Poly[bis(μ~2~-azido-κ^2^<i>N</i>^1^:<i>N</i>^3^)(μ~2~-3,5-di-2-pyridyl-1,2,4-triazole-κ^4^<i>N</i>^1^,<i>N</i>^5^:<i>N</i>^2^,<i>N</i>^3^)manganese(II)]
Hu,Sheng; Zhang, Shu-Hua; Zeng, Ming-Hua; Acta Crystallographica Section E 63 (2007) m2543–m2543; doi:10.1107/S1600536807044066

data_2215616
_publ_section_title
Poly[bis(\m~2~-azido-\k^2^<i>N</i>^1^:<i>N</i>^3^)(\m~2~-3,5-di-2-pyridyl-1,2,4-triazole-\k^4^<i>N</i>^1^,<i>N</i>^5^:<i>N</i>^2^,<i>N</i>^3^)manganese(II)]
_journal_coeditor_code           NG2325
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2543
_journal_page_last               m2543
_journal_paper_doi               10.1107/S1600536807044066
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Mn2 (N3)2 (C12 H8 N5)2]'
_chemical_formula_moiety         '(C12 H8 N5)2 (N3)2 Mn2'
_chemical_formula_sum            'C24 H16 Mn2 N16'
_chemical_formula_weight         638.38
_chemical_name_systematic
;
Poly[bis(\m~2~-azido-\k^2^<i>N</i>^1^:<i>N</i>^3^)(\m~2~-3,5-di-2-pyridyl-
1,2,4-triazole-\k^4^N^1^,N^5^:N^2^,N^3^)manganese(II)]
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.245(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   8.6965(9)
_cell_length_b                   6.5597(7)
_cell_length_c                   11.8601(13)
_cell_measurement_reflns_used    2337
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.99
_cell_measurement_theta_min      1.82
_cell_volume                     638.77(12)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  'SHELXTL (Bruker, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0193
_diffrn_reflns_av_sigmaI/netI    0.0475
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            3598
_diffrn_reflns_theta_full        26.99
_diffrn_reflns_theta_max         26.99
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    1.039
_exptl_absorpt_correction_T_max  0.796
_exptl_absorpt_correction_T_min  0.732
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.660
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             322
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.403
_refine_diff_density_min         -0.232
_refine_ls_abs_structure_details 'Flack (1983), with 825 Friedel pairs'
_refine_ls_abs_structure_Flack   0.02(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         2337
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0375
_refine_ls_R_factor_gt           0.0349
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0334P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0751
_refine_ls_wR_factor_ref         0.0762
_reflns_number_gt                2207
_reflns_number_total             2337
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2325.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2215616
_cod_database_fobs_code          2215616