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_7058464
_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 H14 F4 N2 O V'
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2017-10-20 deposited with the CCDC.    2019-06-10 downloaded from the CCDC.
;
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_computing_cell_refinement
;
'Thu Mar 17 15:36:57 2016'
;
_computing_data_collection
;
'Thu Mar 17 15:36:57 2016'
;
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;
'Thu Mar 17 15:36:57 2016'
;
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
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_diffrn_measured_fraction_theta_max 0.799
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1044
_diffrn_reflns_av_unetI/netI     0.1000
_diffrn_reflns_Laue_measured_fraction_full 0.966
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_diffrn_reflns_limit_h_max       14
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_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
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_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            4574
_diffrn_reflns_point_group_measured_fraction_full 0.966
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_diffrn_reflns_theta_min         2.980
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.963
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.11721
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
'Thu Mar 17 15:36:57 2016'
;
_exptl_crystal_density_diffrn    1.743
_exptl_crystal_description
;
'Thu Mar 17 15:36:57 2016'
;
_exptl_crystal_F_000             572
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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_restraints     0
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0777
_refine_ls_R_factor_gt           0.0707
_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^)+(0.1574P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2092
_refine_ls_wR_factor_ref         0.2304
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1999
_reflns_number_total             2372
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9nj01999e2.cif
_cod_data_source_block           shelx_CCDC2
_cod_database_code               7058464
_shelxl_version_number           2014-3
_shelx_res_checksum              78465