Anion-driven structures and SMM behavior of dinuclear terbium and ytterbium complexes.
Mandal, Leena; Biswas, Soumava; Cosquer, Goulven; Shen, Yongbing; Yamashita, Masahiro; Dalton transactions (Cambridge, England : 2003) 47 (2018) 17493–17499; doi:10.1039/c8dt04049d

data_7048171
_publ_section_title
;
 Anion-driven structures and SMM behavior of dinuclear terbium and
 ytterbium complexes.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17493
_journal_page_last               17499
_journal_paper_doi               10.1039/c8dt04049d
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C44 H48 Cl6 N4 O6 Yb2'
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_audit_update_record
;
2018-11-13 deposited with the CCDC.
2018-11-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
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'CrystalClear (Rigaku Inc., 2008), SORTAV (Blessing, 1995)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SIR92 (Altomare et al, 1994)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku Saturn 724+'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            Yellow
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_refine_ls_R_factor_gt           0.0575
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0800P)^2^+0.0100P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1350
_refine_ls_wR_factor_ref         0.1602
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3199
_reflns_number_total             4527
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt04049d2.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7048169--7048173.cif.
;
_cod_database_code               7048171
_shelx_shelxl_version_number     2014/7
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_shelx_estimated_absorpt_t_max   0.810
_shelx_res_checksum              18215