Synthesis and reactivity of a dipyrrinatolithium complex.
Cipot-Wechsler, Judy; Ali, Adeeb Al-Sheikh; Chapman, Erin E.; Cameron, T. Stanley; Thompson, Alison; Inorganic chemistry 46 (2007) 10947–10949; doi:10.1021/ic701369h

data_4339127
_publ_section_title
;
 Synthesis and reactivity of a dipyrrinatolithium complex.
;
_journal_issue                   26
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10947
_journal_page_last               10949
_journal_paper_doi               10.1021/ic701369h
_journal_volume                  46
_journal_year                    2007
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'
_chemical_formula_moiety         'C25 H39 Li N2 O2 '
_chemical_formula_sum            'C25 H39 Li N2 O2'
_chemical_formula_weight         406.54
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   9.0304(6)
_cell_length_b                   11.7223(8)
_cell_length_c                   22.488(2)
_cell_measurement_reflns_used    7710
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      72.4
_cell_measurement_theta_min      2.4
_cell_volume                     2380.5(3)
_computing_cell_refinement       PROCESS
_computing_data_collection       PROCESS
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.531
_diffrn_measurement_device_type  'Rigaku RAXIS-UNKNOWN'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.148
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -53
_diffrn_reflns_number            23346
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         72.49
_exptl_absorpt_coefficient_mu    0.070
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow-orange
_exptl_crystal_density_diffrn    1.134
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocl
_exptl_crystal_F_000             888.00
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.35
_refine_diff_density_min         -0.33
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  1818 Friedel Pairs'
_refine_ls_abs_structure_Flack   -1(5)
_refine_ls_extinction_coef       270(104)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.155
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     275
_refine_ls_number_reflns         1391
_refine_ls_R_factor_gt           0.0689
_refine_ls_shift/su_max          0.0032
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    29.5329    -23.7567    21.7305
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0708
_reflns_number_gt                1391
_reflns_number_total             4399
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic701369h-file004.cif
_cod_data_source_block           '__Judy1a'
_cod_original_formula_sum        'C25 H39 Li N2 O2 '
_cod_database_code               4339127