Coligand modifications fine-tuned the structure and magnetic properties of two triple-bridged azido-Cu(ii) chain compounds exhibiting ferromagnetic ordering and slow relaxation.
Liu, Xiangyu; Li, Feifei; Ma, Xiaohui; Cen, Peipei; Luo, Shuchang; Shi, Quan; Ma, Shenru; Wu, Yuewei; Zhang, Chengcheng; Xu, Zhao; Song, Weiming; Xie, Gang; Chen, Sanping; Dalton transactions (Cambridge, England : 2003) 46 (2017) 1207–1217; doi:10.1039/c6dt04108f

data_7041530
_publ_section_title
;
 Coligand modifications fine-tuned the structure and magnetic properties
 of two triple-bridged azido-Cu(ii) chain compounds exhibiting
 ferromagnetic ordering and slow relaxation.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1207
_journal_page_last               1217
_journal_paper_doi               10.1039/c6dt04108f
_journal_volume                  46
_journal_year                    2017
_chemical_formula_sum            'C8 H7 Cu F2 N3 O3'
_chemical_formula_weight         294.71
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-12-19 deposited with the CCDC.
2016-12-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.846(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.7839(16)
_cell_length_b                   6.5316(13)
_cell_length_c                   10.911(2)
_cell_measurement_reflns_used    3540
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.84
_cell_measurement_theta_min      3.67
_cell_volume                     536.21(18)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0947
_diffrn_reflns_av_unetI/netI     0.0444
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7543
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.016
_diffrn_reflns_theta_min         3.669
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.065
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5070
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.825
_exptl_crystal_description       strip
_exptl_crystal_F_000             294
_exptl_crystal_size_max          0.290
_exptl_crystal_size_mid          0.138
_exptl_crystal_size_min          0.076
_refine_diff_density_max         0.482
_refine_diff_density_min         -0.497
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     102
_refine_ls_number_reflns         1156
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0516
_refine_ls_R_factor_gt           0.0393
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0581P)^2^+0.0555P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0919
_refine_ls_wR_factor_ref         0.0983
_reflns_Friedel_coverage         0.000
_reflns_number_gt                923
_reflns_number_total             1156
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt04108f2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7041530--7041531.cif.'
_cod_original_cell_volume        536.22(19)
_cod_database_code               7041530
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.586
_shelx_estimated_absorpt_t_max   0.859
_shelx_res_checksum              37875