Charge-compensated <i>nido</i>-carborane derivatives in the synthesis of iron(II) bis(dicarbollide) complexes.
Stogniy, Marina Yu; Anufriev, Sergey A.; Bogdanova, Ekaterina V.; Gorodetskaya, Nadezhda A.; Anisimov, Alexei A.; Suponitsky, Kyrill Yu; Grishin, Ivan D.; Sivaev, Igor B.; Dalton transactions (Cambridge, England : 2003) 53 (2024) 3363–3376; doi:10.1039/d3dt03549b

data_7714958
_publ_section_title
;
 Charge-compensated <i>nido</i>-carborane derivatives in the synthesis of
 iron(II) bis(dicarbollide) complexes.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3363
_journal_page_last               3376
_journal_paper_doi               10.1039/d3dt03549b
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C12 H36 B18 Fe O4'
_chemical_formula_sum            'C12 H36 B18 Fe O4'
_chemical_formula_weight         494.84
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_space_group_name_Hall           '-P 2ybc'
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_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2023-07-01 deposited with the CCDC.	2024-01-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      25.76
_cell_measurement_theta_min      2.75
_cell_volume                     1197.72(13)
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_collection       'APEX (Bruker, 2014)'
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'SHELXL-2014/6 (Sheldrick, 2014) and PLATON (Spek, 2009)'
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_computing_structure_solution    'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
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_diffrn_reflns_limit_l_min       -18
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_diffrn_reflns_theta_max         26.036
_diffrn_reflns_theta_min         3.441
_diffrn_source                   'sealed tube'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2014/5 (Bruker,2014/5)'
_exptl_crystal_colour            red-orange
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_exptl_crystal_description       plate
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_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.361
_refine_diff_density_min         -0.390
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     200
_refine_ls_number_reflns         2353
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0641
_refine_ls_R_factor_gt           0.0344
_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^)+(0.0431P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0763
_refine_ls_wR_factor_ref         0.0857
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1711
_reflns_number_total             2353
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3dt03549b2.cif
_cod_data_source_block           siv59
_cod_depositor_comments
'Adding full bibliography for 7714955--7714960.cif.'
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_cod_database_code               7714958
_shelxl_version_number           2014/6
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