Structure of dipotassium <i>trans</i>-diaquabis(oxalato-<i>O</i>,<i>O</i>')nickelate(II)–water (1/4)
Román, P.; Guzmán-Miralles, C.; Luque, A.; Acta Crystallographica Section C 49 (1993) 1336–1339; doi:10.1107/S0108270193000940

data_2001528
_publ_section_title
;
 Structure of dipotassium
 <i>trans</i>-diaquabis(oxalato-<i>O</i>,<i>O</i>')nickelate(II)--water
 (1/4)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1336
_journal_page_last               1339
_journal_paper_doi               10.1107/S0108270193000940
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C4 H12 K2 Ni O14'
_chemical_formula_weight         421.028
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 101.580(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.647(6)
_cell_length_b                   6.627(2)
_cell_length_c                   12.118(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      14
_cell_measurement_theta_min      4
_cell_volume                     680.3(5)
_diffrn_measurement_device       CAD-4
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0208
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            6256
_diffrn_reflns_theta_max         35
_diffrn_standards_decay_%        <2
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    2.112
_exptl_absorpt_correction_T_max  1.103
_exptl_absorpt_correction_T_min  0.818
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    2.05
_exptl_crystal_density_meas      2.040(10)
_exptl_crystal_density_method    'flotation in CHBr~3~/CCl~4~'
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.60
_refine_diff_density_min         -0.68
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.69
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     121
_refine_ls_number_reflns         1846
_refine_ls_R_factor_obs          0.027
_refine_ls_shift/esd_max         0.43
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      'Weighting scheme: see below'
_refine_ls_wR_factor_obs         0.030
_reflns_number_observed          1846
_reflns_number_total             3011
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ab1046.cif
_cod_data_source_block           ab1046_structure_1_of_1
_cod_original_formula_sum        'C4 H12 K2 Ni1 O14'
_cod_database_code               2001528