Bis(μ~2~-dihydrogen phosphato-κ^2^<i>O</i>:<i>O</i>')(μ~2~-hydrogen phosphato-κ^2^<i>O</i>:<i>O</i>')bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)]
Huan-Xin Liu; Xiao Jiang; Yun-xiao Liang; Acta Crystallographica Section E 63 (2007) m1472–m1472; doi:10.1107/S1600536807019332

data_2213418
_publ_section_title
;Bis(\m~2~-dihydrogen phosphato-\k^2^<i>O</i>:<i>O</i>')(\m~2~-hydrogen
 phosphato-\k^2^<i>O</i>:<i>O</i>')bis[(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')manganese(II)]
;
_journal_coeditor_code           IM2010
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1472
_journal_page_last               m1472
_journal_paper_doi               10.1107/S1600536807019332
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Mn2 (C12 H8 N2)2 (H1.5 P O4)2 (H2 P O4)]'
_chemical_formula_moiety         'C24 H21 Mn2 N4 O12 P3'
_chemical_formula_sum            'C24 H21 Mn2 N4 O12 P3'
_chemical_formula_weight         760.24
_chemical_name_systematic
;
Bis(\m~2~-dihydrogen phosphato-\k^2^O:O')(\m~2~-hydrogen
phosphate-\k^2^O:O')bis[(1,10-phenanthroline-\k^2^N,N')manganese(II)]
;
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   40.837(8)
_cell_length_b                   7.457(2)
_cell_length_c                   17.424(4)
_cell_measurement_reflns_used    12033
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      3.00
_cell_volume                     5306(2)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'ORTEPII (Johnson,1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R AXIS RAPID IP'
_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  0.0208
_diffrn_reflns_av_sigmaI/netI    0.0254
_diffrn_reflns_limit_h_max       52
_diffrn_reflns_limit_h_min       -52
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            11691
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.01
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.210
_exptl_absorpt_correction_T_max  0.785
_exptl_absorpt_correction_T_min  0.781
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.903
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3072
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.335
_refine_diff_density_min         -0.325
_refine_ls_abs_structure_details 'Flack (1983)'
_refine_ls_abs_structure_Flack   -0.001(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.146
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     212
_refine_ls_number_reflns         2965
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.146
_refine_ls_R_factor_all          0.0215
_refine_ls_R_factor_gt           0.0208
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0237P)^2^+5.2948P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0497
_refine_ls_wR_factor_ref         0.0498
_reflns_number_gt                2889
_reflns_number_total             2965
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            im2010.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     F2-2d
_cod_database_code               2213418
_cod_database_fobs_code          2213418