From zero-dimensional to one-dimensional chain N-oxide bridged compounds with enhanced single-molecule magnetic performance.
Zhang, Ling; Chen, Peng; Li, Hong-Feng; Tian, Yong-Mei; Yan, Peng-Fei; Sun, Wen-Bin; Dalton transactions (Cambridge, England : 2003) 48 (2019) 4324–4332; doi:10.1039/c9dt00210c

data_7049170
_publ_section_title
;
 From zero-dimensional to one-dimensional chain N-oxide bridged compounds
 with enhanced single-molecule magnetic performance.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4324
_journal_page_last               4332
_journal_paper_doi               10.1039/c9dt00210c
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C70 H46 Dy2 F18 N2 O14'
_chemical_formula_weight         1806.09
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-02-19 deposited with the CCDC.    2019-02-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.175(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.9410(6)
_cell_length_b                   14.3461(12)
_cell_length_c                   17.1220(8)
_cell_measurement_reflns_used    8740
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.6503
_cell_measurement_theta_min      3.0818
_cell_volume                     3600.4(4)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.918
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0277
_diffrn_reflns_av_unetI/netI     0.0298
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.918
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            33723
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.918
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         29.716
_diffrn_reflns_theta_min         3.088
_exptl_absorpt_coefficient_mu    2.169
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.61547
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'clear whiteish white'
_exptl_crystal_density_diffrn    1.666
_exptl_crystal_description       block
_exptl_crystal_F_000             1772
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.859
_refine_diff_density_min         -0.835
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         9389
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.118
_refine_ls_R_factor_all          0.0753
_refine_ls_R_factor_gt           0.0425
_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^)+(0.0190P)^2^+6.1860P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0745
_refine_ls_wR_factor_ref         0.0892
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6642
_reflns_number_total             9389
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt00210c2.cif
_cod_data_source_block           1Dy
_cod_depositor_comments
'Adding full bibliography for 7049170--7049173.cif.'
_cod_database_code               7049170
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              33982