Neutron diffraction study of [Pt(en)~2~][Pt(en)~2~I~2~](ClO~4~)~4~ at 20 K: structure and evidence of a new phase transition
Bardeau, J.-F.; Bulou, A.; Klooster, W. T.; Koetzle, T. F.; Johnson, S.; Scott, B.; Swanson, B. I.; Eckert, J.; Acta Crystallographica Section B 52 (1996) 854–864; doi:10.1107/S0108768196004661

data_2101604
_publ_section_title
;
 Neutron diffraction study of [Pt(en)~2~][Pt(en)~2~I~2~](ClO~4~)~4~ at
 20 K: structure and evidence of a new phase transition
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              854
_journal_page_last               864
_journal_paper_doi               10.1107/S0108768196004661
_journal_volume                  52
_journal_year                    1996
_chemical_formula_moiety
'[Pt (C2 D8 N2 )2 ][Pt (C2 D8 N2 )2 I2 ](Cl O4 )4 '
_chemical_formula_sum            'C8 Cl4 D32 I2 N8 O16 Pt2'
_chemical_formula_weight         1313.98
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           'Sears (1992)'
_cell_angle_alpha                90.0
_cell_angle_beta                 99.190(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   16.650(7)
_cell_length_b                   5.760(2)
_cell_length_c                   14.751(2)
_cell_measurement_reflns_used    32
_cell_measurement_temperature    20
_cell_measurement_theta_max      25
_cell_measurement_theta_min      20
_cell_volume                     1396.5(8)
_diffrn_measurement_device       'Four-circle diffractometer'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           Neutron
_diffrn_radiation_wavelength     1.04620(10)
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            5118
_diffrn_reflns_theta_max         55
_diffrn_standards_decay_%        0
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.01535
_exptl_absorpt_correction_T_max  0.986
_exptl_absorpt_correction_T_min  0.968
_exptl_crystal_colour            'opaque, golden brown'
_exptl_crystal_density_diffrn    3.1242
_exptl_crystal_density_meas      ?
_exptl_crystal_description       parallelepiped
_exptl_crystal_size_max          3.0
_exptl_crystal_size_mid          2.2
_exptl_crystal_size_min          0.9
_refine_ls_extinction_method     'Isotropic type I (Becker & Coppens, 1974)'
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     170
_refine_ls_number_reflns         2608
_refine_ls_R_factor_obs          0.0374
_refine_ls_structure_factor_coef Fsqd
_refine_ls_wR_factor_obs         0.0501
_reflns_number_observed          2608
_reflns_number_total             5018
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            du0404.cif
_cod_data_source_block           du0404a
_cod_original_cell_volume        1396.50(10)
_cod_original_formula_sum        'C8 D32 Cl4 I2 N8 O16 Pt2'
_cod_database_code               2101604