Mn(II)- and Co(II)-Catalyzed Transformation of 2-Cyanopyrimidine to Methylimidate by Sodium Azide: Isolation, Structural Characterization, and Magnetic Studies on 2D Mn(II)- and Cu(II)-Complexes.
Dolai, Malay; Biswas, Surajit; Escuer, Albert; Ali, Mahammad; Inorganic chemistry 54 (2015) 7030–7037; doi:10.1021/acs.inorgchem.5b01061

data_4346250
_publ_section_title
;
 Mn(II)- and Co(II)-Catalyzed Transformation of 2-Cyanopyrimidine to
 Methylimidate by Sodium Azide: Isolation, Structural Characterization,
 and Magnetic Studies on 2D Mn(II)- and Cu(II)-Complexes.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7030
_journal_page_last               7037
_journal_paper_doi               10.1021/acs.inorgchem.5b01061
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C6 H7 Mn N9 O'
_chemical_formula_sum            'C6 H7 Mn N9 O'
_chemical_formula_weight         276.15
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'BRUKER SMART APEX-II CCD'
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_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    1.679
_exptl_crystal_density_method    'not measured'
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_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0461P)^2^+0.2984P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b01061_si_002.cif
_cod_data_source_block           1
_cod_depositor_comments
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The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Empirical' was
changed to 'empirical' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4346250