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_7720146
_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         'C54 H100 Al2 K2 N8 Si4, C6 H14'
_chemical_formula_sum            'C60 H114 Al2 K2 N8 Si4'
_chemical_formula_weight         1192.11
_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   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                111.533(2)
_cell_angle_beta                 99.527(2)
_cell_angle_gamma                96.346(2)
_cell_formula_units_Z            1
_cell_length_a                   11.0463(7)
_cell_length_b                   11.9570(7)
_cell_length_c                   14.8732(8)
_cell_measurement_reflns_used    6738
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.690
_cell_measurement_theta_min      1.882
_cell_volume                     1770.46(18)
_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 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100.00
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART CCD 6000 area detector'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0379
_diffrn_reflns_av_unetI/netI     0.0174
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            95178
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.690
_diffrn_reflns_theta_min         1.882
_exptl_absorpt_coefficient_mu    0.266
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'clear greenish green'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   greenish
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.118
_exptl_crystal_description       block
_exptl_crystal_F_000             650
_exptl_crystal_size_max          0.0126
_exptl_crystal_size_mid          0.0124
_exptl_crystal_size_min          0.0122
_exptl_transmission_factor_max   0.997
_exptl_transmission_factor_min   0.997
_refine_diff_density_max         1.396
_refine_diff_density_min         -0.915
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         6738
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0510
_refine_ls_R_factor_gt           0.0491
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0595P)^2^+2.2848P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1301
_refine_ls_wR_factor_ref         0.1322
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6418
_reflns_number_total             6738
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d6dt00079g2.cif
_cod_data_source_block           dmcmmesalk
_cod_depositor_comments
'Adding full bibliography for 7720145--7720151.cif.'
_cod_database_code               7720146
_shelx_shelxl_version_number     2019/3
_shelx_estimated_absorpt_t_max   0.997
_shelx_estimated_absorpt_t_min   0.997
_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:
 C4(H4), C2(H2), C3(H3)
2.b Secondary CH2 refined with riding coordinates:
 C16(H16A,H16B), C17(H17A,H17B), C15(H15A,H15B), C18(H18A,H18B), C20(H20A,
 H20B), C30(H30A,H30B), C29(H29A,H29B)
2.c Aromatic/amide H refined with riding coordinates:
 C12(H12), C9(H9)
2.d Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C), C22(H22A,H22B,H22C), C8(H8A,H8B,H8C), C19(H19A,H19B,
 H19C), C23(H23A,H23B,H23C), C26(H26A,H26B,H26C), C14(H14A,H14B,H14C), C27(H27A,
 H27B,H27C), C11(H11A,H11B,H11C), C24(H24A,H24B,H24C), C21(H21A,H21B,H21C),
 C28(H28A,H28B,H28C)
;
_shelx_res_checksum              89798
_olex2_submission_special_instructions 'No special instructions were received'