Poly[(μ~2~-azido-κ^2^<i>N</i>^1^:<i>N</i>^1^)[μ~2~-5-(8-quinolyloxymethyl)tetrazolato-κ^4^<i>N</i>^1^,<i>O</i>,<i>N</i>^5^:<i>N</i>^4^]manganese(II)]
Chen, Fang; Ye, Heng-Yun; Acta Crystallographica Section E 64 (2008) m1060–; doi:10.1107/S1600536808022617

data_2219139
_publ_section_title
Poly[(\m~2~-azido-\k^2^<i>N</i>^1^:<i>N</i>^1^)[\m~2~-5-(8-quinolyloxymethyl)tetrazolato-\k^4^<i>N</i>^1^,<i>O</i>,<i>N</i>^5^:<i>N</i>^4^]manganese(II)]
_journal_coeditor_code           RK2100
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1060
_journal_paper_doi               10.1107/S1600536808022617
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Mn (C11 H8 N5 O) (N3)]'
_chemical_formula_moiety         'C11 H8 Mn N8 O'
_chemical_formula_sum            'C11 H8 Mn N8 O'
_chemical_formula_weight         323.19
_chemical_name_systematic
;
Poly[(\m~2~-azido-\k^2^N^1^:N^1^)[\m~2~-5-(8-quinolyloxymethyl)tetrazolato-
\k^4^N^1^,O,N^5^:N^4^]manganese(II)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 90.676(18)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.431(2)
_cell_length_b                   14.431(3)
_cell_length_c                   8.589(2)
_cell_measurement_reflns_used    3074
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.87
_cell_measurement_theta_min      2.82
_cell_volume                     1292.8(5)
_computing_cell_refinement       'CrystalClear (Rigaku, 2005)'
_computing_data_collection       'CrystalClear (Rigaku, 2005)'
_computing_data_reduction        'CrystalClear (Rigaku, 2005)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 13.6612
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku, SCXmini'
_diffrn_measurement_method       \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  0.0542
_diffrn_reflns_av_sigmaI/netI    0.0433
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            13382
_diffrn_reflns_theta_full        27.87
_diffrn_reflns_theta_max         27.87
_diffrn_reflns_theta_min         2.82
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.034
_exptl_absorpt_correction_T_max  0.8860
_exptl_absorpt_correction_T_min  0.8199
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2005)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.661
_exptl_crystal_density_method    'Not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             652
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.323
_refine_diff_density_min         -0.406
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         3074
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.0633
_refine_ls_R_factor_gt           0.0460
_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^)+(0.0431P)^2^+0.2319P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0979
_refine_ls_wR_factor_ref         0.1055
_reflns_number_gt                2472
_reflns_number_total             3074
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            rk2100.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2219139
_cod_database_fobs_code          2219139