(Dihydroxyglyoxime-κ^2^<i>N</i>,<i>N</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) dinitrate dihydrate
Liu, T.; Wang, Z.-W.; Wang, Y.-X.; Xie, Z.-P.; Acta Crystallographica Section E 63 (2007) m2198–m2199; doi:10.1107/S1600536807035076

data_2214492
_publ_section_title
;(Dihydroxyglyoxime-\k^2^<i>N</i>,<i>N</i>')bis(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')manganese(II)
 dinitrate dihydrate
;
_journal_coeditor_code           AT2344
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2198
_journal_page_last               m2199
_journal_paper_doi               10.1107/S1600536807035076
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Mn (C12 H8 N2)2 (C2 H4 N2 O4)] (N O3)2, 2H2 O'
_chemical_formula_moiety         'C26 H20 Mn N6 O4 2+, 2(N O3 -), 2(H2 O)'
_chemical_formula_sum            'C26 H24 Mn N8 O12'
_chemical_formula_weight         695.47
_chemical_name_systematic
;
(Dihydroxyglyoxime-\k^2^N,N')bis(1,10-phenanthroline-\
\k^2^<i>N</i>,<i>N</i>')manganese(II) dinitrate dihydrate
;
_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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.228(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.913(2)
_cell_length_b                   11.998(5)
_cell_length_c                   18.131(3)
_cell_measurement_reflns_used    5592
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      25.027
_cell_measurement_theta_min      2.118
_cell_volume                     3008.7(14)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Siemens, 1996)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Bruker APEX II 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  0.0411
_diffrn_reflns_av_sigmaI/netI    0.0889
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            20095
_diffrn_reflns_theta_full        26.70
_diffrn_reflns_theta_max         26.70
_diffrn_reflns_theta_min         2.04
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.516
_exptl_absorpt_correction_T_max  0.9124
_exptl_absorpt_correction_T_min  0.8614
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1428
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.645
_refine_diff_density_min         -0.490
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     444
_refine_ls_number_reflns         6179
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.0996
_refine_ls_R_factor_gt           0.0512
_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^)+(0.0806P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1584
_refine_ls_wR_factor_ref         0.1660
_reflns_number_gt                3132
_reflns_number_total             6179
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            at2344.cif
_cod_data_source_block           I
_cod_original_cell_volume        3008.6(14)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2214492
_cod_database_fobs_code          2214492