Phosphorus–nitrogen compounds. Part 73. Dispiromono and dispirobicyclotetraphosphazene derivatives: syntheses, and spectroscopic, crystallographic and thermal studies
Elmas, Gamze; Okumuş, Aytuğ; Kılıç, Zeynel; Hökelek, Tuncer; New Journal of Chemistry 48 (2024) 5804–5819; doi:10.1039/D4NJ00569D

data_7063069
_publ_section_title
;
 Phosphorus--nitrogen compounds. Part 73. Dispiromono and
 dispirobicyclotetraphosphazene derivatives: syntheses, and spectroscopic,
 crystallographic and thermal studies
;
_journal_issue                   13
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              5804
_journal_page_last               5819
_journal_paper_doi               10.1039/D4NJ00569D
_journal_volume                  48
_journal_year                    2024
_chemical_formula_moiety         'C22 H30 Cl4 F2 N8 P4'
_chemical_formula_sum            'C22 H30 Cl4 F2 N8 P4'
_chemical_formula_weight         710.22
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_space_group_IT_number           2
_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
;
2024-02-20 deposited with the CCDC.	2024-02-28 downloaded from the CCDC.
;
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_cell_angle_gamma                63.676(3)
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_cell_measurement_temperature    173(2)
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_cell_measurement_theta_min      2.39
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'WinGX publication routines (Farrugia, 2012) and PLATON (Spek, 2009)'
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_diffrn_ambient_temperature      173(2)
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_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
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'Bruker APEX II QUAZAR three-circle diffractometer'
_diffrn_measurement_method       '\f and \w scans'
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2015b)'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0390P)^2^+0.6082P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                3261
_reflns_number_total             3498
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7063068--7063069.cif.'
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_shelx_estimated_absorpt_t_max   0.893
_shelx_res_checksum              3246