Self-assembly of linear [Mn(II)2Mn(III)] units with end-on azido bridges: the construction of a ferromagnetic chain using ST = 7 high-spin trimers.
Jiang, Yuan; Qin, Lei; Li, Guanghua; Abbas, Ghulam; Cao, Yaqun; Wu, Gang; Han, Tian; Zheng, Yan-Zhen; Qiu, Shilun; Dalton transactions (Cambridge, England : 2003) 44 (2015) 5205–5210; doi:10.1039/c4dt02533d

data_7033862
_publ_section_title
;
 Self-assembly of linear [Mn(II)2Mn(III)] units with end-on azido bridges:
 the construction of a ferromagnetic chain using ST = 7 high-spin trimers.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5205
_journal_page_last               5210
_journal_paper_doi               10.1039/c4dt02533d
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C26 H82 B22 Ge2 N2'
_chemical_formula_weight         805.94
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-12-17 deposited with the CCDC.
2015-01-30 downloaded from the CCDC.
;
_cell_angle_alpha                112.0340(10)
_cell_angle_beta                 99.0220(10)
_cell_angle_gamma                96.148(2)
_cell_formula_units_Z            3
_cell_length_a                   12.3369(5)
_cell_length_b                   16.3463(8)
_cell_length_c                   19.6863(9)
_cell_measurement_reflns_used    168
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      43.65
_cell_measurement_theta_min      4.615
_cell_volume                     3574.3(3)
_computing_cell_refinement       'APEX2 v2011.8-0 (Bruker AXS)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX DUO'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0346
_diffrn_reflns_av_sigmaI/netI    0.0496
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            38543
_diffrn_reflns_theta_full        26.73
_diffrn_reflns_theta_max         26.73
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    1.284
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.827
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.123
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             1278
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.5
_refine_diff_density_max         0.355
_refine_diff_density_min         -0.356
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     703
_refine_ls_number_reflns         15127
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0544
_refine_ls_R_factor_gt           0.0356
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0445P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0813
_refine_ls_wR_factor_ref         0.0879
_reflns_number_gt                11736
_reflns_number_total             15127
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt02533d2.cif
_cod_data_source_block           solve
_cod_depositor_comments
'Adding full bibliography for 7033862--7033864.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7033862