The behavior of potassium follows that of calcium in heterobimetallic 'K-H-Al' hydrides on a picolyl-derived chemically non-innocent triaza ligand.
Mandal, Chhotan; Kundu, Abhishek; Panda, Sourav; Mukherjee, Debabrata; Dalton transactions (Cambridge, England : 2003) 55 (2026) 3934–3942; doi:10.1039/d6dt00079g

data_7720149
_publ_section_title
;
 The behavior of potassium follows that of calcium in heterobimetallic
 'K-H-Al' hydrides on a picolyl-derived chemically non-innocent triaza
 ligand.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3934
_journal_page_last               3942
_journal_paper_doi               10.1039/d6dt00079g
_journal_volume                  55
_journal_year                    2026
_chemical_formula_moiety         'C36 H50 Al Li N6'
_chemical_formula_sum            'C36 H50 Al Li N6'
_chemical_formula_weight         600.74
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2025-08-18
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_audit_update_record
;
2025-08-21 deposited with the CCDC.	2026-02-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.6880(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.8615(2)
_cell_length_b                   10.61440(10)
_cell_length_c                   19.4612(3)
_cell_measurement_reflns_used    18827
_cell_measurement_temperature    101(2)
_cell_measurement_theta_max      68.1050
_cell_measurement_theta_min      4.6470
_cell_volume                     3369.24(7)
_computing_cell_refinement       'CrysAlisPro 1.171.43.119a (Rigaku OD, 2024)'
_computing_data_collection       'CrysAlisPro 1.171.43.119a (Rigaku OD, 2024)'
_computing_data_reduction        'CrysAlisPro 1.171.43.119a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      101.15
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix3000
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  t~exp~   \w     \q     \k     \f   Frames
  1  \w   -118.00 -35.00   0.50    1.00    --  -40.58 172.00 -93.00  166
  2  \w    -82.00  -5.00   0.50    1.00    --  -40.58 115.00 124.00  154
  3  \w   -112.00 -43.00   0.50    1.00    --  -40.58-172.00-105.00  138
  4  \w     57.00 118.00   0.50    1.00    --   40.58-172.00-105.00  122
  5  \w     27.00  82.00   0.50    1.00    --   40.58-115.00  35.00  110
  6  \w   -147.00 -79.00   0.50    3.00    --  -82.50-115.00  35.00  136
  7  \w   -121.00 -35.00   0.50    3.00    --  -82.50 172.00 -93.00  172
  8  \w   -134.00 -43.00   0.50    3.00    --  -82.50-172.00-105.00  182
  9  \w    -84.00 -18.00   0.50    3.00    --  -82.50 115.00 124.00  132
 10  \w     57.00 146.00   0.50    3.00    --   96.67-172.00-105.00  178
 11  \w     32.00 109.00   0.50    3.00    --   96.67-115.00  35.00  154
 12  \w    101.00 161.00   0.50    3.00    --   96.67 115.00 124.00  120
 13  \w   -108.00 -27.00   0.50    1.00    --  -40.58 -32.00 120.00  162
 14  \w    -37.00  27.00   0.50    1.00    --  -40.58  32.00  30.00  128
 15  \w    -97.00 -20.00   0.50    1.00    --  -40.58 139.00-150.00  154
 16  \w   -107.00 -20.00   0.50    1.00    --  -40.58 -54.00 -60.00  174
 17  \w    -37.00  27.00   0.50    1.00    --  -40.58  32.00 -60.00  128
 18  \w    -37.00  27.00   0.50    1.00    --  -40.58  32.00 -60.00  128
 19  \w   -108.00 -27.00   0.50    1.00    --  -40.58 -32.00 120.00  162
 20  \w     41.00 100.00   0.50    1.00    --   40.58-139.00-180.00  118
 21  \w    -35.00  24.00   0.50    1.00    --   40.58 -11.00 -90.00  118
 22  \w   -156.00 -83.00   0.50    3.00    --  -82.50 -96.00 150.00  146
 23  \w    -47.00 -15.00   0.50    3.00    --  -82.50  42.00 150.00   64
 24  \w    -47.00 -15.00   0.50    3.00    --  -82.50  42.00 -90.00   64
 25  \w     30.00  57.00   0.50    3.00    --   96.67 -50.00-120.00   54
 26  \w     78.00 163.00   0.50    3.00    --   96.67  50.00 -90.00  170
 27  \w     29.00  68.00   0.50    3.00    --   96.67 -59.00  30.00   78
 28  \w     29.00  83.00   0.50    3.00    --   96.67 -68.00  90.00  108
 29  \w     30.00  57.00   0.50    3.00    --   96.67 -50.00-150.00   54
 30  \w     29.00  68.00   0.50    3.00    --   96.67 -59.00  90.00   78
 31  \w     78.00 163.00   0.50    3.00    --   96.67  50.00 -60.00  170
 32  \w    105.00 170.00   0.50    3.00    --   96.67  96.00 150.00  130
 33  \w     78.00 163.00   0.50    3.00    --   96.67  50.00 -60.00  170
 34  \w     28.00 105.00   0.50    3.00    --   96.67 -77.00  30.00  154
 35  \w     23.00 106.00   0.50    3.00    --   96.67 -96.00  30.00  166
 36  \w     81.00 164.00   0.50    3.00    --   96.67 145.00 -30.00  166
 37  \w     29.00  68.00   0.50    3.00    --   96.67 -59.00  60.00   78
 38  \w     30.00  57.00   0.50    3.00    --   96.67 -50.00 -60.00   54
 39  \w     30.00  57.00   0.50    3.00    --   96.67 -50.00  30.00   54
 40  \w     30.00  57.00   0.50    3.00    --   96.67 -50.00  60.00   54
 41  \w     70.00 165.00   0.50    3.00    --   96.67  77.00-180.00  190
 42  \w   -109.00 -14.00   0.50    1.00    --  -40.58 -77.00-180.00  190
 43  \w   -109.00 -14.00   0.50    1.00    --  -40.58 -77.00  60.00  190
 44  \w   -107.00 -20.00   0.50    1.00    --  -40.58 -54.00  90.00  174
 45  \w   -109.00 -63.00   0.50    1.00    --  -40.58-139.00 -60.00   92
 46  \w   -109.00 -17.00   0.50    1.00    --  -40.58 -66.00-120.00  184
 47  \w   -109.00 -17.00   0.50    1.00    --  -40.58 -66.00   0.00  184
 48  \w   -109.00 -14.00   0.50    1.00    --  -40.58 -77.00  90.00  190
 49  \w     14.00 109.00   0.50    1.00    --   40.58  77.00   0.00  190
 50  \w    -31.00  28.00   0.50    1.00    --   40.58 -21.00-180.00  118
 51  \w     14.00 109.00   0.50    1.00    --   40.58  77.00-150.00  190
 52  \w     14.00 109.00   0.50    1.00    --   40.58  77.00 -90.00  190
 53  \w     83.00 164.00   0.50    3.00    --   96.67  33.00-120.00  162
 54  \w     83.00 164.00   0.50    3.00    --   96.67  33.00  60.00  162
 55  \w     83.00 164.00   0.50    3.00    --   96.67  33.00 120.00  162
 56  \w     30.00  57.00   0.50    3.00    --   96.67 -50.00 -90.00   54
 57  \w     73.00 149.00   0.50    3.00    --   96.67  68.00   0.00  152
 58  \w     23.00 106.00   0.50    3.00    --   96.67 -96.00 -90.00  166
 59  \w     73.00 165.00   0.50    3.00    --   96.67  68.00 -30.00  184
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix3000'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0305
_diffrn_reflns_av_unetI/netI     0.0150
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            23625
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         68.449
_diffrn_reflns_theta_min         4.698
_exptl_absorpt_coefficient_mu    0.776
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.97025
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.119a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear brownish brown'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   brownish
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.184
_exptl_crystal_description       block
_exptl_crystal_F_000             1296
_exptl_crystal_preparation       'SOLVENT DIFFUSION'
_exptl_crystal_size_max          0.235
_exptl_crystal_size_mid          0.132
_exptl_crystal_size_min          0.114
_refine_diff_density_max         0.349
_refine_diff_density_min         -0.257
_refine_diff_density_rms         0.042
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     198
_refine_ls_number_reflns         3072
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0479
_refine_ls_R_factor_gt           0.0455
_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^)+(0.0508P)^2^+3.9713P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1160
_refine_ls_wR_factor_ref         0.1181
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2861
_reflns_number_total             3072
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d6dt00079g2.cif
_cod_data_source_block           rb_sk_cm1_auto
_cod_depositor_comments
'Adding full bibliography for 7720145--7720151.cif.'
_cod_database_code               7720149
_shelx_shelxl_version_number     2019/3
_shelx_estimated_absorpt_t_max   0.917
_shelx_estimated_absorpt_t_min   0.839
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C5(H5)
2.b Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C17(H17A,H17B), C12(H12A,H12B), C15(H15A,H15B)
2.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C2(H2), C3(H3), C8(H8), C7(H7), C11(H11), C10(H10), C9(H9)
2.d Fitted hexagon refined as free rotating group:
 C8(C7,C6,C11,C10,C9)
2.e Idealised Me refined as rotating group:
 C18(H18A,H18B,H18C), C16(H16A,H16B,H16C)
;
_shelx_res_checksum              6631
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;