Controlled One Pot Synthesis of Polyoxofluorovanadate Molecular Hybrids Exhibiting Peroxidase Like Activity
Nicolaou, Maria; Drouza, Chryssoula; Keramidas, Anastasios; New Journal of Chemistry 43 (2019) 17595–17602; doi:10.1039/C9NJ01999E

data_7058463
_publ_section_title
;
 Controlled One Pot Synthesis of Polyoxofluorovanadate Molecular Hybrids
 Exhibiting Peroxidase Like Activity
;
_journal_issue                   45
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              17595
_journal_page_last               17602
_journal_paper_doi               10.1039/C9NJ01999E
_journal_volume                  43
_journal_year                    2019
_chemical_formula_sum            'C8.5 H8.62 F0.25 N1.5 Na0.12 O7.88 V2.25'
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_space_group_name_Hall           '-P 4n 2n'
_space_group_name_H-M_alt        'P 42/m n m'
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
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_audit_update_record
;
2019-05-21 deposited with the CCDC.    2019-06-10 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
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_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0392
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_diffrn_reflns_point_group_measured_fraction_full 0.997
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_diffrn_reflns_theta_min         3.329
_diffrn_source                   'micro-focus sealed X-ray tube'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'dark blue'
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         4018
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_refine_ls_restrained_S_all      1.135
_refine_ls_R_factor_all          0.0817
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_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^)+(0.0933P)^2^+28.2030P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1917
_refine_ls_wR_factor_ref         0.2047
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3236
_reflns_number_total             4018
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9nj01999e2.cif
_cod_data_source_block           shelx_CCDC1
_cod_original_cell_volume        5820.8(4)
_cod_original_formula_sum        'C8.50 H8.62 F0.25 N1.50 Na0.12 O7.88 V2.25'
_cod_database_code               7058463
_shelxl_version_number           2014-3
_shelx_res_checksum              76021