Enhancement of the coordinating flexibility in a Schiff‒Mannich combo ligand: forced generation of a new NiII‒Ophenoxo‒LnIII‒Oalkoxo‒LnIII array (Ln = Gd, Tb, Dy and Ho)
Bag, Riya; Sikdar, Yeasin; Saha, Pinaki; Ghosh, Prasanta; Drew, Michael G. B.; Tang, Jinkui; Goswami, Sanchita; New Journal of Chemistry 45 (2021) 5258–5265; doi:10.1039/D0NJ05812B

data_7060408
_publ_section_title
;
 Enhancement of the coordinating flexibility in a Schiff--Mannich combo
 ligand: forced generation of a new NiII--Ophenoxo--LnIII--Oalkoxo--LnIII
 array (Ln = Gd, Tb, Dy and Ho)
;
_journal_issue                   11
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              5258
_journal_page_last               5265
_journal_paper_doi               10.1039/D0NJ05812B
_journal_volume                  45
_journal_year                    2021
_chemical_formula_sum            'C30 H39 Gd2 N9 Ni O18'
_chemical_formula_weight         1186.91
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2021-02-03 deposited with the CCDC.	2021-02-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_volume                     4110.1(4)
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_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker AXS D8 QUEST ECO'
_diffrn_measurement_method       'Phi and omega scan'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0381
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_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_l_min       -22
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_exptl_absorpt_correction_T_min  0.295
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
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_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      1.180
_refine_ls_R_factor_all          0.0475
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0151P)^2^+20.2155P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0757
_refine_ls_wR_factor_ref         0.0834
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7190
_reflns_number_total             8394
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0nj05812b2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7060408--7060412.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7060408
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              95629
_shelx_hkl_checksum              10099