Molecular mechanisms behind the anti corona virus activity of small metal oxide nanoparticles.
Greijer, Björn; Nefedova, Alexandra; Agback, Tatiana; Agback, Peter; Kisand, Vambola; Rausalu, Kai; Vanetsev, Alexander; Seisenbaeva, Gulaim A.; Ivask, Angela; Kessler, Vadim G.; Nanoscale 17 (2025) 3728–3738; doi:10.1039/d4nr03730h

data_1573714
_publ_section_title
;
 Molecular mechanisms behind the anti corona virus activity of small metal
 oxide nanoparticles.
;
_journal_issue                   7
_journal_name_full               Nanoscale
_journal_page_first              3728
_journal_page_last               3738
_journal_paper_doi               10.1039/d4nr03730h
_journal_volume                  17
_journal_year                    2025
_chemical_formula_sum            'C24 H42 N12 O58 Si W12'
_chemical_formula_weight         3660.98
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-08-30 deposited with the CCDC.	2025-01-17 downloaded from the CCDC.
;
_cell_angle_alpha                99.7051(8)
_cell_angle_beta                 91.9863(9)
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_cell_length_b                   12.4152(5)
_cell_length_c                   13.1760(6)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      34.75
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_cell_volume                     1693.76(13)
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'Bruker D8 Quest ECO'
_diffrn_measurement_method       'Omega scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0377
_diffrn_reflns_av_unetI/netI     0.0462
_diffrn_reflns_Laue_measured_fraction_full 0.962
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_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
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_diffrn_reflns_point_group_measured_fraction_full 0.962
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_diffrn_reflns_theta_max         25.024
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_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    20.424
_exptl_absorpt_correction_T_max  0.32
_exptl_absorpt_correction_T_min  0.24
_exptl_absorpt_correction_type   empirical
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_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.589
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1636
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_exptl_crystal_size_max          0.320
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0666
_refine_ls_R_factor_gt           0.0655
_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^)+(0.0197P)^2^+128.9648P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1564
_refine_ls_wR_factor_ref         0.1570
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5605
_reflns_number_total             5757
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4nr03730h2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Empirical' was
changed to 'empirical' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 1573714--1573715.cif.
;
_cod_database_code               1573714
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.059
_shelx_estimated_absorpt_t_max   0.106
_exptl_absorpt_special_details   'Bruker SADABS'
_shelx_res_checksum              21038
_shelx_hkl_checksum              13507