Racemic dipotassium di-μ~2~-hydroxido-bis{[<i>N</i>,<i>N</i>-bis(carboxylatomethyl)leucinato-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'']cobaltate(III)} tetrahydrate
Visser, Hendrik G.; Purcell, Walter; Muller, Alfred; Janse van Rensburg, J. Marthinus; Molosia, Phillip; Acta Crystallographica Section E 63 (2007) m2998–m2999; doi:10.1107/S1600536807056437

data_2216683
_publ_section_title
;Racemic dipotassium
 di-\m~2~-hydroxido-bis{[<i>N</i>,<i>N</i>-bis(carboxylatomethyl)leucinato-\k^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'']cobaltate(III)}
 tetrahydrate
;
_journal_coeditor_code           NG2364
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2998
_journal_page_last               m2999
_journal_paper_doi               10.1107/S1600536807056437
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'K2 [Co2 (C10 H13 N O6)2 (O H)2]'
_chemical_formula_moiety         '2(K +), C20 H28 N2 O14 Co 2-, 4(H2 O)'
_chemical_formula_sum            'C20 H36 Co2 K2 N2 O18'
_chemical_formula_weight         788.56
_chemical_name_systematic
;
dipotassium di-\m~2~-hydroxido-bis{[<i>N</i>,<i>N</i>-
bis(carboxylatomethyl)leucinato-
\k^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'']cobaltate(III)} tetrahydrate
;
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.968(5)
_cell_length_b                   25.868(5)
_cell_length_c                   9.240(5)
_cell_measurement_reflns_used    1747
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.13
_cell_measurement_theta_min      2.71
_cell_volume                     3100(2)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT-Plus and XPREP (Bruker, 2004)'
_computing_molecular_graphics    'ORTEP3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 512
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type
;
Bruker Kappa APEXII
;
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0597
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            8534
_diffrn_reflns_theta_full        28.4
_diffrn_reflns_theta_max         28.4
_diffrn_reflns_theta_min         2.82
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.419
_exptl_absorpt_correction_T_max  0.9694
_exptl_absorpt_correction_T_min  0.7216
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2004)
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.69
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1624
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.626
_refine_diff_density_min         -0.658
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.238
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     134
_refine_ls_number_reflns         2015
_refine_ls_number_restraints     33
_refine_ls_restrained_S_all      1.233
_refine_ls_R_factor_gt           0.0542
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0203P)^2^+25.1765P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1334
_reflns_number_gt                1700
_reflns_number_total             2015
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ng2364.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     '-C 2bc 2'
_cod_database_code               2216683
_cod_database_fobs_code          2216683