Ferromagnetic exchange interaction in a new Ir(iv)-Cu(ii) chain based on the hexachloroiridate(iv) anion.
Sanchis-Perucho, Adrián; Martínez-Lillo, José; Dalton transactions (Cambridge, England : 2003) 48 (2019) 13925–13930; doi:10.1039/c9dt02884f

data_7700837
_publ_section_title
;
 Ferromagnetic exchange interaction in a new Ir(iv)-Cu(ii) chain based on
 the hexachloroiridate(iv) anion.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13925
_journal_page_last               13930
_journal_paper_doi               10.1039/c9dt02884f
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C20 H24 Cl6 Cu Ir N8'
_chemical_formula_sum            'C20 H24 Cl6 Cu Ir N8'
_chemical_formula_weight         844.91
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2019-06-11 deposited with the CCDC.    2019-08-14 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'D8 VENTURE'
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_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0999
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_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_theta_max         27.871
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'Kong Mun Lo , Seik Weng Ng , Bruker Smart Apex , Sadabs Sheldrick (2008)'
_exptl_crystal_colour            red-brown
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_exptl_crystal_preparation       'Magnetic properties'
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_refine_ls_extinction_coef       0.00092(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/1 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.101
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_refine_ls_number_parameters     167
_refine_ls_number_reflns         3424
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.106
_refine_ls_R_factor_all          0.0995
_refine_ls_R_factor_gt           0.0647
_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^)+(0.0493P)^2^+122.3591P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1420
_refine_ls_wR_factor_ref         0.1589
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2460
_reflns_number_total             3424
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt02884f2.cif
_cod_data_source_block           compound_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-Scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7700836--7700837.cif.
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_cod_database_code               7700837
_shelx_shelxl_version_number     2018/1
_exptl_absorpt_special_details   Sadabs
_shelx_res_checksum              59563