The synthesis of complex compounds of metals with b-alanine
N.N. Golovnev; A.D. Vasiliev; M.S. Molokeev; G.V. Novikova; M.V. Sergeeva; Vestnik KrasSU 2 (2004) 14–19; doi:

data_1529388
_publ_section_title
;
 The synthesis of complex compounds of metals with b-alanine
;
_journal_issue                   0
_journal_name_full               'Vestnik KrasSU'
_journal_page_first              14
_journal_page_last               19
_journal_volume                  2
_journal_year                    2004
_chemical_formula_sum            'C3 H6 N2 O5 Pb0.5'
_chemical_formula_weight         253.69
_space_group_crystal_system      orthorhombic
_space_group_IT_number           56
_space_group_name_Hall           '-P 2ab 2ac'
_space_group_name_H-M_alt        'P c c n'
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.5528(7)
_cell_length_b                   18.049(2)
_cell_length_c                   8.8422(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1365.0(2)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.870
_diffrn_measured_fraction_theta_max 0.870
_diffrn_radiation_wavelength     0.70926
_diffrn_reflns_av_unetI/netI     0.0510
_diffrn_reflns_Laue_measured_fraction_full 0.870
_diffrn_reflns_Laue_measured_fraction_max 0.870
_diffrn_reflns_number            1054
_diffrn_reflns_point_group_measured_fraction_full 0.870
_diffrn_reflns_point_group_measured_fraction_max 0.870
_diffrn_reflns_theta_full        24.988
_diffrn_reflns_theta_max         24.988
_diffrn_reflns_theta_min         2.252
_exptl_absorpt_coefficient_mu    12.419
_exptl_crystal_density_diffrn    2.469
_exptl_crystal_F_000             952
_refine_diff_density_max         3.193
_refine_diff_density_min         -2.681
_refine_diff_density_rms         0.269
_refine_ls_extinction_coef       0.0041(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     100
_refine_ls_number_reflns         1054
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0967
_refine_ls_R_factor_gt           0.0425
_refine_ls_shift/su_max          0.507
_refine_ls_shift/su_mean         0.021
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0552P)^2^+48.0566P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1215
_refine_ls_wR_factor_ref         0.1345
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                590
_reflns_number_total             1054
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            C3H6N2O5Pb0p5.cif
_cod_data_source_block           a
_cod_original_formula_sum        'C3 H6 N2 O5 Pb0.50'
_cod_database_code               1529388
_cod_database_fobs_code          1529388
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              10013
_shelx_hkl_checksum              88833