Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.
Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger; Dalton transactions (Cambridge, England : 2003) 55 (2026) 5151–5160; doi:10.1039/d6dt00059b

data_7720294
_publ_section_title
;
 Expanding the reactivity of Rosenthal's reagent to cyclopropenes and
 allenes.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5151
_journal_page_last               5160
_journal_paper_doi               10.1039/d6dt00059b
_journal_volume                  55
_journal_year                    2026
_chemical_formula_structural     Ti(C5H5)2(C25H22)
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_space_group_name_Hall           '-P 2ybc'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_audit_update_record
;
2025-06-12 deposited with the CCDC.	2026-02-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.1451(18)
_cell_angle_gamma                90
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_cell_length_c                   20.0225(9)
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_cell_measurement_temperature    100(2)
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_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Photon III CPAD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0227
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_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            145565
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_exptl_absorpt_coefficient_mu    0.352
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.9267
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2016/2 (Sheldrick)'
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.281
_exptl_crystal_description       block
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_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.080
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
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_refine_ls_number_parameters     331
_refine_ls_number_reflns         12583
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0442
_refine_ls_R_factor_gt           0.0378
_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^)+(0.0450P)^2^+0.9500P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0968
_refine_ls_wR_factor_ref         0.1004
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11134
_reflns_number_total             12583
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d6dt00059b2.cif
_cod_data_source_block           4c
_cod_depositor_comments
'Adding full bibliography for 7720284--7720301.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7720294
_shelx_shelxl_version_number     2019/3
_shelx_estimated_absorpt_t_min   0.972
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_shelx_res_checksum              3781
_shelx_hkl_checksum              84179