(BMI)3LnCl6 Crystals as Models for the Coordination Environment of LnCl3 (Ln = Sm, Eu, Dy, Er, Yb) in 1-Butyl-3-methylimidazolium Chloride Ionic-Liquid Solution.
Han, Yulun; Lin, Cuikun; Meng, Qingguo; Dai, Fengrong; Sykes, Andrew G.; Berry, Mary T.; May, P. Stanley; Inorganic chemistry 53 (2014) 5494–5501; doi:10.1021/ic500101x

data_4338491
_publ_section_title
;
 (BMI)3LnCl6 Crystals as Models for the Coordination Environment of LnCl3
 (Ln = Sm, Eu, Dy, Er, Yb) in 1-Butyl-3-methylimidazolium Chloride
 Ionic-Liquid Solution.
;
_journal_issue                   11
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5494
_journal_page_last               5501
_journal_paper_doi               10.1021/ic500101x
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C24 H45 Cl6 Dy N6'
_chemical_formula_weight         792.86
_chemical_name_systematic
;
 ?
;
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_cell_length_a                   9.7013(6)
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_cell_length_c                   33.394(2)
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_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      2.40
_cell_volume                     3390.2(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_k_min       -12
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_diffrn_reflns_limit_l_min       -40
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_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    2.701
_exptl_absorpt_correction_T_max  0.4980
_exptl_absorpt_correction_T_min  0.4980
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
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_exptl_crystal_density_meas      ?
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_exptl_crystal_description       block
_exptl_crystal_F_000             1596
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_refine_ls_R_factor_all          0.0230
_refine_ls_R_factor_gt           0.0225
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0184P)^2^+10.4678P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0543
_refine_ls_wR_factor_ref         0.0545
_reflns_number_gt                6170
_reflns_number_total             6246
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_cod_data_source_file            ic500101x_si_002.cif
_cod_data_source_block           12029
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4338489--4338493.cif.

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P2(1)/c  '
_cod_database_code               4338491