Rare observation of ‘aggregation induced emission’ in cyclometalated platinum(ii) complexes and their biological activities
Pasha, Sheik Saleem; Alam, Parvej; Dash, Subhra; Kaur, Gurpreet; Banerjee, Debashree; Chowdhury, Rajdeep; Rath, Nigam; Roy Choudhury, Angshuman; Laskar, Inamur Rahaman; RSC Adv. 4 (2014) 50549–; doi:10.1039/C4RA06623E

data_7235711
_publ_section_title
;
 Rare observation of &#x2018;aggregation induced emission&#x2019; in
 cyclometalated platinum(ii) complexes and their biological activities
;
_journal_issue                   92
_journal_name_full               'RSC Adv.'
_journal_page_first              50549
_journal_paper_doi               10.1039/C4RA06623E
_journal_volume                  4
_journal_year                    2014
_chemical_formula_moiety         'C37 H32 N P2 Pt, (C H4 O), (Cl)'
_chemical_formula_sum            'C38 H36 Cl N O P2 Pt'
_chemical_formula_weight         815.16
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 92.576(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.0210(14)
_cell_length_b                   23.0522(17)
_cell_length_c                   16.6920(13)
_cell_measurement_reflns_used    9894
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.55
_cell_measurement_theta_min      2.44
_cell_volume                     6927.2(9)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXT-2013 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0308
_diffrn_reflns_av_unetI/netI     0.0259
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            40670
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.610
_diffrn_reflns_theta_min         2.443
_exptl_absorpt_coefficient_mu    4.251
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6632
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'sadabs v2012/1'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             3232
_exptl_crystal_size_max          0.378
_exptl_crystal_size_mid          0.211
_exptl_crystal_size_min          0.108
_refine_diff_density_max         1.099
_refine_diff_density_min         -0.565
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     441
_refine_ls_number_reflns         8011
_refine_ls_number_restraints     99
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0361
_refine_ls_R_factor_gt           0.0271
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0375P)^2^+25.5389P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0720
_refine_ls_wR_factor_ref         0.0767
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6812
_reflns_number_total             8011
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4ra06623e2.cif
_cod_data_source_block           r6113
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7235711
_shelx_estimated_absorpt_t_min   0.296
_shelx_estimated_absorpt_t_max   0.657
_shelxl_version_number           2013-4
_shelx_res_checksum              6329