Correction to “Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes”
Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju; ACS Omega 4 (2019) 20423–; doi:10.1021/acsomega.9b03593

data_4517134
_publ_section_title
;
 Correction to &#x201C;Temperature-Induced
 Single-Crystal-to-Single-Crystal Transformations with Consequential
 Changes in the Magnetic Properties of Fe(III) Complexes&#x201D;
;
_journal_issue                   23
_journal_name_full               'ACS Omega'
_journal_page_first              20423
_journal_paper_doi               10.1021/acsomega.9b03593
_journal_volume                  4
_journal_year                    2019
_chemical_formula_sum            'C14 H14 Fe2 N2 O13'
_chemical_formula_weight         529.97
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_space_group_name_Hall           '-C 2yc'
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_cell_angle_beta                 90.043(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.3981(11)
_cell_length_b                   21.713(2)
_cell_length_c                   7.5145(7)
_cell_measurement_reflns_used    2608
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.00
_cell_measurement_theta_min      3.33
_cell_volume                     1859.7(3)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0795
_diffrn_reflns_av_unetI/netI     0.0615
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            12262
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.259
_diffrn_reflns_theta_min         3.334
_exptl_absorpt_coefficient_mu    1.637
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.893
_exptl_crystal_description       Block
_exptl_crystal_F_000             1072
_refine_diff_density_max         0.842
_refine_diff_density_min         -0.614
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     145
_refine_ls_number_reflns         2297
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0829
_refine_ls_R_factor_gt           0.0494
_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^)+(0.0745P)^2^+3.2963P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                1609
_reflns_number_total             2297
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ao9b03593_si_001.cif
_cod_data_source_block           Complex_1
_cod_depositor_comments
'Adding full bibliography for 4517133--4517134.cif.'
_cod_original_cell_volume        1859.8(3)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4517134
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              77936
_shelx_hkl_checksum              69913