Self-assembly of Ni(II) with a chiral ligand pair <i>vs</i>. mixture of the chiral ligand pair: structural features and recognition ability of Ni<sub>2</sub>L<sub>4</sub> cages.
Han, Jihun; Back, Hyo Jeong; Hossain, Mohammad M.; Jung, Ok-Sang; Lee, Young-A; Dalton transactions (Cambridge, England : 2003) 53 (2024) 8934–8939; doi:10.1039/d4dt00762j

data_7716024
_publ_section_title
;
 Self-assembly of Ni(II) with a chiral ligand pair <i>vs</i>. mixture of
 the chiral ligand pair: structural features and recognition ability of
 Ni<sub>2</sub>L<sub>4</sub> cages.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8934
_journal_page_last               8939
_journal_paper_doi               10.1039/d4dt00762j
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'C112 H132 Cl4 N12 Ni2 O30'
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_space_group_name_Hall           '-C 2yc'
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_audit_update_record
;
2024-03-13 deposited with the CCDC.	2024-04-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_cell_refinement       'Bruker APEX software'
_computing_data_collection       'Bruker APEX software'
_computing_data_reduction        'Bruker APEX software'
_computing_molecular_graphics    ORTEP
_computing_publication_material  CIFTAB
_computing_structure_refinement  SHELXL
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      173(2)
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_min       -29
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_correction_T_max  0.7454
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
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_exptl_crystal_description       plate
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_refine_diff_density_max         1.505
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         11714
_refine_ls_number_restraints     519
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.1977
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_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^)+(0.1865P)^2^+170.8596P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3524
_refine_ls_wR_factor_ref         0.4158
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6914
_reflns_number_total             11714
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt00762j2.cif
_cod_data_source_block           mix-L
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7716023--7716025.cif.
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7716024
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.932
_shelx_estimated_absorpt_t_max   0.990
_shelx_res_checksum              57279