Expanding the dimensionality of bis(tetrazolyl)alkane-based Fe(II) coordination polymers by the application of dinitrile coligands.
Tołoczko, Aleksandra; Kaźmierczak, Marcin; Książek, Maria; Weselski, Marek; Siczek, Miłosz; Kusz, Joachim; Bronisz, Robert; Dalton transactions (Cambridge, England : 2003) 53 (2024) 7163–7174; doi:10.1039/d4dt00462k

data_7715502
_publ_section_title
;
 Expanding the dimensionality of bis(tetrazolyl)alkane-based Fe(II)
 coordination polymers by the application of dinitrile coligands.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7163
_journal_page_last               7174
_journal_paper_doi               10.1039/d4dt00462k
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety
;
C14 H20 Fe N18, C8 H12 N2, 2(B F4)
;
_chemical_formula_sum            'C22 H32 B2 F8 Fe N20'
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_audit_update_record
;
2024-02-13 deposited with the CCDC.	2024-03-21 downloaded from the CCDC.
;
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;
SuperNova diffractometer (Agilent Technologies) with Atlas detector
;
_diffrn_measurement_method       '\w scans'
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_diffrn_source                   'micro-focus sealed X-ray tube'
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.41q (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_description       polyhedron
_exptl_crystal_F_000             1648
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0717
_refine_ls_R_factor_gt           0.0472
_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^)+(0.0438P)^2^+2.5294P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1079
_refine_ls_wR_factor_ref         0.1251
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11804
_reflns_number_total             16003
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt00462k2.cif
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_cod_depositor_comments
'Adding full bibliography for 7715495--7715502.cif.'
_cod_original_cell_volume        3441.90(12)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7715502
_shelx_shelxl_version_number     2019/3
_shelx_estimated_absorpt_t_min   0.924
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_shelx_res_checksum              90064