The direct and reversible hydrogenation of activated aluminium supported by piperidine.
Sandig-Predzymirska, Lesia; Ortmeyer, Jochen; Wagler, Jörg; Brendler, Erica; Habermann, Franziska; Anders, Martin; Felderhoff, Michael; Mertens, Florian; Dalton transactions (Cambridge, England : 2003) 49 (2020) 17689–17698; doi:10.1039/d0dt03175e

data_7705821
_publ_section_title
;
 The direct and reversible hydrogenation of activated aluminium supported
 by piperidine.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17689
_journal_page_last               17698
_journal_paper_doi               10.1039/d0dt03175e
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C30 H60 Al2 N6'
_chemical_formula_sum            'C30 H60 Al2 N6'
_chemical_formula_weight         558.80
_chemical_properties_physical    Moisture-sensitive,Hygroscopic
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-07-14 deposited with the CCDC.	2020-11-13 downloaded from the CCDC.
;
_cell_angle_alpha                95.138(8)
_cell_angle_beta                 90.659(8)
_cell_angle_gamma                108.065(8)
_cell_formula_units_Z            1
_cell_length_a                   8.6112(9)
_cell_length_b                   8.8513(9)
_cell_length_c                   10.9777(10)
_cell_measurement_reflns_used    9082
_cell_measurement_temperature    160(2)
_cell_measurement_theta_max      27.25
_cell_measurement_theta_min      2.89
_cell_volume                     791.60(14)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    SHELXS
_diffrn_ambient_temperature      160(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Stoe IPDS-2T'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0387
_diffrn_reflns_av_unetI/netI     0.0335
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            10488
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.000
_diffrn_reflns_theta_min         2.887
_exptl_absorpt_coefficient_mu    0.121
_exptl_absorpt_correction_T_max  0.9916
_exptl_absorpt_correction_T_min  0.9696
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   XShape
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.172
_exptl_crystal_description       piece
_exptl_crystal_F_000             308
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.304
_refine_diff_density_min         -0.264
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     172
_refine_ls_number_reflns         3419
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0638
_refine_ls_R_factor_gt           0.0417
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0456P)^2^+0.4586P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1006
_refine_ls_wR_factor_ref         0.1124
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2618
_reflns_number_total             3419
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt03175e2.cif
_cod_data_source_block           lp_271118_01
_cod_depositor_comments
'Adding full bibliography for 7705820--7705821.cif.'
_cod_database_code               7705821
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.965
_shelx_estimated_absorpt_t_max   0.988
_shelx_res_checksum              56048