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_1543548
_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            'C26 H38 F6 N4 O Os P2'
_chemical_formula_weight         788.74
_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                103.275(4)
_cell_angle_beta                 97.262(4)
_cell_angle_gamma                102.771(4)
_cell_formula_units_Z            2
_cell_length_a                   9.2386(4)
_cell_length_b                   11.0355(5)
_cell_length_c                   15.4940(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1473.06(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0590
_diffrn_reflns_av_sigmaI/netI    0.0474
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            27293
_diffrn_reflns_theta_full        29.20
_diffrn_reflns_theta_max         29.20
_diffrn_reflns_theta_min         1.96
_exptl_absorpt_coefficient_mu    4.503
_exptl_crystal_density_diffrn    1.778
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             780
_refine_diff_density_max         1.496
_refine_diff_density_min         -2.190
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.128
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     365
_refine_ls_number_reflns         7950
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.128
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0366
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0207P)^2^+4.0984P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0758
_refine_ls_wR_factor_ref         0.0780
_reflns_number_gt                6973
_reflns_number_total             7950
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2014-409A-112-120-1.cif
_cod_data_source_block           1
_cod_depositor_comments
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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 
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_cod_original_cell_volume        1473.06(11)
_cod_database_code               1543548