Crystal structure of (2,6-diisopropyl-phenyl)-(6-(2,6-dimethyl-phenyl)- pyridin-2-yl)-amine-(2,6-diisopropylphenyl)-(6-(2,6-dimethyl-phenyl)- pyridin-2-yl)-amidolithium, Li(C~25~H~29~N~2~)(C~25~H~30~N~2~)
Espiga Ayuso, Andrea; Noor, Awal; Irrgang, Torsten; Glatz, Germund; Kempe, Rhett; Zeitschrift für Kristallographie - New Crystal Structures 222 (2007) 281–283; doi:

data_8102152
_publ_section_title
;
Crystal structure of (2,6-diisopropyl-phenyl)-(6-(2,6-dimethyl-phenyl)-
pyridin-2-yl)-amine-(2,6-diisopropylphenyl)-(6-(2,6-dimethyl-phenyl)-
pyridin-2-yl)-amidolithium, Li(C~25~H~29~N~2~)(C~25~H~30~N~2~)
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              281
_journal_page_last               283
_journal_volume                  222
_journal_year                    2007
_chemical_formula_structural     Li(C25H29N2)(C25H30N2)
_chemical_formula_sum            'C50 H59 Li N4'
_chemical_formula_weight         722.95
_chemical_name_systematic
;(2,6-diisopropyl-phenyl)-[6-(2,6-dimethyl-phenyl)-pyridin-2-yl]-amine-
(2,6-diisopropyl-phenyl)-[6-(2,6-dimethyl-phenyl)-pyridin-2-yl]-amido-lithium
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.178(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.7120(8)
_cell_length_b                   19.4700(16)
_cell_length_c                   20.6810(19)
_cell_measurement_reflns_used    all
_cell_measurement_temperature    173(2)
_cell_volume                     4301.8(6)
_computing_data_collection       X-AREA-STOE
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Stoe IPDS II'
_diffrn_measurement_method       omega
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.1427
_diffrn_reflns_av_sigmaI/netI    0.1909
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            39055
_diffrn_reflns_theta_full        25.78
_diffrn_reflns_theta_max         25.78
_diffrn_reflns_theta_min         1.44
_exptl_absorpt_coefficient_mu    0.064
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.116
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1560
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.173
_refine_diff_density_min         -0.150
_refine_diff_density_rms         0.037
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.861
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     504
_refine_ls_number_reflns         7985
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.861
_refine_ls_R_factor_all          0.1871
_refine_ls_R_factor_gt           0.0651
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0297P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0919
_refine_ls_wR_factor_ref         0.1147
_reflns_number_gt                3281
_reflns_number_total             7985
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-2047.cff
_cod_data_source_block           k441m
_cod_original_sg_symbol_H-M      P12(1)/n1
_cod_database_code               8102152
_cell_measurement_2theta_min     2.88
_cell_measurement_2theta_max     51.51