Synthesis, crystal structures and magnetic properties of two heterometallic {Ln8Cr4} (Ln = Gd3+ and Tb3+) complexes with one-dimensional wave chain structure
Han, Ye-Min; Li, Ning-Fang; Yu, Yan-Zhao; Cao, Jia-Peng; Yang, Mu-Xiu; Hong, Ya-Lin; Kang, Run-Kun; Yuan, Peng; Xu, Yan; RSC Advances 10 (2020) 11365–11370; doi:10.1039/D0RA01524E

data_7240154
_publ_section_title
;
 Synthesis, crystal structures and magnetic properties of two
 heterometallic {Ln8Cr4} (Ln = Gd3+ and Tb3+) complexes with
 one-dimensional wave chain structure
;
_journal_issue                   19
_journal_name_full               'RSC Advances'
_journal_page_first              11365
_journal_page_last               11370
_journal_paper_doi               10.1039/D0RA01524E
_journal_volume                  10
_journal_year                    2020
_chemical_formula_sum            'C108 H124 Cr4 Gd8 N18 O71'
_chemical_formula_weight         4276.24
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-01-16 deposited with the CCDC.	2020-03-11 downloaded from the CCDC.
;
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_cell_length_c                   21.07(3)
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_cell_measurement_theta_min      2.20
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_computing_cell_refinement       'SAINT (Bruker, 2005)'
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_computing_molecular_graphics    SHELXTL
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_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'Bruker Apex2 CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0320
_diffrn_reflns_av_unetI/netI     0.0517
_diffrn_reflns_Laue_measured_fraction_full 0.969
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_limit_h_max       16
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_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -21
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_diffrn_reflns_theta_max         25.099
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_exptl_absorpt_coefficient_mu    3.458
_exptl_absorpt_correction_T_max  0.702
_exptl_absorpt_correction_T_min  0.625
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            magenta
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_exptl_crystal_description       block
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_refine_diff_density_max         1.445
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_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         14457
_refine_ls_number_restraints     95
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.0436
_refine_ls_R_factor_gt           0.0346
_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^)+(0.0509P)^2^+1.2043P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0931
_refine_ls_wR_factor_ref         0.1007
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11973
_reflns_number_total             14457
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ra01524e2.cif
_cod_data_source_block           cch-10_sq
_cod_depositor_comments
'Adding full bibliography for 7240154--7240155.cif.'
_cod_original_cell_volume        4185(10)
_cod_database_code               7240154
_shelx_shelxl_version_number     2018/3
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_shelx_res_checksum              74929
_shelx_fab_checksum              45722