Systematic structural control of multichromic platinum(ii)-diimine complexes ranging from ionic solid to coordination polymer.
Kobayashi, Atsushi; Hara, Hirofumi; Yonemura, Tsubasa; Chang, Ho-Chol; Kato, Masako; Dalton transactions (Cambridge, England : 2003) 41 (2012) 1878–1888; doi:10.1039/c1dt11155h

data_7017561
_publ_section_title
;
 Systematic structural control of multichromic platinum(ii)-diimine
 complexes ranging from ionic solid to coordination polymer.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1878
_journal_page_last               1888
_journal_paper_doi               10.1039/c1dt11155h
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C14 H16 Ba N4 O9 Pt '
_chemical_formula_sum            'C14 H16 Ba N4 O9 Pt'
_chemical_formula_weight         716.72
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 94.4477(11)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   7.3068(19)
_cell_length_b                   17.634(5)
_cell_length_c                   15.226(4)
_cell_measurement_reflns_used    5596
_cell_measurement_temperature    150.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1955.9(9)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR2004
_diffrn_ambient_temperature      150.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.052
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15324
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    9.171
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.025
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
Higashi, T. (1999). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.434
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1336.00
_exptl_crystal_size_max          1.00
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.01
_refine_diff_density_max         2.18
_refine_diff_density_min         -1.49
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     263
_refine_ls_number_reflns         4476
_refine_ls_R_factor_gt           0.0393
_refine_ls_shift/su_max          0.0020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0235P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0839
_reflns_number_gt                3525
_reflns_number_total             4476
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c1dt11155h.txt
_cod_data_source_block           '__BaPt-5H2O'
_cod_original_formula_sum        'C14 H16 Ba N4 O9 Pt '
_cod_database_code               7017561