The role of iron(ii) dilution in the magnetic and photomagnetic properties of the series [FexZn1-x(bpp)2](NCSe)2.
Baldé, Chérif; Desplanches, Cédric; Le Gac, Fréderic; Guionneau, Philippe; Létard, Jean-François; Dalton transactions (Cambridge, England : 2003) 43 (2014) 7820–7829; doi:10.1039/c3dt52964a

data_7029681
_publ_section_title
;
 The role of iron(ii) dilution in the magnetic and photomagnetic
 properties of the series [FexZn1-x(bpp)2](NCSe)2.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7820
_journal_page_last               7829
_journal_paper_doi               10.1039/c3dt52964a
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C24 H18 Fe0.56 N12 Se2 Zn0.44'
_chemical_formula_weight         692.46
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
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_cell_angle_alpha                87.024(8)
_cell_angle_beta                 83.163(6)
_cell_angle_gamma                88.898(9)
_cell_formula_units_Z            2
_cell_length_a                   8.3680(10)
_cell_length_b                   8.426(2)
_cell_length_c                   19.889(5)
_cell_measurement_reflns_used    188877
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_cell_measurement_theta_min      1.0
_cell_volume                     1390.4(5)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
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_computing_data_reduction        'HKL Denzo (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 (Farrugia, 1997)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
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_diffrn_measured_fraction_theta_max 0.700
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\f scans, and \w scans with \k'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0316
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_diffrn_reflns_Laue_measured_fraction_full 0.753
_diffrn_reflns_Laue_measured_fraction_max 0.700
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_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
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_diffrn_reflns_point_group_measured_fraction_full 0.753
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_diffrn_reflns_theta_max         27.931
_diffrn_reflns_theta_min         1.032
_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_correction_T_max  0.7404
_exptl_absorpt_correction_T_min  0.7404
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   scalepack
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_exptl_crystal_description       block
_exptl_crystal_F_000             684
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
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_refine_diff_density_min         -0.417
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         4657
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.1029
_refine_ls_R_factor_gt           0.0526
_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^)+(0.0051P)^2^+3.1247P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0834
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_reflns_number_gt                2930
_reflns_number_total             4657
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c3dt52964a2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7029680--7029681.cif.'
_cod_database_code               7029681
_shelx_estimated_absorpt_t_min   0.731
_shelx_estimated_absorpt_t_max   0.731
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_shelx_hkl_checksum              13435