<i>catena</i>-Poly[[[aqua(glycine-κ<i>O</i>)lithium]-μ-glycine-κ^2^<i>O</i>:<i>O</i>'] bromide]
Balakrishnan, T.; Ramamurthi, K.; Jeyakanthan, J.; Thamotharan, S.; Acta Crystallographica Section E 69 (2013) m60–m61; doi:10.1107/S1600536812050660

data_2237103
_publ_section_title
;
 <i>catena</i>-Poly[[[aqua(glycine-\k<i>O</i>)lithium]-\m-glycine-\k^2^<i>O</i>:<i>O</i>']
 bromide]
;
_journal_coeditor_code           AA2077
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m60
_journal_page_last               m61
_journal_paper_doi               10.1107/S1600536812050660
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Li (C2 H5 N O2)2 (H2 O)] Br'
_chemical_formula_moiety         'C4 H12 Li N2 O5 +, Br -'
_chemical_formula_sum            'C4 H12 Br Li N2 O5'
_chemical_formula_weight         255.01
_chemical_name_systematic
;
<i>catena</i>-Poly[[[aqua(glycine-\k<i>O</i>)lithium]-\m-glycine-
\k^2^<i>O</i>:<i>O</i>'] bromide]
;
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 118.138(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.5396(6)
_cell_length_b                   17.4173(14)
_cell_length_c                   8.2726(12)
_cell_measurement_reflns_used    7161
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      2.25
_cell_volume                     957.96(19)
_computing_cell_refinement       'CELL in IPDS (Stoe & Cie, 2000)'
_computing_data_collection       'EXPOSE in IPDS (Stoe & Cie, 2000)'
_computing_data_reduction        'INTEGRATE in IPDS (Stoe & Cie, 2000)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'STOE IPDS'
_diffrn_measurement_method       'phi rotation'
_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  0.0432
_diffrn_reflns_av_sigmaI/netI    0.0314
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            7515
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.34
_exptl_absorpt_coefficient_mu    4.283
_exptl_absorpt_correction_T_max  0.2768
_exptl_absorpt_correction_T_min  0.2167
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>MULscanABS</i> in PLATON; Spek, 2009)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.768
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             512
_exptl_crystal_size_max          0.61
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.547
_refine_diff_density_min         -0.258
_refine_ls_extinction_coef       0.0097(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     151
_refine_ls_number_reflns         1847
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.961
_refine_ls_R_factor_all          0.0286
_refine_ls_R_factor_gt           0.0210
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0317P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0497
_refine_ls_wR_factor_ref         0.0512
_reflns_number_gt                1520
_reflns_number_total             1847
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            aa2077.cif
_cod_data_source_block           I
_cod_original_cell_volume        957.96(18)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2237103
_cod_database_fobs_code          2237103