Phosphorus–nitrogen compounds: part 68. Synthesis, characterization, stereogenism, photophysical and bioactivity studies of novel unsymmetrical dispiro(N/N)cyclotriphosphazenes with carbazolyl and 4-chlorobenzyl pendant arms
Cemaloğlu, Reşit; Asmafiliz, Nuran; Kılıç, Zeynel; Çoşut, Bünyemin; Sabah, Büşra Nur; Açık, Leyla; Çerçi, Nebahat Aytuna; Hökelek, Tuncer; New Journal of Chemistry 47 (2023) 1900–1915; doi:10.1039/D2NJ05010B

data_7062159
_publ_section_title
;
 Phosphorus--nitrogen compounds: part 68. Synthesis, characterization,
 stereogenism, photophysical and bioactivity studies of novel
 unsymmetrical dispiro(N/N)cyclotriphosphazenes with carbazolyl and
 4-chlorobenzyl pendant arms
;
_journal_issue                   4
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1900
_journal_page_last               1915
_journal_paper_doi               10.1039/D2NJ05010B
_journal_volume                  47
_journal_year                    2023
_chemical_formula_moiety         'C29 H36 Cl3 N8 P3'
_chemical_formula_sum            'C29 H36 Cl3 N8 P3'
_chemical_formula_weight         695.92
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-09-28 deposited with the CCDC.	2022-12-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.125(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
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_cell_length_b                   8.9587(3)
_cell_length_c                   21.5431(5)
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_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.94
_cell_measurement_theta_min      2.35
_cell_volume                     6511.0(3)
_computing_cell_refinement       '<i>SAINT</i> (Bruker, 2012)'
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_computing_data_reduction        <i>SAINT</i>
_computing_molecular_graphics    '<i>ORTEP-3</i> for Windows (Farrugia, 2012)'
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'WinGX publication routines (Farrugia, 2012) and PLATON (Spek, 2009)'
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_computing_structure_solution    '<i>SHELXS97</i> (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type
'Bruker APEX II QUAZAR three-circle diffractometer'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0480
_diffrn_reflns_av_unetI/netI     0.0460
_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_h_min       -42
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_exptl_absorpt_coefficient_mu    0.464
_exptl_absorpt_correction_type   none
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_exptl_crystal_density_diffrn    1.420
_exptl_crystal_description       block
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_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         7459
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0694
_refine_ls_R_factor_gt           0.0489
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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^)+(0.0591P)^2^+11.5011P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1302
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5679
_reflns_number_total             7459
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7062159--7062160.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7062159
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_shelx_estimated_absorpt_t_min   0.893
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