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_7039323
_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         'C4 H5 I2 N3'
_chemical_formula_sum            'C4 H5 I2 N3'
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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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;
Bruker SAINT v8.34A (Bruker, 2013), Bruker XPREP v2014/2 (Bruker, 2014)
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_computing_molecular_graphics    'Bruker SHELXTL v2014/7 (Bruker, 2014)'
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'SHELXL-2014/7 (Sheldrick, 2014) within WINGX (Farrugia, 2012)'
_computing_structure_solution    'Bruker SHELXTL v2014/7 (Bruker, 2014)'
_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.876
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_exptl_crystal_colour            colourless
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_exptl_crystal_description       plate
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_refine_ls_matrix_type           full
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_refine_ls_R_factor_all          0.0344
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0222P)^2^+2.5494P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0808
_refine_ls_wR_factor_ref         0.0831
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1945
_reflns_number_total             2117
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
;
The following automatic conversions were performed:
'__diffrn_radiation_source' tag replaced with
'_diffrn_radiation_source' tag.

Automatic conversion script
Id: cif_correct_tags 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7039322--7039325.cif.
;
_cod_database_code               7039323
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.193
_shelx_estimated_absorpt_t_max   0.499