Cl<sup>-</sup>-templated coordination polymers constructed from dragonfly-like Ln<sub>4</sub> clusters exhibiting excellent magnetothermal properties.
Bai, Xu; Wang, Jian; Wang, Qin; Yu, Ya-Ting; Li, Jia-Nian; Mei, Hua; Xu, Yan; Dalton transactions (Cambridge, England : 2003) 53 (2024) 15602–15607; doi:10.1039/d4dt01905a

data_7716893
_publ_section_title
;
 Cl<sup>-</sup>-templated coordination polymers constructed from
 dragonfly-like Ln<sub>4</sub> clusters exhibiting excellent
 magnetothermal properties.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15602
_journal_page_last               15607
_journal_paper_doi               10.1039/d4dt01905a
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'C28 H52 Cl2 Gd4 N4 O29'
_chemical_formula_weight         1608.63
_space_group_crystal_system      cubic
_space_group_IT_number           204
_space_group_name_Hall           '-I 2 2 3'
_space_group_name_H-M_alt        'I m -3'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-06-13 deposited with the CCDC.	2024-08-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            24
_cell_length_a                   36.5627(17)
_cell_length_b                   36.5627(17)
_cell_length_c                   36.5627(17)
_cell_measurement_reflns_used    9754
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      51.58
_cell_measurement_theta_min      2.97
_cell_volume                     48878(4)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.1412
_diffrn_reflns_av_unetI/netI     0.0377
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            284378
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.995
_diffrn_reflns_theta_max         24.995
_diffrn_reflns_theta_min         0.788
_exptl_absorpt_coefficient_mu    3.336
_exptl_absorpt_correction_T_max  0.690
_exptl_absorpt_correction_T_min  0.690
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.312
_exptl_crystal_description       cube
_exptl_crystal_F_000             18480
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.120
_refine_diff_density_max         1.777
_refine_diff_density_min         -1.391
_refine_diff_density_rms         0.220
_refine_ls_extinction_coef       0.000073(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     303
_refine_ls_number_reflns         7556
_refine_ls_number_restraints     138
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0931
_refine_ls_R_factor_gt           0.0822
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0973P)^2^+2585.3296P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2182
_refine_ls_wR_factor_ref         0.2237
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6395
_reflns_number_total             7556
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt01905a2.cif
_cod_data_source_block           b01_sq
_cod_depositor_comments
'Adding full bibliography for 7716892--7716893.cif.'
_cod_original_cell_volume        48878(7)
_cod_database_code               7716893
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.690
_shelx_estimated_absorpt_t_max   0.690
_shelx_res_checksum              89335
_shelx_hkl_checksum              23910
_shelx_fab_checksum              9095