Evaluation of novel platinum(ii) based AIE compound-encapsulated mesoporous silica nanoparticles for cancer theranostic application.
Pasha, Sheik Saleem; Fageria, Leena; Climent, Clàudia; Rath, Nigam P.; Alemany, Pere; Chowdhury, Rajdeep; Roy, Aniruddha; Laskar, Inamur Rahaman; Dalton transactions (Cambridge, England : 2003) 47 (2018) 4613–4624; doi:10.1039/c7dt04232a

data_7045650
_publ_section_title
;
 Evaluation of novel platinum(ii) based AIE compound-encapsulated
 mesoporous silica nanoparticles for cancer theranostic application.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4613
_journal_page_last               4624
_journal_paper_doi               10.1039/c7dt04232a
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C36 H30 N P2 Pt, Cl, H2 O'
_chemical_formula_sum            'C36 H32 Cl N O P2 Pt'
_chemical_formula_weight         787.10
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2017-10-14 deposited with the CCDC.
2018-02-15 downloaded from the CCDC.
;
_cell_angle_alpha                68.702(3)
_cell_angle_beta                 64.622(3)
_cell_angle_gamma                62.360(3)
_cell_formula_units_Z            2
_cell_length_a                   11.9184(9)
_cell_length_b                   12.1854(9)
_cell_length_c                   13.4699(10)
_cell_measurement_reflns_used    9652
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      36.35
_cell_measurement_theta_min      2.83
_cell_volume                     1532.4(2)
_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-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT-2013 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_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  0.0269
_diffrn_reflns_av_unetI/netI     0.0273
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            52264
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         36.404
_diffrn_reflns_theta_min         1.928
_exptl_absorpt_coefficient_mu    4.801
_exptl_absorpt_correction_T_max  0.5676
_exptl_absorpt_correction_T_min  0.4092
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'sadabs v2014/3'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.706
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             776
_exptl_crystal_size_max          0.426
_exptl_crystal_size_mid          0.349
_exptl_crystal_size_min          0.185
_refine_diff_density_max         1.269
_refine_diff_density_min         -0.996
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     449
_refine_ls_number_reflns         14903
_refine_ls_number_restraints     51
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0226
_refine_ls_R_factor_gt           0.0191
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0142P)^2^+0.7170P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0401
_refine_ls_wR_factor_ref         0.0413
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13852
_reflns_number_total             14903
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt04232a2.cif
_cod_data_source_block           r15814
_cod_depositor_comments          'Adding full bibliography for 7045650.cif.'
_cod_database_code               7045650
_shelx_estimated_absorpt_t_min   0.234
_shelx_estimated_absorpt_t_max   0.470
_shelxl_version_number           2014-3
_shelx_res_checksum              65926