Cyclic phosphazene derivatives combined with two different forms of the phenol-pyrazole group: synthesis, spectroscopic and crystallographic characterization and stereochemical properties
Mutlu Balcı, Ceylan; Palabıyık, Duygu; Beşli, Serap; New Journal of Chemistry 49 (2025) 9583–9599; doi:10.1039/D5NJ01321F

data_7063812
_publ_section_title
;
 Cyclic phosphazene derivatives combined with two different forms of the
 phenol-pyrazole group: synthesis, spectroscopic and crystallographic
 characterization and stereochemical properties
;
_journal_issue                   23
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              9583
_journal_page_last               9599
_journal_paper_doi               10.1039/D5NJ01321F
_journal_volume                  49
_journal_year                    2025
_chemical_formula_moiety         'C9 H6 Cl4 N5 O P3'
_chemical_formula_sum            'C9 H6 Cl4 N5 O P3'
_chemical_formula_weight         434.90
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_space_group_name_Hall           '-P 2ybc'
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Olex2 1.3
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2025-03-03 deposited with the CCDC.	2025-05-06 downloaded from the CCDC.
;
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'Bruker APEX II QUAZAR three-circle diffractometer'
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0424P)^2^+0.5735P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7063812--7063815.cif.'
_cod_database_code               7063812
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_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C8(H8), C9(H9)
;
_shelx_res_checksum              59018
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_olex2_submission_special_instructions 'No special instructions were received'