The first example of an asymmetrical μ-oxo bridged dinuclear iron complex with a terpyridine ligand
Bocian, Aleksandra; Napierała, Sergiusz; Gorczyński, Adam; Kubicki, Maciej; Wałęsa-Chorab, Monika; Patroniak, Violetta; New Journal of Chemistry 43 (2019) 12650–; doi:10.1039/C9NJ02413A

data_7058617
_publ_section_title
;
 The first example of an asymmetrical \m-oxo bridged dinuclear iron
 complex with a terpyridine ligand
;
_journal_issue                   32
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              12650
_journal_paper_doi               10.1039/C9NJ02413A
_journal_volume                  43
_journal_year                    2019
_chemical_formula_moiety         'C17 H15 Cl4 Fe2 N3 O'
_chemical_formula_sum            'C17 H15 Cl4 Fe2 N3 O'
_chemical_formula_weight         530.82
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
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_audit_update_record
;
2019-02-06 deposited with the CCDC.    2019-07-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_measurement_temperature    295(2)
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_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      295(2)
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_diffrn_measurement_device_type  'SuperNova, Single source at offset), Atlas'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'Nova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
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_diffrn_reflns_av_unetI/netI     0.0336
_diffrn_reflns_Laue_measured_fraction_full 0.995
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_diffrn_reflns_point_group_measured_fraction_full 0.995
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;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.4 (release 09-12-2010 CrysAlis171 .NET)
(compiled Dec  9 2010,10:47:41)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.716
_exptl_crystal_description       block
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_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.581
_refine_diff_density_min         -0.477
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         4080
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0491
_refine_ls_R_factor_gt           0.0400
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0610P)^2^+0.9300P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1066
_refine_ls_wR_factor_ref         0.1147
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3432
_reflns_number_total             4080
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9nj02413a2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7058617--7058618.cif.'
_cod_database_code               7058617
_shelx_res_checksum              68621