Synthesis, crystal structure and thermal decomposition pathway of bis-(iso-seleno-cyanato-κ<i>N</i>)tetra-kis-(pyridine-κ<i>N</i>)manganese(II).
Näther, Christian; Mangelsen, Sebastian; Boeckmann, Jan; Acta crystallographica. Section E, Crystallographic communications 79 (2023) 482–487; doi:10.1107/S2056989023003535

data_2022751
_publ_section_title
;
 Synthesis, crystal structure and thermal decomposition pathway of
 bis-(iso-seleno-cyanato-&#x3ba;<i>N</i>)tetra-kis-(pyridine-&#x3ba;<i>N</i>)manganese(II).
;
_journal_coeditor_code           HB8063
_journal_issue                   'Pt 5'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              482
_journal_page_last               487
_journal_paper_doi               10.1107/S2056989023003535
_journal_volume                  79
_journal_year                    2023
_chemical_formula_iupac          '[Mn (N C Se)2 (C5 H5 N)2]'
_chemical_formula_moiety         'C22 H20 Mn N6 Se2'
_chemical_formula_sum            'C22 H20 Mn N6 Se2'
_chemical_formula_weight         581.30
_chemical_name_systematic
;
Bis(isoselenocyanato-\k<i>N</i>)tetrakis(pyridine-\k<i>N</i>)manganese(II)
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
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_cell_length_b                   13.4331(8)
_cell_length_c                   15.1300(12)
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_cell_measurement_temperature    170(2)
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_cell_volume                     2414.2(3)
_computing_cell_refinement
;
X-AREA (Stoe & Cie, 2008)
;
_computing_data_collection
;
X-AREA (Stoe & Cie, 2008)
;
_computing_data_reduction
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X-AREA (Stoe & Cie, 2008)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg & Putz, 1999)
;
_computing_publication_material
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publCIF (Westrip, 2010)
;
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SHELXL2016 (Sheldrick, 2015b)
;
_computing_structure_solution
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SHELXT2014 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      170(2)
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Stoe IPDS-2'
_diffrn_measurement_method       'Omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
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_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
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_diffrn_reflns_theta_max         26.999
_diffrn_reflns_theta_min         2.388
_exptl_absorpt_coefficient_mu    3.583
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_exptl_absorpt_correction_T_min  0.3319
_exptl_absorpt_correction_type   numerical
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_refine_ls_R_factor_all          0.0568
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0376P)^2^+6.3344P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments          'Adding full bibliography for 2022751.cif.'
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