Merging Platinahelicene and Nanographene: A Strategy for Circularly Polarized Phosphorescence in the Near-Infrared (NIR)
Cui, Wenying; Zhou, Huimin; Roisnel, Thierry; Vanthuyne, Nicolas; Shen, Chengshuo; Grzybowski, Joachim; Williams, Gareth; Srebro-Hooper, Monika; Gisbert, Yohan; Crassous, Jeanne; Chemical Communications  (2026) –; doi:10.1039/D6CC00576D

data_7135681
_publ_section_title
;
 Merging platinahelicene and nanographene: a strategy for circularly
 polarized phosphorescence in the near-infrared (NIR).
;
_journal_issue                   31
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              8027
_journal_page_last               8031
_journal_paper_doi               10.1039/d6cc00576d
_journal_volume                  62
_journal_year                    2026
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C76 H69 N O2 Pt [+ solvent]'
_chemical_formula_sum            'C76 H69 N O2 Pt'
_chemical_formula_weight         1223.41
_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     dual
_audit_update_record
;
2026-01-07 deposited with the CCDC.	2026-03-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 130.259(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.9437(10)
_cell_length_b                   32.6613(17)
_cell_length_c                   27.5799(14)
_cell_measurement_reflns_used    9835
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.4705
_cell_measurement_theta_min      2.3000
_cell_measurement_wavelength     0.710730
_cell_volume                     13709.8(13)
_computing_cell_refinement       'APEX3 (Bruker, 2015)'
_computing_data_collection       'Bruker APEX3 (Bruker, 2015)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics
;
   'SXGRAPH (L. Farrugia, 1999), Mercury (CSD, 2020)'
;
_computing_publication_material  'CRYSCALC (T. Roisnel, local program, 2024)'
_computing_structure_refinement  'SHELXL-2019_2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT 2018_2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 CMOS-PHOTON70
_diffrn_detector_area_resol_mean 7.39
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'D8 VENTURE Bruker AXS'
_diffrn_measurement_method       'rotation images'
_diffrn_orient_matrix_UB_11      -0.0088246
_diffrn_orient_matrix_UB_12      -0.0297130
_diffrn_orient_matrix_UB_13      0.0031423
_diffrn_orient_matrix_UB_21      -0.0278675
_diffrn_orient_matrix_UB_22      0.0073197
_diffrn_orient_matrix_UB_23      0.0186479
_diffrn_orient_matrix_UB_31      -0.0588438
_diffrn_orient_matrix_UB_32      0.0009895
_diffrn_orient_matrix_UB_33      -0.0435867
_diffrn_radiation_monochromator  'multilayer monochromator'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Incoatec microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0444
_diffrn_reflns_av_unetI/netI     0.0452
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            55031
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_min         2.302
_diffrn_source_current           1.00
_diffrn_source_power             50.0
_diffrn_source_voltage           50.00
_exptl_absorpt_coefficient_mu    2.089
_exptl_absorpt_correction_T_max  0.920
_exptl_absorpt_correction_T_min  0.743
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.185
_exptl_crystal_description       board
_exptl_crystal_F_000             5008
_exptl_crystal_size_max          0.390
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.040
_refine_diff_density_max         1.756
_refine_diff_density_min         -1.141
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.960
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     726
_refine_ls_number_reflns         15624
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.960
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0318
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0565P)^2^+9.0998P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0832
_refine_ls_wR_factor_ref         0.0915
_reflns_number_gt                12380
_reflns_number_total             15624
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d6cc00576d2.cif
_cod_data_source_block           CWY038
_cod_depositor_comments          'Adding full bibliography for 7135681.cif.'
_cod_original_cell_volume        13709.8(12)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7135681
_shelx_res_checksum              43115
_shelx_hkl_checksum              13161
_shelx_fab_checksum              98731