi:10.1107/S0108270105041247

data_2014375
_publ_section_title
;A one-dimensional iodine-bridged Pt^II^/Pt^IV^ mixed-valence complex,
 <i>catena</i>-poly[[[bis(ethylenediamine)platinum(II)]-\m-iodo-[bis(ethylenediamine)platinum(IV)]-\m-iodo]
 hydrogenphosphate dihydrogenphosphate iodide trihydrate]
;
_journal_coeditor_code           OB1246
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m33
_journal_page_last               m36
_journal_paper_doi               10.1107/S0108270105041247
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac
'[Pt2 I2 (C2 H8 N2)4] (H P O4) (H2 P O4) I, 3H2 O'
_chemical_formula_moiety
'C8 H32 I2 N8 Pt2 4+, H O4 P 2-, H2 O4 P -, I -, 3H2 O'
_chemical_formula_sum            'C8 H41 I3 N8 O11 P2 Pt2'
_chemical_formula_weight         1258.29
_chemical_name_systematic
;
catena-poly[[[bis(ethylenediamine)platinum(II)]-\m-iodo-
[bis(ethylenediamine)platinum(IV)]-\m-iodo] hydrogenphosphate
dihydrogenphosphate iodide trihydrate]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.840(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.8080(10)
_cell_length_b                   16.478(2)
_cell_length_c                   11.7580(10)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    295
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      10.0
_cell_volume                     2868.7(5)
_computing_cell_refinement       'AFC Diffractometer Control Software'
_computing_data_collection
'AFC Diffractometer Control Software (Rigaku, 1987)'
_computing_data_reduction
;
AFC Diffractometer Control Software
and local program F2-AFC (Matsushita, 1998)
;
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2005)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELX76 (Sheldrick, 1976)'
_diffrn_ambient_temperature      295
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku AFC-5S diffractometer'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0178
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7883
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.75
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    13.141
_exptl_absorpt_correction_T_max  0.5006
_exptl_absorpt_correction_T_min  0.1269
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   '(Coppens <i>et al.</i>,  1965)'
_exptl_crystal_colour            gold
_exptl_crystal_density_diffrn    2.913
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2312
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.905
_refine_diff_density_min         -2.018
_refine_ls_extinction_coef       0.00064(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     314
_refine_ls_number_reflns         4491
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.104
_refine_ls_R_factor_gt           0.0325
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0440P)^2^+18.1327P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0830
_refine_ls_wR_factor_ref         0.0836
_reflns_number_gt                4431
_reflns_number_total             6603
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ob1246.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not
given.

'_exptl_absorpt_correction_type' value 'Gaussian' changed to
'gaussian' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2014375
_cod_database_fobs_code          2014375