Ammonia reactivity with ferriotetrylenes: a structural snapshot of a highly dynamic process.
Cao, Phuong Anh; Phung, Alice C.; Schwirzke, Ella L.; Fettinger, James C.; Rusmore, Theo A. H.; Mears, Kristian L.; Vasko, Petra; Power, Philip P.; Chemical communications (Cambridge, England) 61 (2025) 19092–19095; doi:10.1039/d5cc04597e

data_7135287
_publ_section_title
;
 Ammonia reactivity with ferriotetrylenes: a structural snapshot of a
 highly dynamic process.
;
_journal_issue                   96
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              19092
_journal_page_last               19095
_journal_paper_doi               10.1039/d5cc04597e
_journal_volume                  61
_journal_year                    2025
_chemical_formula_moiety         'C37 H45 Fe N O2 Sn'
_chemical_formula_sum            'C37 H45 Fe N O2 Sn'
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_audit_update_record
;
2025-06-27 deposited with the CCDC.	2025-10-22 downloaded from the CCDC.
;
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'SHELXT (Sheldrick, 2015) Acta Cryst., A71, 3-8'
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_refine_ls_abs_structure_details
; 
 Flack x determined using 1487 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   0.04(3)
_refine_ls_extinction_method     none
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0255P)^2^+4.4652P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.779
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           CAO75FMI
_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/current/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 8170 2020-07-09 18:12:32Z antanas 
;
_cod_original_cell_volume        3370.7(10)
_cod_database_code               7135287
_shelx_shelxl_version_number     2019/1
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_shelx_res_checksum              62497