Crystal structures of four dimeric manganese(II) bromide coordination complexes with various derivatives of pyridine <i>N</i>-oxide
Lynch, Sheridan; Lynch, Genevieve; Lynch, Will E.; Padgett, Clifford W.; Acta Crystallographica Section E 75 (2019) 1284–1290; doi:10.1107/S2056989019010557

data_2243040
_publ_section_title
;
 Crystal structures of four dimeric manganese(II) bromide coordination
 complexes with various derivatives of pyridine <i>N</i>-oxide
;
_journal_coeditor_code           SU5505
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1284
_journal_page_last               1290
_journal_paper_doi               10.1107/S2056989019010557
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          '[Mn2 Br4 (C6 H7 N O)4 (C H4 O)2]'
_chemical_formula_moiety         'C26 H36 Br4 Mn2 N4 O6'
_chemical_formula_sum            'C26 H36 Br4 Mn2 N4 O6'
_chemical_formula_weight         930.11
_chemical_name_systematic
;
Bis(\m-4-methylpyridine <i>N</i>-oxide)bis[dibromidomethanol(4-methylpyridine
<i>N</i>-oxide)manganese(II)]
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
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;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_length_a                   13.5384(7)
_cell_length_b                   9.5354(4)
_cell_length_c                   13.7292(7)
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_computing_cell_refinement
;
CrysAlisPro (Rigaku Oxford Diffraction, 2018)
;
_computing_data_collection
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CrysAlisPro (Rigaku Oxford Diffraction, 2018)
;
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CrysAlisPro (Rigaku Oxford Diffraction, 2018)
;
_computing_molecular_graphics
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009) and Mercury (Macrae <i>et
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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ShelXL (Sheldrick, 2015b)
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ShelXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      170
_diffrn_detector                 'Rigaku XtaLAB area detector'
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_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'abstract diffractometer'
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_diffrn_reflns_av_unetI/netI     0.0428
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;
(CrysAlisPro; Rigaku Oxford Diffraction, 2018)
;
_exptl_crystal_colour            'clear light brown'
_exptl_crystal_density_diffrn    1.790
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             916
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.4
_refine_diff_density_max         1.639
_refine_diff_density_min         -0.737
_refine_ls_extinction_method     none
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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^)+(0.0665P)^2^+0.0317P] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_ref         0.1116
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           IV
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_shelx_estimated_absorpt_t_min   0.221
_shelx_estimated_absorpt_t_max   0.221
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_cod_database_fobs_code 2243040