Mono- and diiodo-1,2,3-triazoles and their mono nitro derivatives.
Chand, Deepak; He, Chunlin; Hooper, Joseph P.; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 9684–9688; doi:10.1039/c6dt01731b

data_7039322
_publ_section_title
;
 Mono- and diiodo-1,2,3-triazoles and their mono nitro derivatives.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9684
_journal_page_last               9688
_journal_paper_doi               10.1039/c6dt01731b
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C3 H3 I2 N3'
_chemical_formula_sum            'C3 H3 I2 N3'
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_space_group_name_Hall           'P 2ac -2'
_space_group_name_H-M_alt        'P m n 21'
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2016-01-09 deposited with the CCDC.
2016-05-20 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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;
Bruker SAINT v8.34A (Bruker, 2013), Bruker XPREP v2014/2 (Bruker, 2014)
;
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'SHELXL-2014/7 (Sheldrick, 2014) within WINGX (Farrugia, 2012)'
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_diffrn_ambient_temperature      150(2)
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_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
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_exptl_absorpt_process_details   'SADABS v2014/5 (Bruker, 2008)'
_exptl_crystal_colour            colourless
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_exptl_crystal_description       plate
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0179P)^2^+0.2087P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0452
_refine_ls_wR_factor_ref         0.0453
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_reflns_Friedel_fraction_max     0.878
_reflns_number_gt                830
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'Adding full bibliography for 7039322--7039325.cif.'
_cod_database_code               7039322
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.135
_shelx_estimated_absorpt_t_max   0.864