<i>N</i>,<i>N</i>-Ru(II)-<i>p</i>-cymene-poly(<i>N</i>-vinylpyrrolidone) surface functionalized gold nanoparticles: from organoruthenium complex to nanomaterial for antiproliferative activity.
Gopalakrishnan, Durairaj; Saravanan, S.; Merckx, Ronald; Madan Kumar, Arumugam; Khamrang, Themmila; Velusamy, Marappan; Vasanth, K.; Sunitha, S.; Hoogenboom, Richard; Maji, Samarendra; Ganeshpandian, Mani; Dalton transactions (Cambridge, England : 2003) 50 (2021) 8232–8242; doi:10.1039/d1dt00694k

data_7707477
_publ_section_title
;
 <i>N</i>,<i>N</i>-Ru(II)-<i>p</i>-cymene-poly(<i>N</i>-vinylpyrrolidone)
 surface functionalized gold nanoparticles: from organoruthenium complex
 to nanomaterial for antiproliferative activity.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8232
_journal_page_last               8242
_journal_paper_doi               10.1039/d1dt00694k
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C37 H36 Cl3 F6 N2 O2 P Ru'
_chemical_formula_weight         893.07
_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   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2021-02-02 deposited with the CCDC.	2021-05-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.107(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.4890(7)
_cell_length_b                   16.8744(10)
_cell_length_c                   21.4270(12)
_cell_measurement_reflns_used    7630
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.367
_cell_measurement_theta_min      3.487
_cell_volume                     3763.3(4)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  EOS,Gemini
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0286
_diffrn_reflns_av_unetI/netI     0.0510
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            14712
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.367
_diffrn_reflns_theta_min         3.487
_exptl_absorpt_coefficient_mu    0.738
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_description       cube
_exptl_crystal_F_000             1808
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.40
_refine_diff_density_max         1.889
_refine_diff_density_min         -1.254
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         7630
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0861
_refine_ls_R_factor_gt           0.0665
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0819P)^2^+9.6840P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1662
_refine_ls_wR_factor_ref         0.1800
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5971
_reflns_number_total             7630
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt00694k2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7707477.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7707477
_shelxl_version_number           2013-4
_shelx_res_checksum              4523
_shelx_hkl_checksum              10455