Ca(ii), Yb(ii) and Tm(iii) complexes with tri- and tetra-anions of 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene.
Fedushkin, Igor L.; Lukina, Daria A.; Skatova, Alexandra A.; Lukoyanov, Anton N.; Cherkasov, Anton V.; Chemical communications (Cambridge, England) 54 (2018) 12950–12953; doi:10.1039/c8cc08108e

data_7122542
_publ_section_title
;
 Ca(ii), Yb(ii) and Tm(iii) complexes with tri- and tetra-anions of
 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene.
;
_journal_issue                   92
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              12950
_journal_page_last               12953
_journal_paper_doi               10.1039/c8cc08108e
_journal_volume                  54
_journal_year                    2018
_chemical_formula_moiety         'C80 H96 N4 Na2 O2 Tm2'
_chemical_formula_sum            'C80 H96 N4 Na2 O2 Tm2'
_chemical_formula_weight         1529.44
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2018-08-02 deposited with the CCDC.
2018-10-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
_cell_formula_units_Z            2
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_cell_measurement_theta_min      2.34
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_computing_structure_refinement  SHELXL-2017/1
_computing_structure_solution    SHELXT-2014/5
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker Smart Apex (CCD)'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0692
_diffrn_reflns_av_unetI/netI     0.0634
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
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_diffrn_reflns_limit_k_max       22
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_diffrn_reflns_limit_l_min       -19
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_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
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_diffrn_reflns_theta_max         28.789
_diffrn_reflns_theta_min         2.004
_diffrn_source                   'fine focus sealed tube'
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_exptl_absorpt_correction_T_max  0.666
_exptl_absorpt_correction_T_min  0.521
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2016/2
_exptl_crystal_colour            black
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_exptl_crystal_description       plate
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_refine_ls_R_factor_all          0.0736
_refine_ls_R_factor_gt           0.0468
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0569P)^2^+5.0548P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1202
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_reflns_number_gt                6550
_reflns_number_total             8741
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8cc08108e2.cif
_cod_data_source_block           tmnabian
_cod_depositor_comments
'Adding full bibliography for 7122540--7122542.cif.'
_cod_original_cell_volume        3366.3(13)
_cod_database_code               7122542
_shelx_shelxl_version_number     2017/1
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_shelx_res_checksum              85581
_shelx_hkl_checksum              88303