Synthesis of a cationic ruthenium(ii) complex and its non-enzymatic glucose-sensing properties
Dayan, Serkan; Özdemir, Namık; Erdener, Diğdem; Dayan, Osman; Çetinkaya, Bekir; New Journal of Chemistry 47 (2023) 10187–10194; doi:10.1039/D2NJ05470A

data_7062443
_publ_section_title
;
 Synthesis of a cationic ruthenium(ii) complex and its non-enzymatic
 glucose-sensing properties
;
_journal_issue                   21
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              10187
_journal_page_last               10194
_journal_paper_doi               10.1039/D2NJ05470A
_journal_volume                  47
_journal_year                    2023
_chemical_formula_moiety         'C31 H37 Cl N5 Ru, Cl, 3(H2 O)'
_chemical_formula_sum            'C31 H43 Cl2 N5 O3 Ru'
_chemical_formula_weight         705.67
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_doi                 10.5517/ccdc.csd.cc246mxx
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-08-05 deposited with the CCDC.	2023-04-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 111.054(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.5680(16)
_cell_length_b                   9.9901(6)
_cell_length_c                   19.1861(14)
_cell_measurement_reflns_used    33425
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.24
_cell_measurement_theta_min      1.62
_cell_volume                     3500.2(5)
_computing_cell_refinement       X-AREA
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED32 (Stoe & Cie, 2002)'
_computing_molecular_graphics    'OLEX2 (Dolomanov et al., 2009)'
_computing_publication_material
'OLEX2 (Dolomanov et al., 2009) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SIR-2019 (Burla et al., 2015)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_collimation    '0.8 mm diameter, multiple pinhole'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1578
_diffrn_reflns_av_unetI/netI     0.1216
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            39321
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.126
_diffrn_reflns_theta_min         2.144
_diffrn_source
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_exptl_absorpt_coefficient_mu    0.637
_exptl_absorpt_correction_T_max  0.9310
_exptl_absorpt_correction_T_min  0.6380
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'X-RED32 (Stoe & Cie, 2002)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_description       prism
_exptl_crystal_F_000             1464
_exptl_crystal_size_max          0.680
_exptl_crystal_size_mid          0.510
_exptl_crystal_size_min          0.130
_refine_diff_density_max         0.386
_refine_diff_density_min         -0.688
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.931
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     529
_refine_ls_number_reflns         7673
_refine_ls_number_restraints     451
_refine_ls_restrained_S_all      0.912
_refine_ls_R_factor_all          0.1707
_refine_ls_R_factor_gt           0.0676
_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^)+(0.0765P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1403
_refine_ls_wR_factor_ref         0.1790
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3323
_reflns_number_total             7673
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2nj05470a2.cif
_cod_data_source_block           muh49
_cod_depositor_comments          'Adding full bibliography for 7062443.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7062443
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.671
_shelx_estimated_absorpt_t_max   0.922
_shelx_res_checksum              58839