A homochiral coordination polymer of cobalt(II) and <small>L</small>-serine
Dzesse T., Christelle N.; Majoumo-Mbe, Felicite; Nfor, Emmanuel N.; Bourne, Susan A.; Acta Crystallographica Section C 77 (2021) 764–769; doi:10.1107/S2053229621011347

data_2022500
_publ_section_title
;
 A homochiral coordination polymer of cobalt(II) and
 <small>L</small>-serine
;
_journal_coeditor_code           OP3014
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              764
_journal_page_last               769
_journal_paper_doi               10.1107/S2053229621011347
_journal_volume                  77
_journal_year                    2021
_chemical_absolute_configuration rm
_chemical_formula_iupac          '[Co (C3 H6 N1 O3)2]'
_chemical_formula_moiety         'C6 H12 Co N2 O6'
_chemical_formula_sum            'C6 H12 Co N2 O6'
_chemical_formula_weight         267.11
_chemical_name_systematic
<i>catena</i>-Poly[[[(<i>S</i>)-2-amino-3-hydroxypropanoato-\k^2^<i>N</i>,<i>O</i>^1^]cobalt(II)]-\m-(<i>S</i>)-2-amino-3-hydroxypropanoato-\k^4^<i>O</i>^1^,<i>O</i>^3^:<i>N</i>,<i>O</i>^1'^]
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2017/1
_cell_angle_alpha                90
_cell_angle_beta                 100.3110(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.5666(4)
_cell_length_b                   8.7105(6)
_cell_length_c                   9.8314(7)
_cell_measurement_reflns_used    11159
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.41
_cell_measurement_theta_min      2.10
_cell_volume                     469.01(6)
_computing_cell_refinement
;
SAINT (Bruker, 2017)
;
_computing_data_collection
;
APEX3 (Bruker, 2018)
;
_computing_data_reduction
;
SAINT (Bruker 2017)
;
_computing_molecular_graphics
;
X-SEED (Barbour, 2020)
;
_computing_publication_material
;
SHELXL2017 (Sheldrick, 2015)
;
_computing_structure_refinement
;
SHELXL2017 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS2017 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Kappa DUO APEXII'
_diffrn_measurement_method       '1.2\%\f scans and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0338
_diffrn_reflns_av_unetI/netI     0.0274
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            11159
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.411
_diffrn_reflns_theta_min         2.105
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.842
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Krause <i>et al.</i>, 2015)
;
_exptl_crystal_colour            'red purple'
_exptl_crystal_density_diffrn    1.891
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             274
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.228
_refine_diff_density_min         -0.200
_refine_ls_abs_structure_details
;
Flack <i>x</i> determined using 1028 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons <i>et al.</i>,  2013)
;
_refine_ls_abs_structure_Flack   -0.001(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     140
_refine_ls_number_reflns         2353
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0217
_refine_ls_R_factor_gt           0.0210
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0277P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0474
_refine_ls_wR_factor_ref         0.0477
_reflns_number_gt                2293
_reflns_number_total             2353
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            op3014sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2022500
_shelx_estimated_absorpt_t_min   0.666
_shelx_estimated_absorpt_t_max   0.687
_shelx_hkl_checksum              95411
_shelx_res_checksum              31282
_cod_database_fobs_code 2022500