The unexpected reactivity of 9-iodo-nido-carborane: from nucleophilic substitution reactions to the synthesis of tricobalt tris(dicarbollide) Na[4,4',4''-(MeOCH<sub>2</sub>CH<sub>2</sub>O)<sub>3</sub>-3,3',3''-Co<sub>3</sub>(μ<sup>3</sup>-O)(μ<sup>3</sup>-S)(1,2-C<sub>2</sub>B<sub>9</sub>H<sub>10</sub>)<sub>3</sub>].
Stogniy, Marina Yu; Anufriev, Sergey A.; Shmal'ko, Akim V.; Antropov, Sergey M.; Anisimov, Aleksei A.; Suponitsky, Kyrill Yu; Filippov, Oleg A.; Sivaev, Igor B.; Dalton transactions (Cambridge, England : 2003) 50 (2021) 2671–2688; doi:10.1039/d0dt03857a

data_7706517
_publ_section_title
;
 The unexpected reactivity of 9-iodo-nido-carborane: from nucleophilic
 substitution reactions to the synthesis of tricobalt tris(dicarbollide)
 Na[4,4',4''-(MeOCH<sub>2</sub>CH<sub>2</sub>O)<sub>3</sub>-3,3',3''-Co<sub>3</sub>(\m<sup>3</sup>-O)(\m<sup>3</sup>-S)(1,2-C<sub>2</sub>B<sub>9</sub>H<sub>10</sub>)<sub>3</sub>].
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2671
_journal_page_last               2688
_journal_paper_doi               10.1039/d0dt03857a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C10 H34 B18 Co O4 -, K +, C H2 Cl2, C3 H6 O'
_chemical_formula_sum            'C14 H42 B18 Cl2 Co K O5'
_chemical_formula_weight         653.98
_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_creation_method           SHELXL-2014/6
_audit_update_record
;
2020-12-30 deposited with the CCDC.	2021-01-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 115.3420(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.3335(2)
_cell_length_b                   35.5869(7)
_cell_length_c                   9.6373(2)
_cell_measurement_reflns_used    9925
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      26.22
_cell_measurement_theta_min      2.25
_cell_volume                     3202.95(11)
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_collection       'APEX (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
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'SHELXL-2014/6 (Sheldrick, 2014) and PLATON (Spek, 2015)'
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_computing_structure_solution    'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0631
_diffrn_reflns_av_unetI/netI     0.0304
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       45
_diffrn_reflns_limit_k_min       -45
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_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            109882
_diffrn_reflns_point_group_measured_fraction_full 0.995
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_diffrn_reflns_theta_max         27.228
_diffrn_reflns_theta_min         2.181
_diffrn_source                   'sealed tube'
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_exptl_absorpt_correction_T_min  0.829
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2014/5 (Bruker,2014/5)'
_exptl_crystal_colour            orange-red
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_description       prizm
_exptl_crystal_F_000             1344
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.328
_refine_diff_density_min         -0.887
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     454
_refine_ls_number_reflns         7134
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0651
_refine_ls_R_factor_gt           0.0493
_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^)+(0.0484P)^2^+5.5639P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1159
_refine_ls_wR_factor_ref         0.1251
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5820
_reflns_number_total             7134
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt03857a2.cif
_cod_data_source_block           siv35
_cod_depositor_comments
'Adding full bibliography for 7706515--7706517.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7706517
_shelxl_version_number           2014/6
_shelx_res_checksum              58187
_shelx_hkl_checksum              3221