# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_LLi
_database_code_depnum_ccdc_archive 'CCDC 2409944'
loop_
_audit_author_name
_audit_author_address
'Nicolas Casaretto'
;CNRS Ecole Polytechnique
France
;
_audit_update_record             
;
2024-12-12 deposited with the CCDC.	2025-02-21 downloaded from the CCDC.
;
_audit_creation_date             2020-02-14
_audit_creation_method           
;
Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.057(C30 H63 Li3 N6)'
_chemical_formula_sum            'C1.71 H3.60 Li0.17 N0.34'
_chemical_formula_weight         30.21
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   16.5502(14)
_cell_length_b                   11.7796(10)
_cell_length_c                   19.403(2)
_cell_angle_alpha                90
_cell_angle_beta                 114.049(3)
_cell_angle_gamma                90
_cell_volume                     3454.3(6)
_cell_formula_units_Z            70
_cell_measurement_reflns_used    3672
_cell_measurement_temperature    149.99
_cell_measurement_theta_max      23.65
_cell_measurement_theta_min      2.19
_shelx_estimated_absorpt_T_max   0.991
_shelx_estimated_absorpt_T_min   0.981
_exptl_absorpt_coefficient_mu    0.059
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.7109
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0656 before and 0.0582 after correction.
The Ratio of minimum to maximum transmission is 0.9535.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.017
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0607
_diffrn_reflns_av_unetI/netI     0.0423
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            23662
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.731
_diffrn_reflns_theta_min         2.695
_diffrn_ambient_temperature      149.99
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           31.0
_diffrn_source_power             1.705
_diffrn_source_voltage           55.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2631
_reflns_number_total             3662
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.444
_refine_diff_density_min         -0.223
_refine_diff_density_rms         0.041
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     202
_refine_ls_number_reflns         3662
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0804
_refine_ls_R_factor_gt           0.0528
_refine_ls_restrained_S_all      1.031
_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/[σ²(Fo²)+(0.0630P)²+3.1789P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1318
_refine_ls_wR_factor_ref         0.1503
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C00E-H00P \\sim C00E-H00T
 with sigma of 0.02
 C00E-H00R \\sim C00E-H00S
 with sigma of 0.02
 C00E-H00Q \\sim C00E-H00U
 with sigma of 0.02
3. Others
 Sof(H00S)=Sof(H00T)=Sof(H00U)=1-FVAR(1)
 Sof(H00P)=Sof(H00Q)=Sof(H00R)=FVAR(1)
 Fixed Sof: H00A(0.5) H00B(0.5) H00C(0.5)
4.a Idealised Me refined as rotating group:
 C007(H00A,H00B,H00C), C009(H00D,H00E,H00F), C00A(H00G,H00H,H00I), C00C(H00J,
 H00K,H00L), C00D(H00M,H00N,H00O), C00E(H00P,H00Q,H00R), C00F(H00V,H00W,H00X),
 C00G(H00Y,H,HA), C00H(H00Z,HB,HC), C00I(H00,HD,HE), C00J(H1,HF,HG)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
N001 N 0.47385(9) 0.46765(11) 0.68595(7) 0.0229(3) Uani 1 1 d . . . . .
N002 N 0.47089(10) 0.81362(12) 0.64136(8) 0.0276(3) Uani 1 1 d . . . . .
N003 N 0.59680(9) 0.72270(12) 0.70676(8) 0.0286(3) Uani 1 1 d . . . . .
C004 C 0.500000 0.40851(18) 0.750000 0.0209(5) Uani 1 2 d S T P . .
C005 C 0.55571(11) 0.79703(14) 0.65186(9) 0.0263(4) Uani 1 1 d . . . . .
C006 C 0.40896(12) 0.89190(14) 0.58522(10) 0.0294(4) Uani 1 1 d . . . . .
C007 C 0.500000 0.27945(19) 0.750000 0.0291(5) Uani 1 2 d S T P . .
H00A H 0.449872 0.251722 0.705317 0.044 Uiso 0.5 1 calc R U P A -1
H00B H 0.494759 0.251723 0.795623 0.044 Uiso 0.5 1 calc R U P A -1
H00C H 0.555369 0.251723 0.749060 0.044 Uiso 0.5 1 calc R U P A -1
C008 C 0.43513(11) 0.41717(14) 0.60935(9) 0.0257(4) Uani 1 1 d . . . . .
C009 C 0.41596(13) 0.51971(15) 0.55584(9) 0.0326(4) Uani 1 1 d . . . . .
H00D H 0.375641 0.571945 0.565475 0.049 Uiso 1 1 calc R U . . .
H00E H 0.388558 0.493432 0.503409 0.049 Uiso 1 1 calc R U . . .
H00F H 0.471463 0.559038 0.564573 0.049 Uiso 1 1 calc R U . . .
C00A C 0.49818(13) 0.34032(16) 0.58991(10) 0.0348(4) Uani 1 1 d . . . . .
H00G H 0.556480 0.376378 0.607096 0.052 Uiso 1 1 calc R U . . .
H00H H 0.474395 0.328878 0.535167 0.052 Uiso 1 1 calc R U . . .
H00I H 0.503781 0.266798 0.615085 0.052 Uiso 1 1 calc R U . . .
C00B C 0.68861(12) 0.68158(15) 0.72979(10) 0.0328(4) Uani 1 1 d . . . . .
C00C C 0.34608(13) 0.35761(17) 0.59017(11) 0.0399(5) Uani 1 1 d . . . . .
H00J H 0.355379 0.288795 0.620848 0.060 Uiso 1 1 calc R U . . .
H00K H 0.320036 0.337145 0.536566 0.060 Uiso 1 1 calc R U . . .
H00L H 0.305978 0.408870 0.600867 0.060 Uiso 1 1 calc R U . . .
C00D C 0.75937(13) 0.77473(18) 0.75617(13) 0.0441(5) Uani 1 1 d . . . . .
H00M H 0.756113 0.819749 0.712640 0.066 Uiso 1 1 calc R U . . .
H00N H 0.818062 0.739885 0.780255 0.066 Uiso 1 1 calc R U . . .
H00O H 0.749186 0.824123 0.792493 0.066 Uiso 1 1 calc R U . . .
C00E C 0.59917(14) 0.85626(18) 0.60664(11) 0.0408(5) Uani 1 1 d D . . . .
H00P H 0.553803 0.879125 0.557559 0.061 Uiso 0.66(3) 1 calc DR U P B 1
H00Q H 0.641066 0.804373 0.598983 0.061 Uiso 0.66(3) 1 calc DR U P B 1
H00R H 0.630790 0.923647 0.634081 0.061 Uiso 0.66(3) 1 calc DR U P B 1
C00F C 0.38638(15) 0.85840(18) 0.50325(10) 0.0463(5) Uani 1 1 d . . . . .
H00V H 0.438363 0.869682 0.491920 0.069 Uiso 1 1 calc R U . . .
H00W H 0.337560 0.905682 0.469520 0.069 Uiso 1 1 calc R U . . .
H00X H 0.368744 0.778369 0.495806 0.069 Uiso 1 1 calc R U . . .
C00G C 0.70480(14) 0.60169(19) 0.79543(12) 0.0473(5) Uani 1 1 d . . . . .
H00Y H 0.699623 0.643716 0.837031 0.071 Uiso 1 1 calc R U . . .
H H 0.764328 0.569270 0.812407 0.071 Uiso 1 1 calc R U . . .
HA H 0.660910 0.540468 0.779252 0.071 Uiso 1 1 calc R U . . .
C00H C 0.43686(16) 1.01606(16) 0.59940(13) 0.0528(6) Uani 1 1 d . . . . .
H00Z H 0.449813 1.035466 0.651967 0.079 Uiso 1 1 calc R U . . .
HB H 0.388826 1.064396 0.565669 0.079 Uiso 1 1 calc R U . . .
HC H 0.489864 1.028118 0.589666 0.079 Uiso 1 1 calc R U . . .
C00I C 0.69873(15) 0.6110(2) 0.66671(13) 0.0524(6) Uani 1 1 d . . . . .
H00 H 0.653969 0.550779 0.650427 0.079 Uiso 1 1 calc R U . . .
HD H 0.757871 0.576942 0.685893 0.079 Uiso 1 1 calc R U . . .
HE H 0.690754 0.660367 0.623774 0.079 Uiso 1 1 calc R U . . .
C00J C 0.32329(15) 0.8802(2) 0.59669(14) 0.0566(6) Uani 1 1 d . . . . .
H1 H 0.301589 0.802042 0.585810 0.085 Uiso 1 1 calc R U . . .
HF H 0.278695 0.932271 0.562558 0.085 Uiso 1 1 calc R U . . .
HG H 0.334646 0.898959 0.649049 0.085 Uiso 1 1 calc R U . . .
Li0K Li 0.4857(2) 0.6308(2) 0.67253(17) 0.0356(7) Uani 1 1 d . . . . .
Li0L Li 0.500000 0.8085(4) 0.750000 0.0667(19) Uani 1 2 d S T P . .
H00S H 0.574(3) 0.930(3) 0.586(3) 0.011(13) Uiso 0.34(3) 1 d D . P B 2
H00T H 0.581(4) 0.810(4) 0.559(2) 0.026(16) Uiso 0.34(3) 1 d D . P B 2
H00U H 0.6643(13) 0.852(4) 0.631(2) 0.007(13) Uiso 0.34(3) 1 d D . P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
N001 C004 1.3337(17) . ?
N001 C008 1.482(2) . ?
N001 Li0K 1.960(3) . ?
N002 C005 1.348(2) . ?
N002 C006 1.476(2) . ?
N002 Li0K 2.223(3) . ?
N002 Li0L 1.9624(14) . ?
N003 C005 1.332(2) . ?
N003 C00B 1.480(2) . ?
N003 Li0K 2.000(3) . ?
N003 Li0L 2.321(3) . ?
C004 C007 1.520(3) . ?
C005 C00E 1.513(2) . ?
C006 C00F 1.530(3) . ?
C006 C00H 1.525(3) . ?
C006 C00J 1.528(3) . ?
C007 H00A 0.9800 . ?
C007 H00B 0.9800 . ?
C007 H00C 0.9800 . ?
C008 C009 1.539(2) . ?
C008 C00A 1.540(2) . ?
C008 C00C 1.535(2) . ?
C009 H00D 0.9800 . ?
C009 H00E 0.9800 . ?
C009 H00F 0.9800 . ?
C00A H00G 0.9800 . ?
C00A H00H 0.9800 . ?
C00A H00I 0.9800 . ?
C00B C00D 1.533(3) . ?
C00B C00G 1.517(3) . ?
C00B C00I 1.544(3) . ?
C00C H00J 0.9800 . ?
C00C H00K 0.9800 . ?
C00C H00L 0.9800 . ?
C00D H00M 0.9800 . ?
C00D H00N 0.9800 . ?
C00D H00O 0.9800 . ?
C00E H00P 0.9800 . ?
C00E H00Q 0.9800 . ?
C00E H00R 0.9800 . ?
C00E H00S 0.983(19) . ?
C00E H00T 1.006(19) . ?
C00E H00U 0.987(19) . ?
C00F H00V 0.9800 . ?
C00F H00W 0.9800 . ?
C00F H00X 0.9800 . ?
C00G H00Y 0.9800 . ?
C00G H 0.9800 . ?
C00G HA 0.9800 . ?
C00H H00Z 0.9800 . ?
C00H HB 0.9800 . ?
C00H HC 0.9800 . ?
C00I H00 0.9800 . ?
C00I HD 0.9800 . ?
C00I HE 0.9800 . ?
C00J H1 0.9800 . ?
C00J HF 0.9800 . ?
C00J HG 0.9800 . ?
Li0K Li0K 2.846(6) 2_656 ?
Li0K Li0L 2.530(5) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C004 N001 C008 124.64(13) . . ?
C004 N001 Li0K 128.60(14) . . ?
C008 N001 Li0K 106.62(13) . . ?
C005 N002 C006 124.70(14) . . ?
C005 N002 Li0K 79.98(13) . . ?
C005 N002 Li0L 92.78(10) . . ?
C006 N002 Li0K 140.58(14) . . ?
C006 N002 Li0L 127.23(15) . . ?
Li0L N002 Li0K 74.11(16) . . ?
C005 N003 C00B 125.70(14) . . ?
C005 N003 Li0K 89.39(13) . . ?
C005 N003 Li0L 78.48(12) . . ?
C00B N003 Li0K 127.98(14) . . ?
C00B N003 Li0L 143.95(11) . . ?
Li0K N003 Li0L 71.26(13) . . ?
N001 C004 N001 117.02(19) 2_656 . ?
N001 C004 C007 121.49(9) 2_656 . ?
N001 C004 C007 121.49(9) . . ?
N002 C005 C00E 123.88(16) . . ?
N003 C005 N002 112.15(14) . . ?
N003 C005 C00E 123.97(16) . . ?
N002 C006 C00F 114.10(14) . . ?
N002 C006 C00H 113.46(16) . . ?
N002 C006 C00J 104.05(14) . . ?
C00H C006 C00F 111.27(16) . . ?
C00H C006 C00J 106.89(17) . . ?
C00J C006 C00F 106.26(17) . . ?
C004 C007 H00A 109.5 . . ?
C004 C007 H00B 109.5 . . ?
C004 C007 H00C 109.5 . . ?
H00A C007 H00B 109.5 . . ?
H00A C007 H00C 109.5 . . ?
H00B C007 H00C 109.5 . . ?
N001 C008 C009 104.33(13) . . ?
N001 C008 C00A 114.97(14) . . ?
N001 C008 C00C 113.99(13) . . ?
C009 C008 C00A 105.67(14) . . ?
C00C C008 C009 106.36(15) . . ?
C00C C008 C00A 110.58(15) . . ?
C008 C009 H00D 109.5 . . ?
C008 C009 H00E 109.5 . . ?
C008 C009 H00F 109.5 . . ?
H00D C009 H00E 109.5 . . ?
H00D C009 H00F 109.5 . . ?
H00E C009 H00F 109.5 . . ?
C008 C00A H00G 109.5 . . ?
C008 C00A H00H 109.5 . . ?
C008 C00A H00I 109.5 . . ?
H00G C00A H00H 109.5 . . ?
H00G C00A H00I 109.5 . . ?
H00H C00A H00I 109.5 . . ?
N003 C00B C00D 114.66(15) . . ?
N003 C00B C00G 105.35(15) . . ?
N003 C00B C00I 111.51(15) . . ?
C00D C00B C00I 109.61(16) . . ?
C00G C00B C00D 108.31(16) . . ?
C00G C00B C00I 106.99(17) . . ?
C008 C00C H00J 109.5 . . ?
C008 C00C H00K 109.5 . . ?
C008 C00C H00L 109.5 . . ?
H00J C00C H00K 109.5 . . ?
H00J C00C H00L 109.5 . . ?
H00K C00C H00L 109.5 . . ?
C00B C00D H00M 109.5 . . ?
C00B C00D H00N 109.5 . . ?
C00B C00D H00O 109.5 . . ?
H00M C00D H00N 109.5 . . ?
H00M C00D H00O 109.5 . . ?
H00N C00D H00O 109.5 . . ?
C005 C00E H00P 109.5 . . ?
C005 C00E H00Q 109.5 . . ?
C005 C00E H00R 109.5 . . ?
C005 C00E H00S 115(3) . . ?
C005 C00E H00T 105(3) . . ?
C005 C00E H00U 112(2) . . ?
H00P C00E H00Q 109.5 . . ?
H00P C00E H00R 109.5 . . ?
H00Q C00E H00R 109.5 . . ?
H00S C00E H00T 101(4) . . ?
H00S C00E H00U 116(4) . . ?
H00T C00E H00U 106(4) . . ?
C006 C00F H00V 109.5 . . ?
C006 C00F H00W 109.5 . . ?
C006 C00F H00X 109.5 . . ?
H00V C00F H00W 109.5 . . ?
H00V C00F H00X 109.5 . . ?
H00W C00F H00X 109.5 . . ?
C00B C00G H00Y 109.5 . . ?
C00B C00G H 109.5 . . ?
C00B C00G HA 109.5 . . ?
H00Y C00G H 109.5 . . ?
H00Y C00G HA 109.5 . . ?
H C00G HA 109.5 . . ?
C006 C00H H00Z 109.5 . . ?
C006 C00H HB 109.5 . . ?
C006 C00H HC 109.5 . . ?
H00Z C00H HB 109.5 . . ?
H00Z C00H HC 109.5 . . ?
HB C00H HC 109.5 . . ?
C00B C00I H00 109.5 . . ?
C00B C00I HD 109.5 . . ?
C00B C00I HE 109.5 . . ?
H00 C00I HD 109.5 . . ?
H00 C00I HE 109.5 . . ?
HD C00I HE 109.5 . . ?
C006 C00J H1 109.5 . . ?
C006 C00J HF 109.5 . . ?
C006 C00J HG 109.5 . . ?
H1 C00J HF 109.5 . . ?
H1 C00J HG 109.5 . . ?
HF C00J HG 109.5 . . ?
N001 Li0K N002 168.55(19) . . ?
N001 Li0K N003 127.93(18) . . ?
N001 Li0K Li0K 80.93(10) . 2_656 ?
N001 Li0K Li0L 136.24(16) . . ?
N002 Li0K Li0K 103.87(9) . 2_656 ?
N002 Li0K Li0L 48.23(9) . . ?
N003 Li0K N002 63.30(10) . . ?
N003 Li0K Li0K 85.09(14) . 2_656 ?
N003 Li0K Li0L 60.29(9) . . ?
Li0L Li0K Li0K 55.78(9) . 2_656 ?
N002 Li0L N002 176.5(3) . 2_656 ?
N002 Li0L N003 119.88(11) 2_656 . ?
N002 Li0L N003 119.88(11) . 2_656 ?
N002 Li0L N003 61.88(7) 2_656 2_656 ?
N002 Li0L N003 61.88(7) . . ?
N002 Li0L C005 146.77(6) . 2_656 ?
N002 Li0L C005 33.59(6) 2_656 2_656 ?
N002 Li0L Li0K 125.9(2) . 2_656 ?
N002 Li0L Li0K 57.66(11) 2_656 2_656 ?
N002 Li0L Li0K 125.9(2) 2_656 . ?
N002 Li0L Li0K 57.66(11) . . ?
N003 Li0L N003 128.4(2) . 2_656 ?
N003 Li0L C005 142.75(17) . 2_656 ?
N003 Li0L C005 32.41(5) 2_656 2_656 ?
N003 Li0L Li0K 48.45(11) 2_656 2_656 ?
N003 Li0L Li0K 48.45(11) . . ?
N003 Li0L Li0K 86.76(16) 2_656 . ?
N003 Li0L Li0K 86.76(16) . 2_656 ?
C005 Li0L Li0K 57.53(10) 2_656 2_656 ?
C005 Li0L Li0K 116.44(18) 2_656 . ?
Li0K Li0L Li0K 68.44(18) 2_656 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C004 N001 C008 C009 179.62(12) . . . . ?
C004 N001 C008 C00A -65.13(19) . . . . ?
C004 N001 C008 C00C 64.04(19) . . . . ?
C005 N002 C006 C00F 65.2(2) . . . . ?
C005 N002 C006 C00H -63.6(2) . . . . ?
C005 N002 C006 C00J -179.42(17) . . . . ?
C005 N003 C00B C00D 59.4(2) . . . . ?
C005 N003 C00B C00G 178.41(16) . . . . ?
C005 N003 C00B C00I -65.9(2) . . . . ?
C006 N002 C005 N003 179.32(15) . . . . ?
C006 N002 C005 C00E -0.5(3) . . . . ?
C008 N001 C004 N001 -174.21(16) . . . 2_656 ?
C008 N001 C004 C007 5.79(16) . . . . ?
C00B N003 C005 N002 176.80(15) . . . . ?
C00B N003 C005 C00E -3.4(3) . . . . ?
Li0K N001 C004 N001 10.75(14) . . . 2_656 ?
Li0K N001 C004 C007 -169.24(14) . . . . ?
Li0K N001 C008 C009 -4.42(17) . . . . ?
Li0K N001 C008 C00A 110.83(17) . . . . ?
Li0K N001 C008 C00C -120.01(17) . . . . ?
Li0K N002 C005 N003 -34.39(14) . . . . ?
Li0K N002 C005 C00E 145.76(18) . . . . ?
Li0K N002 C006 C00F -55.4(3) . . . . ?
Li0K N002 C006 C00H 175.8(2) . . . . ?
Li0K N002 C006 C00J 60.0(3) . . . . ?
Li0K N003 C005 N002 38.20(16) . . . . ?
Li0K N003 C005 C00E -141.96(18) . . . . ?
Li0K N003 C00B C00D -177.60(17) . . . . ?
Li0K N003 C00B C00G -58.6(2) . . . . ?
Li0K N003 C00B C00I 57.1(2) . . . . ?
Li0L N002 C005 N003 38.93(19) . . . . ?
Li0L N002 C005 C00E -140.9(2) . . . . ?
Li0L N002 C006 C00F -167.89(17) . . . . ?
Li0L N002 C006 C00H 63.3(2) . . . . ?
Li0L N002 C006 C00J -52.5(2) . . . . ?
Li0L N003 C005 N002 -32.80(14) . . . . ?
Li0L N003 C005 C00E 147.05(18) . . . . ?
Li0L N003 C00B C00D -65.3(3) . . . . ?
Li0L N003 C00B C00G 53.7(3) . . . . ?
Li0L N003 C00B C00I 169.4(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_LGaCl2
_database_code_depnum_ccdc_archive 'CCDC 2409945'
loop_
_audit_author_name
_audit_author_address
'Nicolas Casaretto'
;CNRS Ecole Polytechnique
France
;
_audit_update_record             
;
2024-12-12 deposited with the CCDC.	2025-02-21 downloaded from the CCDC.
;
_audit_creation_date             2020-06-03
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C10 H21 Cl2 Ga N2'
_chemical_formula_sum            'C10 H21 Cl2 Ga N2'
_chemical_formula_weight         309.91
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   8.1083(10)
_cell_length_b                   11.6422(13)
_cell_length_c                   15.6810(18)
_cell_angle_alpha                90
_cell_angle_beta                 96.471(4)
_cell_angle_gamma                90
_cell_volume                     1470.8(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2452
_cell_measurement_temperature    150.0
_cell_measurement_theta_max      23.677
_cell_measurement_theta_min      2.183
_shelx_estimated_absorpt_T_max   0.843
_shelx_estimated_absorpt_T_min   0.504
_exptl_absorpt_coefficient_mu    2.209
_exptl_absorpt_correction_T_max  0.7468
_exptl_absorpt_correction_T_min  0.6291
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0831 before and 0.0646 after correction.
The Ratio of minimum to maximum transmission is 0.8424.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.400
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             640
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0795
_diffrn_reflns_av_unetI/netI     0.0552
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            22842
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.128
_diffrn_reflns_theta_min         2.614
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           31.0
_diffrn_source_power             1.705
_diffrn_source_voltage           55.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2940
_reflns_number_total             3948
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.464
_refine_diff_density_min         -0.534
_refine_diff_density_rms         0.092
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     143
_refine_ls_number_reflns         3948
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0349
_refine_ls_restrained_S_all      1.016
_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/[σ²(Fo²)+(0.0213P)²+1.0824P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0731
_refine_ls_wR_factor_ref         0.0840
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2.a Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C10(H10A,H10B,H10C), C3(H3A,H3B,H3C), C2(H2A,H2B,H2C),
 C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ga1 Ga 0.48281(3) 0.29309(2) 0.59417(2) 0.02036(8) Uani 1 1 d . . . . .
Cl1 Cl 0.30317(8) 0.37837(6) 0.50401(4) 0.03229(16) Uani 1 1 d . . . . .
Cl2 Cl 0.37380(10) 0.14871(7) 0.65307(5) 0.04162(19) Uani 1 1 d . . . . .
N1 N 0.6375(3) 0.38650(17) 0.66820(12) 0.0194(4) Uani 1 1 d . . . . .
N2 N 0.7065(3) 0.28123(18) 0.56263(13) 0.0212(4) Uani 1 1 d . . . . .
C1 C 0.6335(3) 0.4567(2) 0.74631(15) 0.0215(5) Uani 1 1 d . . . . .
C9 C 0.7624(3) 0.3548(2) 0.62512(15) 0.0180(5) Uani 1 1 d . . . . .
C5 C 0.7857(3) 0.2360(2) 0.48919(15) 0.0214(5) Uani 1 1 d . . . . .
C4 C 0.4532(4) 0.4520(3) 0.76612(18) 0.0318(6) Uani 1 1 d . . . . .
H4A H 0.380327 0.481743 0.716984 0.048 Uiso 1 1 calc R U . . .
H4B H 0.440781 0.498911 0.816882 0.048 Uiso 1 1 calc R U . . .
H4C H 0.423068 0.372293 0.777180 0.048 Uiso 1 1 calc R U . . .
C10 C 0.9390(3) 0.3929(2) 0.64398(17) 0.0276(6) Uani 1 1 d . . . . .
H10A H 1.001203 0.336065 0.680834 0.041 Uiso 1 1 calc R U . . .
H10B H 0.942778 0.467329 0.673336 0.041 Uiso 1 1 calc R U . . .
H10C H 0.988775 0.400298 0.590108 0.041 Uiso 1 1 calc R U . . .
C3 C 0.6781(4) 0.5820(2) 0.73077(18) 0.0321(6) Uani 1 1 d . . . . .
H3A H 0.794625 0.586979 0.720066 0.048 Uiso 1 1 calc R U . . .
H3B H 0.661065 0.627902 0.781445 0.048 Uiso 1 1 calc R U . . .
H3C H 0.607098 0.611505 0.680841 0.048 Uiso 1 1 calc R U . . .
C2 C 0.7467(4) 0.4061(3) 0.82153(16) 0.0325(7) Uani 1 1 d . . . . .
H2A H 0.718061 0.325273 0.829064 0.049 Uiso 1 1 calc R U . . .
H2B H 0.731993 0.448845 0.874001 0.049 Uiso 1 1 calc R U . . .
H2C H 0.862544 0.411892 0.809751 0.049 Uiso 1 1 calc R U . . .
C6 C 0.9384(3) 0.1629(2) 0.51860(18) 0.0280(6) Uani 1 1 d . . . . .
H6A H 1.024600 0.211597 0.548855 0.042 Uiso 1 1 calc R U . . .
H6B H 0.980626 0.127958 0.468518 0.042 Uiso 1 1 calc R U . . .
H6C H 0.907718 0.102365 0.557281 0.042 Uiso 1 1 calc R U . . .
C7 C 0.8296(4) 0.3325(3) 0.42995(18) 0.0365(7) Uani 1 1 d . . . . .
H7A H 0.729389 0.376664 0.410564 0.055 Uiso 1 1 calc R U . . .
H7B H 0.875491 0.299700 0.380148 0.055 Uiso 1 1 calc R U . . .
H7C H 0.911964 0.383271 0.461105 0.055 Uiso 1 1 calc R U . . .
C8 C 0.6536(4) 0.1586(3) 0.4413(2) 0.0416(8) Uani 1 1 d . . . . .
H8A H 0.624143 0.097302 0.479621 0.062 Uiso 1 1 calc R U . . .
H8B H 0.697344 0.124788 0.391235 0.062 Uiso 1 1 calc R U . . .
H8C H 0.554680 0.204310 0.422378 0.062 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ga1 Cl1 2.1546(7) . ?
Ga1 Cl2 2.1550(8) . ?
Ga1 N1 1.943(2) . ?
Ga1 N2 1.938(2) . ?
Ga1 C9 2.375(2) . ?
N1 C1 1.476(3) . ?
N1 C9 1.331(3) . ?
N2 C9 1.341(3) . ?
N2 C5 1.477(3) . ?
C1 C4 1.529(4) . ?
C1 C3 1.529(4) . ?
C1 C2 1.528(3) . ?
C9 C10 1.497(3) . ?
C5 C6 1.530(4) . ?
C5 C7 1.526(4) . ?
C5 C8 1.530(4) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl1 Ga1 Cl2 111.17(3) . . ?
Cl1 Ga1 C9 123.63(6) . . ?
Cl2 Ga1 C9 125.19(6) . . ?
N1 Ga1 Cl1 118.51(7) . . ?
N1 Ga1 Cl2 116.67(6) . . ?
N1 Ga1 C9 34.09(8) . . ?
N2 Ga1 Cl1 116.64(7) . . ?
N2 Ga1 Cl2 119.65(7) . . ?
N2 Ga1 N1 68.45(8) . . ?
N2 Ga1 C9 34.37(8) . . ?
C1 N1 Ga1 137.11(16) . . ?
C9 N1 Ga1 91.04(15) . . ?
C9 N1 C1 131.6(2) . . ?
C9 N2 Ga1 90.96(14) . . ?
C9 N2 C5 131.0(2) . . ?
C5 N2 Ga1 136.53(16) . . ?
N1 C1 C4 105.1(2) . . ?
N1 C1 C3 111.6(2) . . ?
N1 C1 C2 111.1(2) . . ?
C4 C1 C3 108.4(2) . . ?
C2 C1 C4 109.5(2) . . ?
C2 C1 C3 111.0(2) . . ?
N1 C9 Ga1 54.87(12) . . ?
N1 C9 N2 109.5(2) . . ?
N1 C9 C10 125.7(2) . . ?
N2 C9 Ga1 54.67(12) . . ?
N2 C9 C10 124.8(2) . . ?
C10 C9 Ga1 179.5(2) . . ?
N2 C5 C6 111.8(2) . . ?
N2 C5 C7 111.3(2) . . ?
N2 C5 C8 104.5(2) . . ?
C7 C5 C6 110.9(2) . . ?
C7 C5 C8 109.5(2) . . ?
C8 C5 C6 108.6(2) . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ga1 N1 C1 C4 -2.8(3) . . . . ?
Ga1 N1 C1 C3 -120.1(2) . . . . ?
Ga1 N1 C1 C2 115.5(3) . . . . ?
Ga1 N1 C9 N2 -1.1(2) . . . . ?
Ga1 N1 C9 C10 -180.0(2) . . . . ?
Ga1 N2 C9 N1 1.1(2) . . . . ?
Ga1 N2 C9 C10 180.0(2) . . . . ?
Ga1 N2 C5 C6 -133.8(2) . . . . ?
Ga1 N2 C5 C7 101.5(3) . . . . ?
Ga1 N2 C5 C8 -16.5(3) . . . . ?
C1 N1 C9 Ga1 175.0(3) . . . . ?
C1 N1 C9 N2 173.9(2) . . . . ?
C1 N1 C9 C10 -5.0(4) . . . . ?
C9 N1 C1 C4 -175.4(2) . . . . ?
C9 N1 C1 C3 67.3(3) . . . . ?
C9 N1 C1 C2 -57.1(3) . . . . ?
C9 N2 C5 C6 64.2(3) . . . . ?
C9 N2 C5 C7 -60.4(3) . . . . ?
C9 N2 C5 C8 -178.5(3) . . . . ?
C5 N2 C9 Ga1 167.7(3) . . . . ?
C5 N2 C9 N1 168.8(2) . . . . ?
C5 N2 C9 C10 -12.3(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'



# ===END
