Reaction of Cp*(Cl)M(Diene) (M = Ti, Hf) with Isonitriles.
Valadez, Travis N.; Norton, Jack R.; Neary, Michelle C.; Journal of the American Chemical Society 137 (2015) 10152–10155; doi:10.1021/jacs.5b06654

data_4124253
_publ_section_title
;
 Reaction of Cp*(Cl)M(Diene) (M = Ti, Hf) with Isonitriles.
;
_journal_issue                   32
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10152
_journal_page_last               10155
_journal_paper_doi               10.1021/jacs.5b06654
_journal_volume                  137
_journal_year                    2015
_chemical_formula_moiety         'C38 H55 Cl N2 Ti'
_chemical_formula_sum            'C38 H55 Cl N2 Ti'
_chemical_formula_weight         623.19
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
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_diffrn_measured_fraction_theta_max 1.008
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_exptl_absorpt_coefficient_mu    0.362
_exptl_absorpt_correction_T_max  .7461
_exptl_absorpt_correction_T_min  .5061
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            green-orange
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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^)+(0.1737P)^2^+12.0162P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           travisti
_cod_depositor_comments
'Adding full bibliography for 4124253--4124254.cif.'
_cod_database_code               4124253
_shelx_estimated_absorpt_t_min   0.896
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