Chloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) chlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)manganate(II) methanol monosolvate
Buvailo, Halyna I.; Rusanova, Julia A.; Makhankova, Valeriya G.; Kokozay, Vladimir N.; Zubatyuk, Roman I.; Acta Crystallographica Section E 70 (2014) m147–m148; doi:10.1107/S1600536814006369

data_2239265
_publ_section_title
;
 Chloridobis(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')copper(II)
 chlorido(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')(pyridine-2,6-dicarboxylato-\k^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)manganate(II)
 methanol monosolvate
;
_journal_coeditor_code           BR2237
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m147
_journal_page_last               m148
_journal_paper_doi               10.1107/S1600536814006369
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac
'[Cu Cl (C12 H8 N2)2] [Mn Cl (C7 H3 N O4) Cl (C12 H8 N2)], C H4 O'
_chemical_formula_moiety
'C24 H16 Cl Cu N4 +, C19 H11 Cl Mn N3 O4 -, C H4 O'
_chemical_formula_sum            'C44 H31 Cl2 Cu Mn N7 O5'
_chemical_formula_weight         927.14
_chemical_name_systematic
;Chloridobis(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')copper(II)
chlorido(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')(pyridine-2,6-dicarboxylato-\k^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)manganate(II)
methanol monosolvate
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method
;
Olex2 1.2
(compiled 2014.02.28 svn.r2899 for OlexSys, GUI svn.r4781)
;
_cell_angle_alpha                72.966(3)
_cell_angle_beta                 74.709(3)
_cell_angle_gamma                89.262(3)
_cell_formula_units_Z            2
_cell_length_a                   10.3680(4)
_cell_length_b                   12.5332(4)
_cell_length_c                   17.2709(6)
_cell_measurement_reflns_used    6590
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.1560
_cell_measurement_theta_min      2.4300
_cell_volume                     2064.79(13)
_computing_cell_refinement
;
CrysAlis PRO (Oxford Diffraction, 2010)
;
_computing_data_collection
;
CrysAlis PRO (Oxford Diffraction, 2010)
;
_computing_data_reduction
;
CrysAlis PRO (Oxford Diffraction, 2010)
;
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'OLEX2 (Dolomanov <i>et al.</i>, 2009)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.1827
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur Sapphire3'
_diffrn_measurement_method       '\w and \p scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0395
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            35601
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.000
_diffrn_reflns_theta_min         2.041
_exptl_absorpt_coefficient_mu    1.006
_exptl_absorpt_correction_T_max  0.918
_exptl_absorpt_correction_T_min  0.837
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(Clark & Reid, 1995)'
_exptl_crystal_colour            'clear light green'
_exptl_crystal_density_diffrn    1.491
_exptl_crystal_description       block
_exptl_crystal_F_000             944
_exptl_crystal_size_max          0.2543
_exptl_crystal_size_mid          0.1932
_exptl_crystal_size_min          0.1102
_refine_diff_density_max         0.441
_refine_diff_density_min         -0.512
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     543
_refine_ls_number_reflns         9973
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0790
_refine_ls_R_factor_gt           0.0489
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0706P)^2^+0.2578P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1277
_refine_ls_wR_factor_ref         0.1398
_reflns_number_gt                6764
_reflns_number_total             9973
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            br2237sup1.cf
_cod_data_source_block           I
_cod_original_cell_volume        2064.78(13)
_cod_database_code               2239265
_cod_database_fobs_code          2239265
_shelxl_version_number           .2013