# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_(LiBH4)2(CH3NH2)
_database_code_depnum_ccdc_archive 'CCDC 2279163'
loop_
_audit_author_name
_audit_author_address
'Jakob Grinderslev'
;Aarhus University
Denmark
;
_audit_update_record             
;
2023-07-04 deposited with the CCDC.	2023-08-21 downloaded from the CCDC.
;

#=============================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic        
; ?
;
_chemical_name_common            hemimethylamine_lithium_borohydride
_chemical_formula_moiety         (LiBH4)2(CH3NH2)
_chemical_formula_structural     (LiBH4)2(CH3NH2)
_chemical_formula_analytical     (LiBH4)2(CH3NH2)
_chemical_formula_iupac          (LiBH4)2(CH3NH2)
_chemical_formula_sum            Li2B2CNH13
_chemical_formula_weight         74.62
_chemical_melting_point          ?
_chemical_compound_source        ? # for minerals and 
# natural products

loop_
_atom_type_symbol
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
li 1.12820 3.95460 0.75080 1.05240 0.61750 85.39050 0.46530 168.26100 0.03770
0.00000 0.00000
International_Tables_for_Crystallography_Vol.C(1991)_Tables_6.1.1.4_and_6.1.1.5
b 2.05450 23.21850 1.33260 1.02100 1.09790 60.34980 0.70680 0.14030 -0.19320
0.00000 0.00100
International_Tables_for_Crystallography_Vol.C(1991)_Tables_6.1.1.4_and_6.1.1.5
h 0.49300 10.51090 0.32291 26.12570 0.14019 3.14236 0.04081 57.79970 0.00304
0.00000 0.00000
International_Tables_for_Crystallography_Vol.C(1991)_Tables_6.1.1.4_and_6.1.1.5
n 12.21260 0.00570 3.13220 9.89330 2.01250 28.99750 1.16630 0.58260 -11.52900
0.00400 0.00300
International_Tables_for_Crystallography_Vol.C(1991)_Tables_6.1.1.4_and_6.1.1.5
c 2.31000 20.84390 1.02000 10.20750 1.58860 0.56870 0.86500 51.65120 0.21560
0.00200 0.00200
International_Tables_for_Crystallography_Vol.C(1991)_Tables_6.1.1.4_and_6.1.1.5

#=============================================================================

# 6. POWDER SPECIMEN AND CRYSTAL DATA

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'

loop_
_symmetry_equiv_pos_as_xyz #<--must include 'x,y,z'
x,y,z
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x+1/2,-y,z+1/2
-x,-y,-z
-x+1/2,y+1/2,z+1/2
x,-y+1/2,z
x+1/2,y,-z+1/2

_cell_length_a                   8.98750(6)
_cell_length_b                   4.48136(3)
_cell_length_c                   17.17516(11)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_volume                     691.751(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    293
_cell_special_details            
; ?
;
# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.

_pd_spec_size_axial              ? # perpendicular to 
# equatorial plane
_pd_spec_size_equat              ? # parallel to 
# scattering vector
# in transmission
_pd_spec_size_thick              ? # parallel to 
# scattering vector
# in reflection

# The next five fields are character fields that describe the specimen.

_pd_spec_mounting                
# This field should be
# used to give details of the 
# container.
; ?
;
_pd_spec_mount_mode              ? # options are 'reflection'
# or 'transmission'
_pd_spec_shape                   ? # options are 'cylinder' 
# 'flat_sheet' or 'irregular'
_pd_char_particle_morphology     ?
_pd_char_colour                  ? # use ICDD colour descriptions

# The following three fields describe the preparation of the specimen.
# The cooling rate is in K/min.  The pressure at which the sample was 
# prepared is in kPa.  The temperature of preparation is in K.        

_pd_prep_cool_rate               ?
_pd_prep_pressure                ?
_pd_prep_temperature             ?

# The next four fields are normally only needed for transmission experiments.

_exptl_absorpt_coefficient_mu    ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?

#=============================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           
; ?
;

# The following item is used to identify the equipment used to record 
# the powder pattern when the diffractogram was measured at a laboratory 
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location               
; ?
;
_pd_calibration_special_details  
# description of the method used
# to calibrate the instrument
; ?
;

_diffrn_ambient_temperature      293
_diffrn_source                   
? # Put here: 'rotating-anode X-ray tube' or similar 
_diffrn_radiation_type           Synchrotron
_diffrn_source_target            ? # Put here the chemical symbol of the anode

_diffrn_radiation_monochromator  ?
_diffrn_measurement_device_type  Synchrotron
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_detector                 ?
_diffrn_detector_type            ? # make or model of detector
_pd_meas_scan_method             ? # options are 'step', 'cont',
# 'tof', 'fixed' or
# 'disp' (= dispersive)
_pd_meas_special_details         
;  ?
;

#  The following four items give details of the measured (not processed)
#  powder pattern.  Angles are in degrees.

_pd_meas_number_of_points        10828
_pd_meas_2theta_range_min        1.02240
_pd_meas_2theta_range_max        39.99960
_pd_meas_2theta_range_inc        0.003601

#=============================================================================

# 8. REFINEMENT DATA

_refine_special_details          
; ?
;

# Use the next field to give any special details about the fitting of the
# powder pattern.

_pd_proc_ls_special_details      
; ?
;

# The next three items are given as text.

_pd_proc_ls_profile_function     ?
_pd_proc_ls_background_function  ?
_pd_proc_ls_pref_orient_corr     
; ?
;

#  The following profile R-factors are NOT CORRECTED for background
#  The sum is extended to all non-excluded points.
#  These are the current CIF standard

_pd_proc_ls_prof_R_factor        1.6280
_pd_proc_ls_prof_wR_factor       1.8835
_pd_proc_ls_prof_wR_expected     0.7350

#  The following profile R-factors are CORRECTED for background
#  The sum is extended to all non-excluded points.
#  These items are not in the current CIF standard, but are defined above

_pd_proc_ls_prof_cR_factor       15.2998
_pd_proc_ls_prof_cwR_factor      19.0516
_pd_proc_ls_prof_cwR_expected    7.4346

#  The following items are not in the CIF standard, but are defined above

_pd_proc_ls_prof_chi2            6.5667
_pd_proc_ls_prof_echi2           6.6829
_refine_ls_goodness_of_fit_all   2.791

#  Items related to LS refinement

_refine_ls_R_I_factor            16.2219
_refine_ls_number_reflns         401
_refine_ls_number_parameters     52
_refine_ls_number_restraints     26

# The following four items apply to angular dispersive measurements.
# 2theta minimum, maximum and increment (in degrees) are for the 
# intensities used in the refinement.

_pd_proc_2theta_range_min        1.0236
_pd_proc_2theta_range_max        40.0008
_pd_proc_2theta_range_inc        0.003601
_pd_proc_wavelength              0.708700

_pd_block_diffractogram_id       ? # The id used for the block containing
# the powder pattern profile (section 11)

# Give appropriate details in the next two text fields.

_pd_proc_info_excluded_regions   ?
_pd_proc_info_data_reduction     ?

# The following items are used to identify the programs used.

_computing_data_collection       ?
_computing_structure_solution    ?
_computing_structure_refinement  FULLPROF
_computing_molecular_graphics    ?
_computing_publication_material  ?

#=============================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_adp_type
_atom_site_type_symbol
Li1 0.2794(5) -0.2500 0.1860(3) 0.05142 1.00000 Uiso Li
Li2 0.55798 0.25000 0.14930 0.06221 1.00000 Uiso Li
B1 0.5616(4) -0.2500 0.21942(19) 0.05033 1.00000 Uiso B
H1 0.4592(17) -0.2500 0.2611(8) 0.05302 1.00000 Uiso H
H2 0.6251(10) -0.0351(19) 0.2394(6) 0.05302 1.00000 Uiso H
H3 0.5279(17) -0.2500 0.1553(7) 0.05302 1.00000 Uiso H
B2 0.2886(4) 0.25000 0.11398(19) 0.04516 1.00000 Uiso B
H4 0.3285(16) 0.25000 0.1807(7) 0.04624 1.00000 Uiso H
H5 0.2145(11) 0.0338(19) 0.1021(6) 0.04624 1.00000 Uiso H
H6 0.3884(14) 0.25000 0.0760(8) 0.04624 1.00000 Uiso H
N1 0.7134(3) 0.25000 0.06265(14) 0.07559 1.00000 Uiso N
C1 0.8656(4) 0.25000 0.08573(19) 0.10180 1.00000 Uiso C
H7 0.7097(12) 0.441(2) 0.0306(7) 0.10767 1.00000 Uiso H
H8 0.8814(11) 0.030(2) 0.1192(7) 0.10767 1.00000 Uiso H
H9 0.9367(10) 0.25000 0.0332(9) 0.10767 1.00000 Uiso H

# Note: if the displacement parameters were refined anisotropically
# the U matrices should be given as for single-crystal studies.

#=============================================================================

# 10. DISTANCES AND ANGLES / MOLECULAR GEOMETRY 

_geom_special_details            ?

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
Li1 B1 2.600(6) 1_555 ?
Li1 B1 2.544(6) 2_445 ?
Li1 H1 2.068(15) 1_555 ?
Li1 H1 3.018(16) 2_445 ?
Li1 H2 2.119(10) 2_445 ?
Li1 H2 2.119(10) 8_455 ?
Li1 H3 2.295(16) 1_555 ?
Li1 B2 2.561(3) 1_545 ?
Li1 B2 2.561(3) 1_555 ?
Li1 H4 2.286(3) 1_545 ?
Li1 H4 2.286(3) 1_555 ?
Li1 H5 2.009(10) 1_555 ?
Li1 H5 2.009(10) 7_545 ?
Li1 H6 3.090(10) 1_545 ?
Li1 H6 3.090(10) 1_555 ?
Li2 B1 2.5440(15) 1_555 ?
Li2 B1 2.5440(15) 1_565 ?
Li2 H1 3.082(10) 1_555 ?
Li2 H1 3.082(10) 1_565 ?
Li2 H2 2.095(10) 1_555 ?
Li2 H2 2.095(10) 7_555 ?
Li2 H3 2.2593(19) 1_555 ?
Li2 H3 2.2593(19) 1_565 ?
Li2 B2 2.496(4) 1_555 ?
Li2 H4 2.132(14) 1_555 ?
Li2 H5 3.336(10) 1_555 ?
Li2 H5 3.336(10) 7_555 ?
Li2 H6 1.977(13) 1_555 ?
Li2 N1 2.041(3) 1_555 ?
Li2 C1 2.973(4) 1_555 ?
Li2 H7 2.598(11) 1_555 ?
Li2 H7 2.598(11) 7_555 ?
Li2 H8 3.113(10) 1_555 ?
Li2 H8 3.113(10) 7_555 ?
B1 Li1 2.600(6) 1_555 ?
B1 Li1 2.544(6) 2_545 ?
B1 Li2 2.5440(15) 1_545 ?
B1 Li2 2.5440(15) 1_555 ?
B1 H1 1.166(15) 1_555 ?
B1 H2 1.171(9) 1_555 ?
B1 H2 1.171(9) 7_545 ?
B1 H3 1.142(13) 1_555 ?
B1 H4 3.139(10) 1_545 ?
B1 H4 3.139(10) 1_555 ?
H1 Li1 2.068(15) 1_555 ?
H1 Li1 3.018(16) 2_545 ?
H1 Li2 3.082(10) 1_545 ?
H1 Li2 3.082(10) 1_555 ?
H1 B1 1.166(15) 1_555 ?
H1 H2 1.814(16) 1_555 ?
H1 H2 3.153(17) 2_445 ?
H1 H2 1.814(16) 7_545 ?
H1 H2 3.153(17) 8_455 ?
H1 H3 1.919(19) 1_555 ?
H1 H4 2.882(12) 1_545 ?
H1 H4 2.882(12) 1_555 ?
H1 H8 2.508(16) 2_445 ?
H1 H8 2.508(16) 8_455 ?
H2 Li1 2.119(10) 2_545 ?
H2 Li2 2.095(10) 1_555 ?
H2 B1 1.171(9) 1_555 ?
H2 H1 1.814(16) 1_555 ?
H2 H1 3.153(17) 2_545 ?
H2 H2 1.926(12) 7_545 ?
H2 H2 2.555(12) 7_555 ?
H2 H3 1.943(15) 1_555 ?
H2 B2 3.183(10) 2_555 ?
H2 H4 3.123(16) 1_555 ?
H2 H4 2.619(15) 2_555 ?
H2 H5 2.855(14) 8_555 ?
H2 H8 3.107(14) 1_555 ?
H2 H8 3.283(15) 8_455 ?
H3 Li1 2.295(16) 1_555 ?
H3 Li2 2.2593(19) 1_545 ?
H3 Li2 2.2593(19) 1_555 ?
H3 B1 1.142(13) 1_555 ?
H3 H1 1.919(19) 1_555 ?
H3 H2 1.943(15) 1_555 ?
H3 H2 1.943(15) 7_545 ?
H3 B2 3.186(11) 1_545 ?
H3 B2 3.186(11) 1_555 ?
H3 H4 2.902(13) 1_545 ?
H3 H4 2.902(13) 1_555 ?
H3 H5 3.223(17) 1_555 ?
H3 H5 3.223(17) 7_545 ?
H3 H6 2.906(12) 1_545 ?
H3 H6 2.906(12) 1_555 ?
H3 N1 3.214(10) 1_545 ?
H3 N1 3.214(10) 1_555 ?
H3 H7 3.029(16) 1_545 ?
H3 H7 3.029(16) 7_555 ?
B2 Li1 2.561(3) 1_555 ?
B2 Li1 2.561(3) 1_565 ?
B2 Li2 2.496(4) 1_555 ?
B2 H2 3.183(10) 2_455 ?
B2 H2 3.183(10) 8_455 ?
B2 H3 3.186(11) 1_555 ?
B2 H3 3.186(11) 1_565 ?
B2 H4 1.201(13) 1_555 ?
B2 H5 1.193(9) 1_555 ?
B2 H5 1.193(9) 7_555 ?
B2 H6 1.109(13) 1_555 ?
B2 H7 2.843(12) 3_645 ?
B2 H7 2.843(12) 5_665 ?
H4 Li1 2.286(3) 1_555 ?
H4 Li1 2.286(3) 1_565 ?
H4 Li2 2.132(14) 1_555 ?
H4 B1 3.139(10) 1_555 ?
H4 B1 3.139(10) 1_565 ?
H4 H1 2.882(12) 1_555 ?
H4 H1 2.882(12) 1_565 ?
H4 H2 3.123(16) 1_555 ?
H4 H2 2.619(15) 2_455 ?
H4 H2 3.123(16) 7_555 ?
H4 H2 2.619(15) 8_455 ?
H4 H3 2.902(13) 1_555 ?
H4 H3 2.902(13) 1_565 ?
H4 B2 1.201(13) 1_555 ?
H4 H5 1.952(15) 1_555 ?
H4 H5 1.952(15) 7_555 ?
H4 H6 1.877(18) 1_555 ?
H5 Li1 2.009(10) 1_555 ?
H5 Li2 3.336(10) 1_555 ?
H5 H2 2.855(14) 8_455 ?
H5 H3 3.223(17) 1_555 ?
H5 B2 1.193(9) 1_555 ?
H5 H4 1.952(15) 1_555 ?
H5 H5 2.544(12) 7_545 ?
H5 H5 1.938(12) 7_555 ?
H5 H6 1.893(14) 1_555 ?
H5 N1 3.169(10) 3_645 ?
H5 C1 3.294(10) 1_455 ?
H5 H7 2.415(16) 3_645 ?
H5 H7 3.192(14) 5_655 ?
H5 H7 3.346(14) 5_665 ?
H5 H8 3.008(14) 1_455 ?
H5 H9 2.928(14) 1_455 ?
H5 H9 2.977(16) 3_645 ?
H6 Li1 3.090(10) 1_555 ?
H6 Li1 3.090(10) 1_565 ?
H6 Li2 1.977(13) 1_555 ?
H6 H3 2.906(12) 1_555 ?
H6 H3 2.906(12) 1_565 ?
H6 B2 1.109(13) 1_555 ?
H6 H4 1.877(18) 1_555 ?
H6 H5 1.893(14) 1_555 ?
H6 H5 1.893(14) 7_555 ?
H6 N1 2.930(13) 1_555 ?
H6 H7 3.111(16) 1_555 ?
H6 H7 2.459(16) 3_645 ?
H6 H7 2.459(16) 5_665 ?
H6 H7 3.111(16) 7_555 ?
N1 Li2 2.041(3) 1_555 ?
N1 H3 3.214(10) 1_555 ?
N1 H3 3.214(10) 1_565 ?
N1 H5 3.169(10) 3_655 ?
N1 H5 3.169(10) 5_655 ?
N1 H6 2.930(13) 1_555 ?
N1 C1 1.424(4) 1_555 ?
N1 H7 1.018(10) 1_555 ?
N1 H7 1.018(10) 7_555 ?
N1 H8 2.048(10) 1_555 ?
N1 H8 2.048(10) 7_555 ?
N1 H9 2.070(10) 1_555 ?
C1 Li2 2.973(4) 1_555 ?
C1 H5 3.294(10) 1_655 ?
C1 H5 3.294(10) 7_655 ?
C1 N1 1.424(4) 1_555 ?
C1 H7 1.895(11) 1_555 ?
C1 H7 1.895(11) 7_555 ?
C1 H8 1.150(10) 1_555 ?
C1 H8 1.150(10) 7_555 ?
C1 H9 1.106(14) 1_555 ?
H7 Li2 2.598(11) 1_555 ?
H7 H3 3.029(16) 1_565 ?
H7 B2 2.843(12) 3_655 ?
H7 H5 2.415(16) 3_655 ?
H7 H5 3.192(14) 5_655 ?
H7 H5 3.346(14) 5_665 ?
H7 H6 3.111(16) 1_555 ?
H7 H6 2.459(16) 3_655 ?
H7 N1 1.018(10) 1_555 ?
H7 C1 1.895(11) 1_555 ?
H7 H7 1.712(13) 7_555 ?
H7 H7 2.769(13) 7_565 ?
H7 H8 2.844(15) 1_555 ?
H7 H8 2.171(16) 7_555 ?
H7 H9 2.213(13) 1_555 ?
H8 Li2 3.113(10) 1_555 ?
H8 H1 2.508(16) 2_545 ?
H8 H2 3.107(14) 1_555 ?
H8 H2 3.283(15) 8_555 ?
H8 H5 3.008(14) 1_655 ?
H8 N1 2.048(10) 1_555 ?
H8 C1 1.150(10) 1_555 ?
H8 H7 2.844(15) 1_555 ?
H8 H7 2.171(16) 7_555 ?
H8 H8 2.510(13) 7_545 ?
H8 H8 1.972(13) 7_555 ?
H8 H9 1.844(17) 1_555 ?
H8 H9 3.331(17) 3_745 ?
H9 H5 2.928(14) 1_655 ?
H9 H5 2.977(16) 3_655 ?
H9 H5 2.977(16) 5_655 ?
H9 H5 2.928(14) 7_655 ?
H9 N1 2.070(10) 1_555 ?
H9 C1 1.106(14) 1_555 ?
H9 H7 2.213(13) 1_555 ?
H9 H7 2.213(13) 7_555 ?
H9 H8 1.844(17) 1_555 ?
H9 H8 3.331(17) 3_755 ?
H9 H8 3.331(17) 5_755 ?
H9 H8 1.844(17) 7_555 ?
H9 H9 2.760(10) 3_745 ?
H9 H9 2.760(10) 3_755 ?

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
H1 Li1 H2 97.7(9) 1_555 2_445 ?
H1 Li1 H2 97.7(9) 1_555 8_455 ?
H1 Li1 H3 51.9(7) 1_555 1_555 ?
H1 Li1 H4 82.8(6) 1_555 1_545 ?
H1 Li1 H4 82.8(6) 1_555 1_555 ?
H1 Li1 H5 132.4(10) 1_555 1_555 ?
H1 Li1 H5 132.4(10) 1_555 7_545 ?
H2 Li1 H2 54.0(5) 2_445 8_455 ?
H2 Li1 H3 140.9(10) 2_445 1_555 ?
H2 Li1 H4 72.8(5) 2_445 1_545 ?
H2 Li1 H4 126.6(6) 2_445 1_555 ?
H2 Li1 H5 122.1(8) 2_445 1_555 ?
H2 Li1 H5 87.5(7) 2_445 7_545 ?
H2 Li1 H3 140.9(10) 8_455 1_555 ?
H2 Li1 H4 126.6(6) 8_455 1_545 ?
H2 Li1 H4 72.8(5) 8_455 1_555 ?
H2 Li1 H5 87.5(7) 8_455 1_555 ?
H2 Li1 H5 122.1(8) 8_455 7_545 ?
H3 Li1 H4 78.6(6) 1_555 1_545 ?
H3 Li1 H4 78.6(6) 1_555 1_555 ?
H3 Li1 H5 96.8(8) 1_555 1_555 ?
H3 Li1 H5 96.8(8) 1_555 7_545 ?
H4 Li1 H4 157.26(10) 1_545 1_555 ?
H4 Li1 H5 130.4(6) 1_545 1_555 ?
H4 Li1 H5 53.6(5) 1_545 7_545 ?
H4 Li1 H5 53.6(5) 1_555 1_555 ?
H4 Li1 H5 130.4(6) 1_555 7_545 ?
H5 Li1 H5 78.6(6) 1_555 7_545 ?
H2 Li2 H2 75.1(5) 1_555 7_555 ?
H2 Li2 H3 52.8(4) 1_555 1_555 ?
H2 Li2 H3 127.3(6) 1_555 1_565 ?
H2 Li2 B2 117.3(5) 1_555 1_555 ?
H2 Li2 H4 95.3(8) 1_555 1_555 ?
H2 Li2 H6 133.8(9) 1_555 1_555 ?
H2 Li2 N1 110.0(5) 1_555 1_555 ?
H2 Li2 H3 127.3(6) 7_555 1_555 ?
H2 Li2 H3 52.8(4) 7_555 1_565 ?
H2 Li2 B2 117.3(5) 7_555 1_555 ?
H2 Li2 H4 95.3(8) 7_555 1_555 ?
H2 Li2 H6 133.8(9) 7_555 1_555 ?
H2 Li2 N1 110.0(5) 7_555 1_555 ?
H3 Li2 H3 165.29(7) 1_555 1_565 ?
H3 Li2 B2 84.0(4) 1_555 1_555 ?
H3 Li2 H4 82.7(6) 1_555 1_555 ?
H3 Li2 H6 86.4(6) 1_555 1_555 ?
H3 Li2 N1 96.6(4) 1_555 1_555 ?
H3 Li2 B2 84.0(4) 1_565 1_555 ?
H3 Li2 H4 82.7(6) 1_565 1_555 ?
H3 Li2 H6 86.4(6) 1_565 1_555 ?
H3 Li2 N1 96.6(4) 1_565 1_555 ?
B2 Li2 N1 119.1(2) 1_555 1_555 ?
H4 Li2 H6 54.2(7) 1_555 1_555 ?
H4 Li2 N1 147.8(8) 1_555 1_555 ?
H6 Li2 N1 93.6(7) 1_555 1_555 ?
H1 B1 H2 101.8(15) 1_555 1_555 ?
H1 B1 H2 101.8(15) 1_555 7_545 ?
H1 B1 H3 112.5(18) 1_555 1_555 ?
H2 B1 H2 110.7(12) 1_555 7_545 ?
H2 B1 H3 114.3(15) 1_555 1_555 ?
H2 B1 H3 114.3(15) 7_545 1_555 ?
Li1 H1 B1 103.5(9) 1_555 1_555 ?
Li1 H1 H2 121.0(8) 1_555 1_555 ?
Li1 H1 H2 121.0(8) 1_555 7_545 ?
Li1 H1 H3 70.2(9) 1_555 1_555 ?
H2 H1 H2 64.1(8) 1_555 7_545 ?
H2 H1 H3 62.7(9) 1_555 1_555 ?
H2 H1 H3 62.7(9) 7_545 1_555 ?
Li1 H2 Li2 155.8(4) 2_545 1_555 ?
Li1 H2 B1 97.0(6) 2_545 1_555 ?
Li1 H2 H1 99.9(9) 2_545 1_555 ?
Li1 H2 H2 63.0(5) 2_545 7_545 ?
Li1 H2 H3 121.2(9) 2_545 1_555 ?
Li2 H2 B1 98.3(5) 1_555 1_555 ?
Li2 H2 H1 103.8(7) 1_555 1_555 ?
Li2 H2 H2 127.6(6) 1_555 7_545 ?
Li2 H2 H3 67.9(5) 1_555 1_555 ?
H1 H2 H2 57.9(8) 1_555 7_545 ?
H1 H2 H3 61.3(9) 1_555 1_555 ?
H2 H2 H3 60.3(7) 7_545 1_555 ?
Li1 H3 Li2 97.3(4) 1_555 1_545 ?
Li1 H3 Li2 97.3(4) 1_555 1_555 ?
Li1 H3 B1 92.1(8) 1_555 1_555 ?
Li1 H3 H1 57.9(8) 1_555 1_555 ?
Li1 H3 H2 105.5(7) 1_555 1_555 ?
Li1 H3 H2 105.5(7) 1_555 7_545 ?
Li2 H3 Li2 165.29(7) 1_545 1_555 ?
Li2 H3 B1 90.7(6) 1_545 1_555 ?
Li2 H3 H1 94.7(7) 1_545 1_555 ?
Li2 H3 H2 118.1(6) 1_545 1_555 ?
Li2 H3 H2 59.2(5) 1_545 7_545 ?
Li2 H3 B1 90.7(6) 1_555 1_555 ?
Li2 H3 H1 94.7(7) 1_555 1_555 ?
Li2 H3 H2 59.2(5) 1_555 1_555 ?
Li2 H3 H2 118.1(6) 1_555 7_545 ?
H1 H3 H2 56.0(8) 1_555 1_555 ?
H1 H3 H2 56.0(8) 1_555 7_545 ?
H2 H3 H2 59.4(7) 1_555 7_545 ?
Li2 B2 H4 58.6(8) 1_555 1_555 ?
Li2 B2 H5 125.7(8) 1_555 1_555 ?
Li2 B2 H5 125.7(8) 1_555 7_555 ?
Li2 B2 H6 50.1(9) 1_555 1_555 ?
H4 B2 H5 109.3(14) 1_555 1_555 ?
H4 B2 H5 109.3(14) 1_555 7_555 ?
H4 B2 H6 108.6(17) 1_555 1_555 ?
H5 B2 H5 108.6(11) 1_555 7_555 ?
H5 B2 H6 110.5(14) 1_555 1_555 ?
H5 B2 H6 110.5(14) 7_555 1_555 ?
Li1 H4 Li1 157.26(10) 1_555 1_565 ?
Li1 H4 Li2 101.4(4) 1_555 1_555 ?
Li1 H4 B2 88.9(6) 1_555 1_555 ?
Li1 H4 H5 55.9(5) 1_555 1_555 ?
Li1 H4 H5 114.4(6) 1_555 7_555 ?
Li1 H4 H6 95.4(7) 1_555 1_555 ?
Li1 H4 Li2 101.4(4) 1_565 1_555 ?
Li1 H4 B2 88.9(6) 1_565 1_555 ?
Li1 H4 H5 114.4(6) 1_565 1_555 ?
Li1 H4 H5 55.9(5) 1_565 7_555 ?
Li1 H4 H6 95.4(7) 1_565 1_555 ?
Li2 H4 B2 92.7(7) 1_555 1_555 ?
Li2 H4 H5 109.4(7) 1_555 1_555 ?
Li2 H4 H5 109.4(7) 1_555 7_555 ?
Li2 H4 H6 58.7(8) 1_555 1_555 ?
H5 H4 H5 59.5(7) 1_555 7_555 ?
H5 H4 H6 59.2(8) 1_555 1_555 ?
H5 H4 H6 59.2(8) 7_555 1_555 ?
Li1 H5 B2 103.3(6) 1_555 1_555 ?
Li1 H5 H4 70.5(5) 1_555 1_555 ?
Li1 H5 H5 129.3(7) 1_555 7_555 ?
Li1 H5 H6 104.7(7) 1_555 1_555 ?
Li1 H5 H7 119.1(8) 1_555 3_645 ?
B2 H5 H7 98.3(9) 1_555 3_645 ?
H4 H5 H5 60.2(7) 1_555 7_555 ?
H4 H5 H6 58.4(8) 1_555 1_555 ?
H4 H5 H7 126.2(10) 1_555 3_645 ?
H5 H5 H6 59.2(7) 7_555 1_555 ?
H5 H5 H7 99.9(8) 7_555 3_645 ?
H6 H5 H7 68.4(8) 1_555 3_645 ?
Li2 H6 B2 104.4(8) 1_555 1_555 ?
Li2 H6 H4 67.1(8) 1_555 1_555 ?
Li2 H6 H5 119.1(8) 1_555 1_555 ?
Li2 H6 H5 119.1(8) 1_555 7_555 ?
Li2 H6 H7 138.6(8) 1_555 3_645 ?
Li2 H6 H7 138.6(8) 1_555 5_665 ?
B2 H6 H7 98.5(11) 1_555 3_645 ?
B2 H6 H7 98.5(11) 1_555 5_665 ?
H4 H6 H5 62.4(9) 1_555 1_555 ?
H4 H6 H5 62.4(9) 1_555 7_555 ?
H4 H6 H7 127.6(10) 1_555 3_645 ?
H4 H6 H7 127.6(10) 1_555 5_665 ?
H5 H6 H5 61.6(7) 1_555 7_555 ?
H5 H6 H7 65.9(7) 1_555 3_645 ?
H5 H6 H7 99.7(8) 1_555 5_665 ?
H5 H6 H7 99.7(8) 7_555 3_645 ?
H5 H6 H7 65.9(7) 7_555 5_665 ?
H7 H6 H7 68.5(6) 3_645 5_665 ?
Li2 N1 C1 117.0(3) 1_555 1_555 ?
Li2 N1 H7 111.8(10) 1_555 1_555 ?
Li2 N1 H7 111.8(10) 1_555 7_555 ?
Li2 N1 H8 99.1(5) 1_555 1_555 ?
Li2 N1 H8 99.1(5) 1_555 7_555 ?
Li2 N1 H9 147.3(7) 1_555 1_555 ?
C1 N1 H7 100.5(10) 1_555 1_555 ?
C1 N1 H7 100.5(10) 1_555 7_555 ?
H7 N1 H7 114.4(14) 1_555 7_555 ?
H7 N1 H8 133.2(13) 1_555 1_555 ?
H7 N1 H8 82.9(11) 1_555 7_555 ?
H7 N1 H9 84.2(10) 1_555 1_555 ?
H7 N1 H8 82.9(11) 7_555 1_555 ?
H7 N1 H8 133.2(13) 7_555 7_555 ?
H7 N1 H9 84.2(10) 7_555 1_555 ?
H8 N1 H8 57.5(5) 1_555 7_555 ?
H8 N1 H9 53.2(6) 1_555 1_555 ?
H8 N1 H9 53.2(6) 7_555 1_555 ?
N1 C1 H8 104.9(9) 1_555 1_555 ?
N1 C1 H8 104.9(9) 1_555 7_555 ?
N1 C1 H9 109.1(11) 1_555 1_555 ?
H7 C1 H7 53.7(6) 1_555 7_555 ?
H7 C1 H8 136.7(12) 1_555 1_555 ?
H7 C1 H8 87.4(11) 1_555 7_555 ?
H7 C1 H9 91.1(11) 1_555 1_555 ?
H7 C1 H8 87.4(11) 7_555 1_555 ?
H7 C1 H8 136.7(12) 7_555 7_555 ?
H7 C1 H9 91.1(11) 7_555 1_555 ?
H8 C1 H8 118.0(13) 1_555 7_555 ?
H8 C1 H9 109.7(17) 1_555 1_555 ?
H8 C1 H9 109.7(17) 7_555 1_555 ?
H5 H7 H6 45.7(6) 3_655 3_655 ?
H5 H7 N1 130.2(10) 3_655 1_555 ?
H5 H7 C1 109.9(7) 3_655 1_555 ?
H5 H7 H7 99.9(8) 3_655 7_555 ?
H5 H7 H8 116.8(9) 3_655 7_555 ?
H5 H7 H9 80.0(7) 3_655 1_555 ?
H6 H7 N1 152.6(11) 3_655 1_555 ?
H6 H7 C1 153.0(8) 3_655 1_555 ?
H6 H7 H7 124.3(8) 3_655 7_555 ?
H6 H7 H8 138.0(10) 3_655 7_555 ?
H6 H7 H9 124.3(8) 3_655 1_555 ?
N1 H7 C1 47.6(7) 1_555 1_555 ?
N1 H7 H8 69.4(9) 1_555 7_555 ?
N1 H7 H9 68.5(8) 1_555 1_555 ?
C1 H7 H7 63.2(7) 1_555 7_555 ?
H7 H7 H8 93.4(9) 7_555 7_555 ?
H7 H7 H9 67.2(7) 7_555 1_555 ?
H8 H7 H9 49.7(7) 7_555 1_555 ?
N1 H8 H8 61.2(6) 1_555 7_555 ?
N1 H8 H9 64.0(7) 1_555 1_555 ?
C1 H8 H7 60.7(8) 1_555 7_555 ?
H7 H8 H8 86.6(8) 7_555 7_555 ?
H7 H8 H9 66.3(8) 7_555 1_555 ?
H8 H8 H9 57.7(8) 7_555 1_555 ?
N1 H9 H8 62.8(7) 1_555 1_555 ?
N1 H9 H8 62.8(7) 1_555 7_555 ?
C1 H9 H7 58.9(9) 1_555 1_555 ?
C1 H9 H7 58.9(9) 1_555 7_555 ?
H7 H9 H7 45.5(6) 1_555 7_555 ?
H7 H9 H8 88.5(9) 1_555 1_555 ?
H7 H9 H8 64.0(8) 1_555 7_555 ?
H7 H9 H8 64.0(8) 7_555 1_555 ?
H7 H9 H8 88.5(9) 7_555 7_555 ?
H8 H9 H8 64.6(8) 1_555 7_555 ?
