Two unprecedented decanuclear heterometallic [MnMnLn] (Ln = Dy, Tb) complexes displaying relaxation of magnetization.
Wang, Hui-Sheng; Yang, Feng-Jun; Long, Qiao-Qiao; Huang, Zhi-Yong; Chen, Wei; Pan, Zhi-Quan; Song, You; Dalton transactions (Cambridge, England : 2003) 45 (2016) 18221–18228; doi:10.1039/c6dt02945k

data_7040857
_publ_section_title
;
 Two unprecedented decanuclear heterometallic [MnMnLn] (Ln = Dy, Tb)
 complexes displaying relaxation of magnetization.
;
_journal_issue                   45
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              18221
_journal_page_last               18228
_journal_paper_doi               10.1039/c6dt02945k
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C92 H126 Dy2 Mn8 N18 O38'
_chemical_formula_weight         2856.62
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-08-29 deposited with the CCDC.
2016-10-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.4780(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.2955(10)
_cell_length_b                   14.4552(6)
_cell_length_c                   35.1699(16)
_cell_measurement_reflns_used    9628
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      24.8303
_cell_measurement_theta_min      3.0702
_cell_volume                     11300.2(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'PHOTON100 CMOS detector'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0549
_diffrn_reflns_av_unetI/netI     0.0855
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            32988
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         3.049
_exptl_absorpt_coefficient_mu    2.254
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6416
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2012)'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.679
_exptl_crystal_description       rodlike
_exptl_crystal_F_000             5760
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.042
_refine_diff_density_min         -0.716
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     723
_refine_ls_number_reflns         9857
_refine_ls_number_restraints     42
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0820
_refine_ls_R_factor_gt           0.0427
_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^)+(0.0384P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0764
_refine_ls_wR_factor_ref         0.0839
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6888
_reflns_number_total             9857
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt02945k2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7040857--7040858.cif.'
_cod_database_code               7040857
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              68784