Dichlorobis(<small>DL</small>-valine)zinc(II)
M. Subha Nandhini; R. V. Krishnakumar; S. Natarajan; Acta Crystallographica Section E 57 (2001) m498–m500; doi:10.1107/S1600536801016099

data_2200663
_publ_section_title
;
 Dichlorobis(<small>DL</small>-valine)zinc(II)
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m498
_journal_page_last               m500
_journal_paper_doi               10.1107/S1600536801016099
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Zn Cl2 (C5 H11 N O2)2]'
_chemical_formula_moiety         'C10 H22 Cl2 N2 O4 Zn'
_chemical_formula_sum            'C10 H22 Cl2 N2 O4 Zn'
_chemical_formula_weight         370.57
_chemical_name_common            Dichlorobis(DL-valine)zinc(II)
_chemical_name_systematic
;
Dichlorobis(DL-valine)zinc(II)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 103.02(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.997(2)
_cell_length_b                   6.2259(10)
_cell_length_c                   13.5028(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27
_cell_measurement_theta_min      15
_cell_volume                     1637.9(4)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'CAD-4 Software'
_computing_molecular_graphics    'PLATON (Spek, 1999)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full .480
_diffrn_measured_fraction_theta_max .480
_diffrn_measurement_device_type  'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  .0475
_diffrn_reflns_av_sigmaI/netI    .0098
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            1526
_diffrn_reflns_theta_full        67.89
_diffrn_reflns_theta_max         67.89
_diffrn_reflns_theta_min         4.54
_diffrn_standards_decay_%        <2
_diffrn_standards_interval_count 100
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    5.189
_exptl_absorpt_correction_T_max  .60
_exptl_absorpt_correction_T_min  .40
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.503
_exptl_crystal_density_meas      1.52
_exptl_crystal_density_method
'flotation in a mixture of xylene and bromoform'
_exptl_crystal_description       plates
_exptl_crystal_F_000             768
_exptl_crystal_size_max          .24
_exptl_crystal_size_mid          .18
_exptl_crystal_size_min          .10
_refine_diff_density_max         1.062
_refine_diff_density_min         -.893
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     87
_refine_ls_number_reflns         1435
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          .0533
_refine_ls_R_factor_gt           .0527
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.1048P)^2^+1.3333P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .1372
_reflns_number_gt                1394
_reflns_number_total             1435
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv6062.cif
_cod_data_source_block           I
_cod_original_cell_volume        1637.9(3)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2200663
_cod_database_fobs_code          2200663