Structure and magnetic ordering of KxH1-xNi(OH2)4[Ru2(CO3)4].zH2O.
Kennon, Bretni S.; Her, Jae-Hyuk; Stephens, Peter W.; Shum, William W.; Miller, Joel S.; Inorganic chemistry 46 (2007) 9033–9035; doi:10.1021/ic701318q

data_4338993
_publ_section_title
;
 Structure and magnetic ordering of KxH1-xNi(OH2)4[Ru2(CO3)4].zH2O.
;
_journal_issue                   22
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9033
_journal_page_last               9035
_journal_paper_doi               10.1021/ic701318q
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'C4 H8 Ni O16 Ru2 solvent'
_chemical_formula_structural     'Ni [Ru2 (CO3)]4 4(H2 O) solvent'
_chemical_formula_sum            'C4 H8 Ni O16 Ru2 en lv so t'
_chemical_name_systematic
;
Nickel diruthenium(II,III) tetracarbonate
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           56
_space_group_name_H-M_alt        'P c c n'
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.1943(3)
_cell_length_b                   9.3573(1)
_cell_length_c                   10.0465(1)
_cell_measurement_temperature    300
_cell_volume                     1710.41(4)
_computing_cell_refinement       TOPAS-Academic
_computing_data_collection       SPEC
_computing_data_reduction        TOPAS-Academic
_computing_structure_refinement  TOPAS-Academic
_computing_structure_solution    TOPAS-Academic
_diffrn_ambient_temperature      300
_diffrn_detector                 'NaI scintillation counter'
_diffrn_measurement_device_type  'Huber diffractometer'
_diffrn_radiation_monochromator  'Si(111) channel cut'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     .696677
_diffrn_source                   synchrotron
_exptl_absorpt_coefficient_mu    17.7884
_exptl_absorpt_correction_type   none
_pd_block_diffractogram_id       C4H8NiO16Ru2-profile
_pd_char_colour                  red-brown
_pd_instr_location
;
X16C, National Synchrotron Light Source, Brookhaven National Laboratory
;
_pd_meas_2theta_range_inc        .005
_pd_meas_2theta_range_max        52.000
_pd_meas_2theta_range_min        2.000
_pd_meas_number_of_points        10001
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.005
_pd_proc_2theta_range_max        52.0
_pd_proc_2theta_range_min        2.0
_pd_proc_ls_background_function
;
Chebyshev polynomial with 16 coefficients
;
_pd_proc_ls_pref_orient_corr
;
none
;
_pd_proc_ls_profile_function
;
Simple_Axial_model function with Rp=9999,Rs=330 in TOPAS-Academic
;
_pd_proc_ls_prof_R_factor        0.053
_pd_proc_ls_prof_wR_expected     0.033
_pd_proc_ls_prof_wR_factor       0.066
_pd_proc_wavelength              .696677
_pd_spec_mounting
;
capillary
;
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   2.017
_refine_ls_hydrogen_treatment    undef
_refine_ls_number_parameters     68
_refine_ls_R_I_factor            0.026
_refine_ls_shift/su_max          <.001
_refine_ls_weighting_details     1/(sigma*sigma)
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            ic701318q-file002.cif
_cod_data_source_block           C4H8NiO16Ru2
_cod_original_cell_volume        1710.4(1)
_cod_original_formula_sum        'C4 H8 Ni O16 Ru2 solvent'
_cod_database_code               4338993