Series of 2D Heterometallic Coordination Polymers Based on Ruthenium(III) Oxalate Building Units: Synthesis, Structure, and Catalytic and Magnetic Properties
Alla Dikhtiarenko; Sergei A. Khainakov; Imanol de Pedro; Jesús A. Blanco; José R. García; José Gimeno; Inorganic Chemistry 52 (2013) 3933–3941; doi:10.1021/ic302725v

data_4334335
_publ_contact_author_address
;
Departamentos de Qu\'imica Org\'anica y Inorg\'anica 
Universidad de Oviedo
Juli\'an Claver\'ia 8, 33006  
Oviedo, Spain 
;
_publ_contact_author_email       dikhtiarenkoalla@uniovi.es
_publ_contact_author_fax         0034985103446
_publ_contact_author_name        'Dikhtiarenko, Alla'
_publ_contact_author_phone       0034985105753
_publ_section_title
;
 Series of 2D Heterometallic Coordination Polymers Based on Ruthenium(III)
 Oxalate Building Units: Synthesis, Structure, and Catalytic and Magnetic
 Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3933
_journal_page_last               3941
_journal_paper_doi               10.1021/ic302725v
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C42 H56 K2 Mn3 O52 Ru3, C12 H24 K O6'
_chemical_formula_structural     'C54 H80 K3 Mn3 O58 Ru3'
_chemical_formula_sum            'C54 H80 K3 Mn3 O58 Ru3'
_chemical_formula_weight         2242.51
_chemical_name_systematic
;
catena-(tris((18-crown-6)-potassium) heptakis(m2-oxalato)-tetra-aqua-
bis(oxalato)-tri-ruthenium(III)-tri-manganese(II))
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 115.802(6)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   26.896(4)
_cell_length_b                   19.840(3)
_cell_length_c                   18.129(2)
_cell_measurement_temperature    298(2)
_cell_volume                     8709(2)
_computing_cell_refinement       'Matarials Studio 6.0'
_computing_data_reduction        'Matarials Studio 6.0'
_computing_molecular_graphics    'Matarials Studio 6.0'
_computing_publication_material  'enCIFer (Allen et al., 2004)'
_computing_structure_refinement  'Matarials Studio 6.0'
_computing_structure_solution    'Coordinates taken for single crystal data'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_type            PIXcel
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_source                   'x-ray tube'
_diffrn_source_target            Cu
_exptl_absorpt_coefficient_mu    9.784
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.710
_exptl_crystal_F_000             4528.0
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  yellow
_pd_char_particle_morphology     plate-like
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.013135
_pd_meas_2theta_range_max        47.49100
_pd_meas_2theta_range_min        7.090000
_pd_meas_number_of_points        3078
_pd_proc_2theta_range_inc        0.013135
_pd_proc_2theta_range_max        74.4910
_pd_proc_2theta_range_min        7.0900
_pd_proc_ls_background_function
;
Background 6-coeficient polynomial function
;
_pd_proc_ls_peak_cutoff          0.00500
_pd_proc_ls_pref_orient_corr     -0.2691
_pd_proc_ls_profile_function     Cauchy(Lorentzian)
_pd_proc_ls_prof_R_factor        4.56
_pd_proc_ls_prof_wR_expected     1.13
_pd_proc_ls_prof_wR_factor       5.97
_pd_proc_wavelength              1.540560
_pd_spec_mounting                ' ?'
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1041.856
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     29
_refine_ls_number_reflns         650
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            7.65
_cod_data_source_file            ic302725v_si_002_1.cif
_cod_data_source_block           Compound_1
_cod_original_cell_volume        8710(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4334335