A fluoride bridged {Cr(III)4Dy(III)4} single molecule magnet.
Langley, Stuart K.; Forsyth, Craig M.; Moubaraki, Boujemaa; Murray, Keith S.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 912–915; doi:10.1039/c4dt03100h

data_7033225
_publ_section_title
;
 A fluoride bridged {Cr(III)4Dy(III)4} single molecule magnet.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              912
_journal_page_last               915
_journal_paper_doi               10.1039/c4dt03100h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C78.75 H101 Cr4 Dy4 F4 N4 O30.25'
_chemical_formula_weight         2521.58
_chemical_name_common
'[CrIII4DyIII4F4(OMe)1.12(OH)2.88(O2CPh)8(mdea)4] '
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             '9 November 2005'
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-11-05 deposited with the CCDC.
2014-11-24 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 106.97(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.266(4)
_cell_length_b                   28.026(6)
_cell_length_c                   23.327(5)
_cell_measurement_reflns_used    182478
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.91
_cell_measurement_theta_min      1.17
_cell_volume                     10796(4)
_computing_cell_refinement       'XDS (Kabsch, 1993)'
_computing_data_collection       'Blu-Ice (McPhillips et al, 2002)'
_computing_data_reduction        'XDS (Kabsch, 1993)'
_computing_molecular_graphics    X-SEED
_computing_publication_material  'XCIF V6.12 (BrukerAXS, 2001).'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  synchrotron
_diffrn_measurement_method       'scans in phi'
_diffrn_radiation_monochromator  'double crystal'
_diffrn_radiation_source         '3BM1 dipole'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.71079
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0360
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            26159
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.91
_diffrn_reflns_theta_min         0.91
_exptl_absorpt_coefficient_mu    3.192
_exptl_absorpt_correction_T_max  0.897
_exptl_absorpt_correction_T_min  0.463
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.547
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4929
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_recrystallization_method 'layered diethyl ether on methanol'
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.01
_platon_squeeze_details
;
;
_refine_diff_density_max         3.167
_refine_diff_density_min         -2.943
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1329
_refine_ls_number_reflns         26159
_refine_ls_number_restraints     61
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0713
_refine_ls_R_factor_gt           0.0534
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0997P)^2^+6.1640P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1482
_refine_ls_wR_factor_ref         0.1563
_reflns_number_gt                18649
_reflns_number_total             26159
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt03100h2.cif
_cod_data_source_block           global
_cod_depositor_comments          'Adding full bibliography for 7033225.cif.'
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               7033225