Stoichiometric control: 8- and 10-coordinate Ln(hfac)<sub>3</sub>(bpy) and Ln(hfac)<sub>3</sub>(bpy)<sub>2</sub> complexes of the early lanthanides La-Sm.
Fatila, Elisabeth M.; Maahs, Adam C.; Hetherington, Erin E.; Cooper, Brandon J.; Cooper, Riley E.; Daanen, Nick N.; Jennings, Michael; Skrabalak, Sara E.; Preuss, Kathryn E.; Dalton transactions (Cambridge, England : 2003) 47 (2018) 16232–16241; doi:10.1039/c8dt03286f

data_7047852
_publ_section_title
;
 Stoichiometric control: 8- and 10-coordinate Ln(hfac)<sub>3</sub>(bpy)
 and Ln(hfac)<sub>3</sub>(bpy)<sub>2</sub> complexes of the early
 lanthanides La-Sm.
;
_journal_issue                   45
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16232
_journal_page_last               16241
_journal_paper_doi               10.1039/c8dt03286f
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C35 H19 F18 N4 Nd O6'
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
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;
2018-10-07 deposited with the CCDC.
2018-10-22 downloaded from the CCDC.
;
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_cell_length_a                   21.7670(2)
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_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.8 (release 07-03-2011 CrysAlis171 .NET)
(compiled Mar  7 2011,18:06:32)
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.8 (release 07-03-2011 CrysAlis171 .NET)
(compiled Mar  7 2011,18:06:32)
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_computing_data_reduction
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.8 (release 07-03-2011 CrysAlis171 .NET)
(compiled Mar  7 2011,18:06:32)
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_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0088
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.8 (release 07-03-2011 CrysAlis171 .NET)
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Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.769
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2108
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'Re-crystallisation from solvent: toluene/hexanes'
_exptl_crystal_size_max          0.400
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_exptl_crystal_size_min          0.200
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_refine_ls_number_reflns         3573
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_refine_ls_R_factor_all          0.0238
_refine_ls_R_factor_gt           0.0232
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0271P)^2^+11.5700P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0573
_refine_ls_wR_factor_ref         0.0579
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3488
_reflns_number_total             3573
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt03286f2.cif
_cod_data_source_block           two
_cod_depositor_comments
'Adding full bibliography for 7047848--7047856.cif.'
_cod_database_code               7047852
_shelx_shelxl_version_number     2018/3
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