Tris(2-dimethylaminoethyl)amine: a simple new tripodal polyamine ligand for Group 1 metals.
Cousins, David M.; Davidson, Matthew G.; Frankis, Catherine J.; García-Vivó, Daniel; Mahon, Mary F.; Dalton transactions (Cambridge, England : 2003) 39 (2010) 8278–8280; doi:10.1039/c0dt00567c

data_7026649
_publ_section_title
;
 Tris(2-dimethylaminoethyl)amine: a simple new tripodal polyamine ligand
 for Group 1 metals.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8278
_journal_page_last               8280
_journal_paper_doi               10.1039/c0dt00567c
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C21 H41 N4 Na O, C9 H12 O'
_chemical_formula_sum            'C30 H53 N4 Na O2'
_chemical_formula_weight         524.75
_chemical_name_common            h08mgd07
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2008-07-15T18:26:02-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 95.970(2)
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   25.6660(11)
_cell_length_b                   25.9020(13)
_cell_length_c                   19.7360(10)
_cell_measurement_reflns_used    131127
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.028
_cell_measurement_theta_min      2.91
_cell_volume                     13049.3(11)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.959
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_orient_matrix_type       'by Nonius Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      -0.0269997
_diffrn_orient_matrix_UB_12      -0.0244674
_diffrn_orient_matrix_UB_13      0.0141441
_diffrn_orient_matrix_UB_21      -0.0080816
_diffrn_orient_matrix_UB_22      -0.0113135
_diffrn_orient_matrix_UB_23      -0.0483967
_diffrn_orient_matrix_UB_31      0.0272102
_diffrn_orient_matrix_UB_32      -0.0276384
_diffrn_orient_matrix_UB_33      0.0072895
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1894
_diffrn_reflns_av_unetI/netI     0.1277
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            43029
_diffrn_reflns_theta_full        25.14
_diffrn_reflns_theta_max         25.14
_diffrn_reflns_theta_min         3.1
_exptl_absorpt_coefficient_mu    0.078
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.068
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             4608.0
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.244
_refine_diff_density_min         -0.263
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.04
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     764
_refine_ls_number_reflns         11197
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.04
_refine_ls_R_factor_all          0.2107
_refine_ls_R_factor_gt           0.1052
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1051P)^2^+53.9328P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2532
_refine_ls_wR_factor_ref         0.3379
_reflns_number_gt                5119
_reflns_number_total             11197
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00567c.txt
_cod_data_source_block           Compound3h08mgd07
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C30 H53 N4 Na O2 '
_cod_database_code               7026649