Water-soluble luminescent platinum(II) complexes for guanine quadruplex binding.
Kroos, Simon; Hebenbrock, Marian; Hepp, Alexander; Layh, Marcus; Lüke, Joschua; Tonkul, Ali R.; Strassert, Cristian A.; Müller, Jens; Dalton transactions (Cambridge, England : 2003) 54 (2025) 5367–5390; doi:10.1039/d4dt03067b

data_7718171
_publ_section_title
;
 Water-soluble luminescent platinum(II) complexes for guanine quadruplex
 binding.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5367
_journal_page_last               5390
_journal_paper_doi               10.1039/d4dt03067b
_journal_volume                  54
_journal_year                    2025
_chemical_formula_sum            'C25 H21 Cl3 N4 Pt'
_chemical_formula_weight         678.90
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     intrinsic
_audit_creation_method           SHELXL-2019/1
_audit_update_record
;
2024-10-21 deposited with the CCDC.	2025-02-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 117.6590(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.0888(4)
_cell_length_b                   11.9692(3)
_cell_length_c                   15.1411(4)
_cell_measurement_reflns_used    9848
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.061
_cell_measurement_theta_min      2.281
_cell_volume                     2422.01(11)
_computing_cell_refinement       'Bruker SAINT+'
_computing_data_collection       'Bruker APEX3 2019/0'
_computing_data_reduction        'Bruker SAINT+'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type
'Bruker Venture D8 mit Photon III CMOS Detektor'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0223
_diffrn_reflns_av_unetI/netI     0.0160
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            40196
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.061
_diffrn_reflns_theta_min         2.284
_diffrn_source                   microsource
_exptl_absorpt_coefficient_mu    6.146
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.5552
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.862
_exptl_crystal_description       plate
_exptl_crystal_F_000             1312
_exptl_crystal_size_max          0.134
_exptl_crystal_size_mid          0.102
_exptl_crystal_size_min          0.057
_refine_diff_density_max         1.177
_refine_diff_density_min         -0.713
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         7070
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0155
_refine_ls_R_factor_gt           0.0146
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0165P)^2^+2.2114P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0374
_refine_ls_wR_factor_ref         0.0379
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6775
_reflns_number_total             7070
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt03067b2.cif
_cod_data_source_block           sad_a_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7718168--7718171.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7718171
_shelx_shelxl_version_number     2019/1
_shelx_res_checksum              14532
_shelx_hkl_checksum              93607