Poly{guanidinium} salts: application in the preparation of a coordinatively saturated aluminium cation.
Aragón Sáez, Pedro J; Oakley, Sarah H; Coles, Martyn P; Hitchcock, Peter B; Chemical communications (Cambridge, England)  (2007) 816–818; doi:10.1039/b611343e

data_7101719
_publ_section_title
;
 Poly{guanidinium} salts: application in the preparation of a
 coordinatively saturated aluminium cation.
;
_journal_issue                   8
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              816
_journal_page_last               818
_journal_paper_doi               10.1039/b611343e
_journal_year                    2007
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C17 H21 Al N6, C24 H20 B, C4 H8 O'
_chemical_formula_sum            'C45 H60 Al B N6 O'
_chemical_formula_weight         738.78
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_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             2005-07-26T10:51:27-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                66.307(1)
_cell_angle_beta                 87.632(1)
_cell_angle_gamma                74.326(1)
_cell_formula_units_Z            4
_cell_length_a                   10.8106(2)
_cell_length_b                   19.9865(4)
_cell_length_c                   21.7023(3)
_cell_measurement_reflns_used    32810
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.022
_cell_measurement_theta_min      3.395
_cell_measurement_wavelength     0.71073
_cell_volume                     4122.18(13)
_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_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_orient_matrix_type       'by Nonius Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      0.953058E-1
_diffrn_orient_matrix_UB_12      -0.172724E-1
_diffrn_orient_matrix_UB_13      0.110623E-1
_diffrn_orient_matrix_UB_21      -0.130727E-1
_diffrn_orient_matrix_UB_22      -0.290071E-1
_diffrn_orient_matrix_UB_23      0.483434E-1
_diffrn_orient_matrix_UB_31      0.54984E-2
_diffrn_orient_matrix_UB_32      -0.457613E-1
_diffrn_orient_matrix_UB_33      -0.93499E-2
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0551
_diffrn_reflns_av_unetI/netI     0.0526
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            55294
_diffrn_reflns_theta_full        25.97
_diffrn_reflns_theta_max         25.97
_diffrn_reflns_theta_min         3.43
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    0.091
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.19
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1592
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.703
_refine_diff_density_min         -0.356
_refine_diff_density_rms         0.046
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.959
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     973
_refine_ls_number_reflns         16005
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      0.963
_refine_ls_R_factor_all          0.0949
_refine_ls_R_factor_gt           0.0607
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0762P)^2^+3.3637P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1455
_refine_ls_wR_factor_ref         0.167
_reflns_number_gt                11181
_reflns_number_total             16005
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b611343e.txt
_cod_data_source_block           jul2105
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7101719