Novel blue luminescent platinum acetylide materials with a 9-acridone or a dansyl group [dansyl = 5-(dimethylamino)naphthalene-1-sulfonyl]
Wong, Wai-Yeung; Choi, Ka-Ho; Cheah, Kwok-Wai; Journal of the Chemical Society, Dalton Transactions  (2000) 113–; doi:10.1039/a908198d

data_7009032
_publ_contact_author
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    ENTER NAME
 ENTER ADDRESS
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_publ_section_title
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 Novel blue luminescent platinum acetylide materials with a 9-acridone
 or a dansyl group
 [dansyl&#x2005;=&#x2005;5-(dimethylamino)naphthalene-1-sulfonyl]
;
_journal_issue                   2
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              113
_journal_paper_doi               10.1039/a908198d
_journal_year                    2000
_chemical_formula_moiety         'C56 H74 N2 O2 P2 Pt '
_chemical_formula_sum            'C56 H74 N2 O2 P2 Pt'
_chemical_formula_weight         1064.25
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Sat Nov 27 11:29:14 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 100.632(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.9213(5)
_cell_length_b                   15.3887(8)
_cell_length_c                   18.1315(9)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     2720.7(2)
_computing_cell_refinement       'Bruker Axs Smart 1000 CCD'
_computing_data_collection       'Bruker Axs Smart 1000 CCD'
_computing_data_reduction        SAINT
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    'SIR 92'
_diffrn_ambient_temperature      298.2
_diffrn_measurement_device       'Bruker Axs Smart 1000 CCD'
_diffrn_measurement_method       'omega scans with profile analysis'
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
_diffrn_orient_matrix_UB_13      0.00000
_diffrn_orient_matrix_UB_21      0.00000
_diffrn_orient_matrix_UB_22      0.00000
_diffrn_orient_matrix_UB_23      0.00000
_diffrn_orient_matrix_UB_31      0.00000
_diffrn_orient_matrix_UB_32      0.00000
_diffrn_orient_matrix_UB_33      0.00000
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  2.43
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            16000
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         1.75
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.667
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.299
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1096.00
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.27
_refine_diff_density_max         0.62
_refine_diff_density_min         -0.32
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.109
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     275
_refine_ls_number_reflns         3811
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0337
_refine_ls_shift/esd_max         0.0130
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0404
_reflns_number_observed          3811
_reflns_number_total             6301
_reflns_observed_criterion       1.50
_cod_data_source_file            a908198d.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 65 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c     '
_cod_original_formula_sum        'C56 H74 N2 O2 P2 Pt '
_cod_database_code               7009032