<i>catena</i>-Poly[[[(propane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ-oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^:κ^2^<i>O</i>^1'^,<i>O</i>^2'^] monohydrate]
Lee, Clare; Harrison, William T. A.; Acta Crystallographica Section E 63 (2007) m985–m987; doi:10.1107/S1600536807009816

data_2212970
_publ_section_title
;<i>catena</i>-Poly[[[(propane-1,2-diamine-\k^2^<i>N</i>,<i>N</i>')cobalt(II)]-\m-oxalato-\k^2^<i>O</i>^1^,<i>O</i>^2^:\k^2^<i>O</i>^1'^,<i>O</i>^2'^]
 monohydrate]
;
_journal_coeditor_code           NG2226
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m985
_journal_page_last               m987
_journal_paper_doi               10.1107/S1600536807009816
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Co (C2 O4) (C3 H10 N2)], H2 O'
_chemical_formula_moiety         'C5 H10 Co N2 O4, H2 O'
_chemical_formula_sum            'C5 H12 Co N2 O5'
_chemical_formula_weight         239.10
_chemical_name_systematic
;
catena-Poly[[[(propane-1,2-diamine-\k^2^N,N')cobalt(II)]-\m-oxalato-
\k^2^O^1^,O^2^:\k^2^O^1'^,O^2'^] monohydrate]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   'difmap (O-H) and geom (others)'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 92.1000(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.8719(7)
_cell_length_b                   8.9560(6)
_cell_length_c                   9.2620(6)
_cell_measurement_reflns_used    2622
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.87
_cell_measurement_theta_min      2.95
_cell_volume                     901.22(10)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker SMART1000 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  0.0265
_diffrn_reflns_av_sigmaI/netI    0.0358
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7827
_diffrn_reflns_theta_full        30.03
_diffrn_reflns_theta_max         30.03
_diffrn_reflns_theta_min         1.87
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.898
_exptl_absorpt_correction_T_max  0.863
_exptl_absorpt_correction_T_min  0.503
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1999)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.762
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             492
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.404
_refine_diff_density_min         -0.315
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.969
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     143
_refine_ls_number_reflns         2612
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      0.969
_refine_ls_R_factor_all          0.0520
_refine_ls_R_factor_gt           0.0299
_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^)+(0.0362P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0671
_refine_ls_wR_factor_ref         0.0730
_reflns_number_gt                1867
_reflns_number_total             2612
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2226.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2212970
_cod_database_fobs_code          2212970