Structural rearrangement through lanthanide contraction in dinuclear complexes.
Hutchings, Amy-Jayne; Habib, Fatemah; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee; Inorganic chemistry 53 (2014) 2102–2112; doi:10.1021/ic402682r

data_4337273
_publ_section_title
;
 Structural rearrangement through lanthanide contraction in dinuclear
 complexes.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2102
_journal_page_last               2112
_journal_paper_doi               10.1021/ic402682r
_journal_volume                  53
_journal_year                    2014
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_computing_publication_material  'SHELXTL, Bruker (2004)'
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_diffrn_ambient_temperature      200(2)
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_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_exptl_absorpt_correction_T_max  0.7635
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_density_meas      ?
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0575P)^2^+4.7665P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0896
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_cod_data_source_file            ic402682r_si_014.cif
_cod_data_source_block           mm185_5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/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 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'n/a' 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_cell_volume        2922.38(10)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C50.50 H41.50 Ho2 N9.50 O9 S3'
_cod_database_code               4337273