Isolation, structure and magnetic properties of two novel core-shell 3d-4f heterometallic nanoscale clusters.
Lin, Qingfang; Zhang, Yu; Cheng, Weiwei; Liu, Ying; Xu, Yan; Dalton transactions (Cambridge, England : 2003) 46 (2017) 643–646; doi:10.1039/c6dt04118c

data_7041366
_publ_section_title
;
 Isolation, structure and magnetic properties of two novel core-shell
 3d-4f heterometallic nanoscale clusters.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              643
_journal_page_last               646
_journal_paper_doi               10.1039/c6dt04118c
_journal_volume                  46
_journal_year                    2017
_chemical_formula_sum            'C198 H333 Cl6 N42 Na4 Nd38 Ni42.5 O339'
_chemical_formula_weight         17007.00
_space_group_crystal_system      orthorhombic
_space_group_IT_number           58
_space_group_name_Hall           '-P 2 2n'
_space_group_name_H-M_alt        'P n n m'
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-12-02 deposited with the CCDC.
2016-12-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_length_c                   24.664(3)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.8
_cell_measurement_theta_min      2.16
_cell_volume                     24043(4)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
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_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker Apex2 CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2260
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_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            104792
_diffrn_reflns_point_group_measured_fraction_full 0.971
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_diffrn_reflns_theta_max         25.025
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_exptl_absorpt_correction_T_max  0.5685
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            Blue
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_exptl_crystal_description       Slice
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                10963
_reflns_number_total             21142
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt04118c2.cif
_cod_data_source_block           zy-17
_cod_depositor_comments
'Adding full bibliography for 7041366--7041367.cif.'
_cod_original_formula_sum        'C198 H333 Cl6 N42 Na4 Nd38 Ni42.50 O339'
_cod_database_code               7041366
_shelx_shelxl_version_number     2014/7
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