Iminophosphonamido stannylenes enable quantitative CO<sub>2</sub> conversion to isocyanates.
Takahashi, Shintaro; Ishii, Akihiko; Nakata, Norio; Chemical communications (Cambridge, England) 61 (2025) 15389–15392; doi:10.1039/d5cc04149j

data_7134955
_publ_section_title
;
 Iminophosphonamido stannylenes enable quantitative CO<sub>2</sub>
 conversion to isocyanates.
;
_journal_issue                   79
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              15389
_journal_page_last               15392
_journal_paper_doi               10.1039/d5cc04149j
_journal_volume                  61
_journal_year                    2025
_chemical_formula_moiety         'C35 H54 N3 P Si Sn'
_chemical_formula_sum            'C35 H54 N3 P Si Sn'
_chemical_formula_weight         694.56
_space_group_crystal_system      triclinic
_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-2018/1
_audit_update_record
;
2025-07-17 deposited with the CCDC.	2025-09-05 downloaded from the CCDC.
;
_cell_angle_alpha                72.5070(10)
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_cell_angle_gamma                69.5630(10)
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_cell_volume                     1826.93(18)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
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_computing_molecular_graphics    'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_publication_material  'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
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_computing_structure_solution    'SHELXL-2018/1 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.539
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_crystal_colour            colorless
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_exptl_crystal_density_meas      ?
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_exptl_crystal_description       prism
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_refine_ls_matrix_type           full
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_refine_ls_restrained_S_all      1.017
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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^)+(0.0439P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0794
_refine_ls_wR_factor_ref         0.0814
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4411
_reflns_number_total             4842
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5cc04149j2.cif
_cod_data_source_block           456
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7134952--7134956.cif.
;
_cod_database_code               7134955
_shelx_shelxl_version_number     2018/1
_shelx_estimated_absorpt_t_min   0.756
_shelx_estimated_absorpt_t_max   0.924
_shelx_res_checksum              79044
_shelx_hkl_checksum              8352