Effect of thermal annealing on the ferrimagnetic behavior and ordering of the [MnTXPP]+[TCNE]˙−·solv (X = F, Cl, Br, I; solv = PhMe, CH2Cl2) family of magnets
Rittenberg, Durrell K.; Arif, Atta M.; Miller, Joel S.; Journal of the Chemical Society, Dalton Transactions  (2000) 3939–; doi:10.1039/b003458o

data_7009764
_publ_section_title
;
 Effect of thermal annealing on the ferrimagnetic behavior and ordering
 of the [MnTXPP]+[TCNE]&#x02D9;&#x2212;&#x00B7;solv
 (X&#x2005;=&#x2005;F, Cl, Br, I; solv&#x2005;=&#x2005;PhMe, CH2Cl2)
 family of magnets&#x200A;
;
_journal_issue                   21
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3939
_journal_paper_doi               10.1039/b003458o
_journal_year                    2000
_chemical_formula_sum            'C52 H28 Br4 Cl4 Mn N8'
_chemical_formula_weight         1281.2
_chemical_name_systematic
;

 ?

;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2000-04-20T23:23:35-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 100.23(6)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.973(5)
_cell_length_b                   10.824(5)
_cell_length_c                   23.584(15)
_cell_measurement_temperature    293(2)
_cell_volume                     2505(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.553
_diffrn_measured_fraction_theta_max 0.553
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_av_sigmaI/netI    0.0403
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            2431
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         2.08
_exptl_absorpt_coefficient_mu    3.712
_exptl_crystal_density_diffrn    1.698
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1258
_refine_diff_density_max         0.586
_refine_diff_density_min         -0.754
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.121
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     319
_refine_ls_number_reflns         2431
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.121
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0569
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1484
_refine_ls_wR_factor_ref         0.1484
_reflns_number_gt                2431
_reflns_number_total             2431
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b003458o.txt
_cod_data_source_block           shelxl
_cod_database_code               7009764