Modifying the donor properties of tris(pyridyl)aluminates in lanthanide(ii) sandwich compounds.
García-Rodríguez, Raúl; Kopf, Sara; Wright, Dominic S.; Dalton transactions (Cambridge, England : 2003) 47 (2018) 2232–2239; doi:10.1039/c7dt04657j

data_7045310
_publ_section_title
;
 Modifying the donor properties of tris(pyridyl)aluminates in
 lanthanide(ii) sandwich compounds.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2232
_journal_page_last               2239
_journal_paper_doi               10.1039/c7dt04657j
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C40 H46 Al2 Eu N6'
_chemical_formula_sum            'C40 H46 Al2 Eu N6'
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_space_group_name_Hall           'P 4nw 2abw'
_space_group_name_H-M_alt        'P 43 21 2'
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
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;
2017-11-24 deposited with the CCDC.
2018-01-16 downloaded from the CCDC.
;
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_computing_cell_refinement       'SAINT (Bruker, 2014)'
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_computing_publication_material  'SHELXL-97 (Sheldrick 1997)'
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_diffrn_reflns_av_unetI/netI     0.0752
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_diffrn_reflns_limit_l_min       -40
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_diffrn_source                   'Incoatec I\mS Cu microsource'
_exptl_absorpt_coefficient_mu    12.144
_exptl_absorpt_correction_T_max  0.682
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'Re-crystallisation from solvent: THF/hexane'
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_refine_ls_abs_structure_details
;
 Flack x determined using 871 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.012(4)
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3464
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_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0405
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0225P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0702
_refine_ls_wR_factor_ref         0.0756
_reflns_Friedel_coverage         0.647
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_reflns_Friedel_fraction_max     0.988
_reflns_number_gt                2780
_reflns_number_total             3464
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt04657j2.cif
_cod_data_source_block           compound_3
_cod_depositor_comments
'Adding full bibliography for 7045310--7045315.cif.'
_cod_original_cell_volume        3923.19(17)
_cod_database_code               7045310
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              56856