Pyridine-2-carboxaldehyde as ligand: synthesis and derivatization of carbonyl complexes.
Alvarez, Celedonio M.; García-Rodríguez, Raúl; Miguel, Daniel; Dalton transactions (Cambridge, England : 2003)  (2007) 3546–3554; doi:10.1039/b702418e

data_7005459
_publ_section_title
;
 Pyridine-2-carboxaldehyde as ligand: synthesis and derivatization of
 carbonyl complexes.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3546
_journal_page_last               3554
_journal_paper_doi               10.1039/b702418e
_journal_year                    2007
_chemical_formula_sum            'C13 H12 Br Mn N2 O5'
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_chemical_name_systematic
;
?
;
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_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
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_diffrn_measurement_method       'phi and omega scans'
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_diffrn_reflns_theta_max         23.30
_diffrn_reflns_theta_min         1.36
_exptl_absorpt_coefficient_mu    3.292
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.556271
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            ORANGE_RED
_exptl_crystal_density_diffrn    1.680
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       NEEDDLE
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0848P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1550
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_reflns_number_gt                1400
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b702418e.txt
_cod_data_source_block           Compound_2a_rg612am
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        812.7(3)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7005459