Ba~2~ErCl~7~
Tsuchiya, S.; Hanaue, Y.; Kimura, E.; Ishizawa, N.; Acta Crystallographica Section C 53 (1997) 1180–1181; doi:10.1107/S0108270197004502

data_2006541
_publ_section_title
;
 Ba~2~ErCl~7~
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1180
_journal_page_last               1181
_journal_paper_doi               10.1107/S0108270197004502
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'Ba2 Cl7 Er'
_chemical_formula_weight         690.09
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_method           from_xtal_archive_file_using_CIFIO
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.48(5)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   10.500(5)
_cell_length_b                   15.507(4)
_cell_length_c                   6.804(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    300
_cell_measurement_theta_max      25.02
_cell_measurement_theta_min      23.31
_cell_volume                     1107.8(9)
_computing_data_reduction
Xtal3.4_ADDREF_SORTRF_(Hall,_King_&_Stewart,_1995)
_computing_molecular_graphics    xtal3.4
_computing_publication_material  Xtal3.4_BONDLA_CIFIO
_computing_structure_refinement  xtal3.4_CRYLSQ
_computing_structure_solution    Xtal3.4_GENTAN
_diffrn_ambient_temperature      300
_diffrn_measurement_device       'Rigaku AFC-5R'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         12kW_Rigaku_rotating
_diffrn_radiation_type           Mo_K\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  .09
_diffrn_reflns_av_sigmaI/netI    .063
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            12921
_diffrn_reflns_theta_max         35
_diffrn_reflns_theta_min         2.63
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 150
_diffrn_standards_number         4
_exptl_absorpt_coefficient_mu    16.16
_exptl_absorpt_correction_T_max  0.0485
_exptl_absorpt_correction_T_min  0.0200
_exptl_absorpt_correction_type   'refdelf (Walker & Stuart, 1983)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    4.138
_exptl_crystal_density_method    none
_exptl_crystal_description       'irregular shape'
_exptl_crystal_F_000             1196
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.41
_refine_diff_density_max         1.666
_refine_diff_density_min         -2.752
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.442
_refine_ls_goodness_of_fit_obs   1.527
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     91
_refine_ls_number_reflns         2760
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .047
_refine_ls_R_factor_obs          .032
_refine_ls_shift/esd_max         .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         .03
_refine_ls_wR_factor_obs         .029
_reflns_number_observed          2760
_reflns_number_total             3193
_reflns_observed_criterion       refl_observed_if_F____>3.000_sigma(F___)
_cod_data_source_file            ta1137.cif
_cod_data_source_block           d
_cod_original_sg_symbol_Hall     '-P 2yab '
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'Ba2 Cl7 Er1'
_cod_database_code               2006541