The reactivity of N-heterocyclic diphospholenes towards iron triad carbonyls
Kazakov, Gennady G.; Druzhkov, Nikolay O.; Rumyantcev, Roman V.; Fukin, Georgy K.; Starikov, Andrey G.; Piskunov, Alexandr V.; Cherkasov, Vladimir K.; New Journal of Chemistry 47 (2023) 5953–5960; doi:10.1039/D3NJ00450C

data_7062340
_publ_section_title
;
 The reactivity of N-heterocyclic diphospholenes towards iron triad
 carbonyls
;
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              5953
_journal_page_last               5960
_journal_paper_doi               10.1039/D3NJ00450C
_journal_volume                  47
_journal_year                    2023
_chemical_formula_moiety         'C82 H84 Fe2 N4 O6 P2, C4 H10 O'
_chemical_formula_sum            'C86 H94 Fe2 N4 O7 P2'
_chemical_formula_weight         1469.29
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
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_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-02-27 deposited with the CCDC.	2023-03-02 downloaded from the CCDC.
;
_cell_angle_alpha                78.315(2)
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_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku OD Xcalibur (CCD)'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_number            58766
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_exptl_absorpt_process_details
;
CrysAlis Pro 1.171.40.68a. Numerical absorption correction
based on gaussian integration over a multifaceted crystal model.
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            purple
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_exptl_crystal_description       prism
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         15135
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_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0805
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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^)+(0.0520P)^2^+1.2025P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1052
_refine_ls_wR_factor_ref         0.1170
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10779
_reflns_number_total             15135
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3nj00450c3.cif
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_cod_depositor_comments
'Adding full bibliography for 7062340--7062343.cif.'
_cod_database_code               7062340
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.851
_shelx_estimated_absorpt_t_max   0.894
_shelx_res_checksum              78567
_shelx_hkl_checksum              25650