Structure of an erbium complex with <small>L</small>-proline
Hu, N.-H.; Wang, Z.-L.; Niu, C.-J.; Ni, J.-Z.; Acta Crystallographica Section C 49 (1993) 2086–2089; doi:10.1107/S0108270193005311

data_2001143
_publ_section_title
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 Structure of an erbium complex with <small>L</small>-proline
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_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2086
_journal_page_last               2089
_journal_paper_doi               10.1107/S0108270193005311
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C30 H66 Cl6 Er2 N6 O42'
_chemical_formula_weight         1730.11
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
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_atom_type_scat_source           IntTabIV
_cell_angle_alpha                110.26(2)
_cell_angle_beta                 100.94(2)
_cell_angle_gamma                109.35(2)
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_cell_length_a                   13.003(3)
_cell_length_b                   13.639(4)
_cell_length_c                   9.861(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294
_cell_measurement_theta_max      14.2
_cell_measurement_theta_min      2.5
_cell_volume                     1453.5(8)
_diffrn_measurement_device       'Nicolet R3m/E'
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_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.011
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            4789
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        3.3
_diffrn_standards_interval_count 69
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    3.36
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_exptl_absorpt_correction_T_min  0.888
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'Light pink'
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_exptl_crystal_description       Columnar
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_exptl_crystal_size_mid          0.32
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_refine_ls_number_reflns         4642
_refine_ls_R_factor_obs          0.024
_refine_ls_shift/esd_max         0.31
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/[\s^2^(F~o~)+0.0002F~o~^2^]
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.028
_reflns_number_observed          4642
_reflns_number_total             4779
_reflns_observed_criterion       F~o~>3\s(F~o~)
_cod_data_source_file            oh1031.cif
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_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w=1/[\s^2^(F~o~)+0.0002F~o~^2^]'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(F~o~)+0.0002F~o~^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        1453.5(6)
_cod_database_code               2001143