Neutral and cationic osmium(II)-arene metallodendrimers: Synthesis, characterisation and anticancer activity
Preshendren Govender; Fabio Edafe; Banothile C.E. Makhubela; Paul J. Dyson; Bruno Therrien; Gregory S. Smith; Inorganica Chimica Acta  (2014) 112–120; doi:10.1016/j.ica.2013.05.025

data_1543549
_publ_section_title
;
 Neutral and cationic osmium(II)-arene metallodendrimers: Synthesis,
 characterisation and anticancer activity
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              112
_journal_page_last               120
_journal_paper_doi               10.1016/j.ica.2013.05.025
_journal_volume                  409A
_journal_year                    2014
_chemical_formula_sum            'C19 H26 Cl F6 N2 Os P'
_chemical_formula_weight         653.04
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                82.159(15)
_cell_angle_beta                 80.047(14)
_cell_angle_gamma                84.028(14)
_cell_formula_units_Z            2
_cell_length_a                   9.2552(11)
_cell_length_b                   9.8786(11)
_cell_length_c                   12.2867(16)
_cell_measurement_temperature    293(2)
_cell_volume                     1092.4(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.919
_diffrn_measured_fraction_theta_max 0.919
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0747
_diffrn_reflns_av_sigmaI/netI    0.0844
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8685
_diffrn_reflns_theta_full        26.19
_diffrn_reflns_theta_max         26.19
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    6.092
_exptl_crystal_density_diffrn    1.985
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             632
_refine_diff_density_max         2.980
_refine_diff_density_min         -4.624
_refine_diff_density_rms         0.279
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     275
_refine_ls_number_reflns         4029
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0649
_refine_ls_R_factor_gt           0.0520
_refine_ls_shift/su_max          0.041
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0800P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1222
_refine_ls_wR_factor_ref         0.1278
_reflns_number_gt                3262
_reflns_number_total             4029
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2014-409A-112-120-2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_journal_paper_doi' value 'doi:10.1016/j.ica.2013.05.025' was
changed to '10.1016/j.ica.2013.05.025'.

Automatic conversion script
Id: cif_fix_values 6433 2018-09-21 13:16:33Z andrius 

The following automatic conversions were performed:

data name '_atom_site_symetry_multiplicity' was replaced with
'_atom_site_symmetry_multiplicity' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_database_code               1543549