Bis[(<i>R</i>)-1-phenylethylaminium] μ-oxalato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>''<i>O</i>'''-bis[diaqua(oxalato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II)]
Xin Yang; Jiang Li; Hai-Wen Wang; Xin-Hua Zhao; Yong-Kui Shan; Acta Crystallographica Section E 63 (2007) m1554–m1554; doi:10.1107/S1600536807020016

data_2213843
_publ_section_title
;Bis[(<i>R</i>)-1-phenylethylaminium]
 \m-oxalato-\k^4^<i>O</i>,<i>O</i>':<i>O</i>''<i>O</i>'''-bis[diaqua(oxalato-\k^2^<i>O</i>,<i>O</i>')cobaltate(II)]
;
_journal_coeditor_code           HY2056
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1554
_journal_page_last               m1554
_journal_paper_doi               10.1107/S1600536807020016
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '(C8 H12 N)2 [Co2 (C2 O4)3 (H2 O)4]'
_chemical_formula_moiety         '2(C8 H12 N +), C6 H8 Co2 O16 2-'
_chemical_formula_sum            'C22 H32 Co2 N2 O16'
_chemical_formula_weight         698.36
_chemical_name_systematic
;
(R)-1-Phenylethylaminium
\m-oxalato-\k^4^O,O':O''O'''-bis[diaqua(oxalato-\k^2^O,O')cobalt(II)]
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.33(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.973(2)
_cell_length_b                   7.5560(15)
_cell_length_c                   17.067(3)
_cell_measurement_reflns_used    4453
_cell_measurement_temperature    296
_cell_measurement_theta_max      27.10
_cell_measurement_theta_min      1.19
_cell_volume                     1415.0(5)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 2001)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Siemens Quantum CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0199
_diffrn_reflns_av_sigmaI/netI    0.0391
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            3658
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.19
_exptl_absorpt_coefficient_mu    1.251
_exptl_absorpt_correction_T_max  0
_exptl_absorpt_correction_T_min  0
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.639
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             720
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.446
_refine_diff_density_min         -0.519
_refine_ls_abs_structure_details 'Flack (1983), 850 Fridel pairs'
_refine_ls_abs_structure_Flack   0.11(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.128
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     193
_refine_ls_number_reflns         2268
_refine_ls_number_restraints     38
_refine_ls_restrained_S_all      1.158
_refine_ls_R_factor_all          0.0460
_refine_ls_R_factor_gt           0.0330
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0589P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0829
_refine_ls_wR_factor_ref         0.1023
_reflns_number_gt                1938
_reflns_number_total             2268
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2056.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               2213843
_cod_database_fobs_code          2213843