Synthesis and N-C bond cleavage reactions for cyclic phosphazenium dications.
Miao, Linkun; Yeganeh-Salman, Amir; Yeung, Jason; Stephan, Douglas W.; Dalton transactions (Cambridge, England : 2003) 54 (2024) 368–375; doi:10.1039/d4dt02990a

data_7717492
_publ_section_title
;
 Synthesis and N-C bond cleavage reactions for cyclic phosphazenium
 dications.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              368
_journal_page_last               375
_journal_paper_doi               10.1039/d4dt02990a
_journal_volume                  54
_journal_year                    2024
_chemical_formula_moiety         'C30 H24 N P2, Cl'
_chemical_formula_sum            'C30 H24 Cl N P2'
_chemical_formula_weight         495.89
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
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Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_audit_update_record
;
2024-10-09 deposited with the CCDC.	2024-11-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_exptl_crystal_description       block
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0302P)^2^+1.4918P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                3638
_reflns_number_total             4414
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt02990a2.cif
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_cod_depositor_comments
'Adding full bibliography for 7717491--7717494.cif.'
_cod_database_code               7717492
_shelx_shelxl_version_number     2018/3
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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:
 C4(H4), C7(H7), C8(H8), C9(H9), C11(H11), C13(H13), C14(H14), C15(H15),
 C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23),
  C24(H24), C25(H25), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30), C31(H31)
;
_shelx_res_checksum              75536
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_olex2_submission_special_instructions 'No special instructions were received'