Structural and anionic effects of microcrystalline Zn-CPs on 4-nitrophenol sensing performances
Lee, Hyemin; Kim, Min-Yeong; Lee, Haeri; RSC Advances 12 (2022) 12957–12966; doi:10.1039/D2RA01239A

data_7244880
_publ_section_title
;
 Structural and anionic effects of microcrystalline Zn-CPs on
 4-nitrophenol sensing performances
;
_journal_issue                   21
_journal_name_full               'RSC Advances'
_journal_page_first              12957
_journal_page_last               12966
_journal_paper_doi               10.1039/D2RA01239A
_journal_volume                  12
_journal_year                    2022
_chemical_formula_moiety         'C30 H36 B2 F8 N12 Zn'
_chemical_formula_sum            'C30 H36 B2 F8 N12 Zn'
_chemical_formula_weight         803.70
_space_group_crystal_system      trigonal
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_space_group_name_Hall           '-P 3'
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_audit_update_record
;
2022-01-20 deposited with the CCDC.	2022-04-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_cell_refinement       'Bruker APEXIII'
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_diffrn_measurement_device_type  'PHOTON II 14'
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_diffrn_source                   'I\^I1/4S 3.0 Microfocus'
_exptl_absorpt_coefficient_mu    0.771
_exptl_absorpt_correction_T_max  1.000
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_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0600P)^2^+1.3706P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1430
_refine_ls_wR_factor_ref         0.1518
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1102
_reflns_number_total             1365
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2ra01239a2.cif
_cod_data_source_block           01-BF4_a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' 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.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        893.3(2)
_cod_database_code               7244880
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.937
_shelx_estimated_absorpt_t_max   0.982
_shelx_res_checksum              37463