Synthesis of diaminoacetylene from cyanido ligands of the octacyanidotungstate complex
Szklarzewicz, Janusz; Hodorowicz, Maciej; Jurowska, Anna; New Journal of Chemistry 48 (2024) 13196–13205; doi:10.1039/D4NJ02448F

data_7063341
_publ_section_title
;
 Synthesis of diaminoacetylene from cyanido ligands of the
 octacyanidotungstate complex
;
_journal_issue                   29
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              13196
_journal_page_last               13205
_journal_paper_doi               10.1039/D4NJ02448F
_journal_volume                  48
_journal_year                    2024
_chemical_formula_sum            'C56 H46 N8 O2 P2 W'
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_audit_update_record
;
2023-10-03 deposited with the CCDC.	2024-07-04 downloaded from the CCDC.
;
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_diffrn_reflns_Laue_measured_fraction_full 0.997
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_diffrn_source                   'micro-focus sealed X-ray tube'
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.100a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.450
_exptl_crystal_description       prism
_exptl_crystal_F_000             2232
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.227
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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 2018)'
_refine_ls_goodness_of_fit_ref   1.062
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_refine_ls_restrained_S_all      1.062
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_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0659P)^2^+4.0381P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1043
_refine_ls_wR_factor_ref         0.1072
_reflns_Friedel_coverage         0.000
_reflns_number_gt                18471
_reflns_number_total             20086
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4nj02448f2.cif
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_cod_depositor_comments
'Adding full bibliography for 7063341--7063343.cif.'
_cod_database_code               7063341
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.304
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_shelx_hkl_checksum              82042