Syntheses, crystal structures and magnetic properties of a series of ZnII2LnIII2 compounds (Ln = Gd, Tb, Dy, Ho and Er): contrasting structural and magnetic features
Ghosh, Sagar; Hari, Nairita; Pinkowicz, Dawid; Fitta, Magdalena; Mohanta, Sasankasekhar; New Journal of Chemistry 42 (2018) 15917–; doi:10.1039/C8NJ02532K

data_7057673
_publ_section_title
;
 Syntheses, crystal structures and magnetic properties of a series of
 ZnII2LnIII2 compounds (Ln = Gd, Tb, Dy, Ho and Er): contrasting
 structural and magnetic features
;
_journal_issue                   19
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              15917
_journal_paper_doi               10.1039/C8NJ02532K
_journal_volume                  42
_journal_year                    2018
_chemical_formula_sum            'C34 H52 Cl2 Gd2 N4 O16 Zn2'
_chemical_formula_weight         1288.93
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_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   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-08-20 deposited with the CCDC.
2018-08-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      21.71
_cell_measurement_theta_min      2.47
_cell_volume                     2270.1(9)
_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0632
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_diffrn_reflns_number            15972
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_description       cuboid
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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^)+(0.0300P)^2^+1.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0673
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                3038
_reflns_number_total             4169
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8nj02532k2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7057673--7057677.cif.'
_cod_original_cell_volume        2270.2(8)
_cod_database_code               7057673
_shelx_shelxl_version_number     2014/7
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_shelx_estimated_absorpt_t_max   0.597
_shelx_res_checksum              20196