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_7058462
_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            'C16 H36 F3 N4 O21 V7'
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_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   mixed
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;
2017-10-18 deposited with the CCDC.    2019-06-10 downloaded from the CCDC.
;
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;
'Fri Mar 11 09:31:45 2016'
;
_computing_data_collection
;
'Fri Mar 11 09:31:45 2016'
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'Fri Mar 11 09:31:45 2016'
;
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
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_diffrn_measured_fraction_theta_max 0.831
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.831
_diffrn_reflns_limit_h_max       15
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_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14045
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.657
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_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.974
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.22556
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
'Fri Mar 11 09:31:45 2016'
;
_exptl_crystal_colour            darkblue
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;
'Fri Mar 11 09:31:45 2016'
;
_exptl_crystal_F_000             1032
_refine_diff_density_max         1.007
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         7857
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_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0498
_refine_ls_R_factor_gt           0.0380
_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^)+(0.0482P)^2^+0.4770P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0951
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                6483
_reflns_number_total             7857
_reflns_threshold_expression     'I > 2\s(I)'
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_shelxl_version_number           2014-3
_shelx_res_checksum              83770