# Electronic Supplementary Material (ESI) for Energy & Environmental Science # This journal is © The Royal Society of Chemistry 2012 data_global _journal_coden_Cambridge 1148 _journal_volume ? _journal_page_first ? _journal_year ? loop_ _publ_author_name 'He, Teng' 'Chen, Ping' _publ_contact_author_name 'Dr Teng He' _publ_contact_author_email heteng@dicp.ac.cn _publ_section_title ; Borohydride Hydrazinates: High Hydrogen Content Materials for Hydrogen Storage ; # Attachment '- CIF-1LIB1N.txt' data_1LIB1N_publ _database_code_depnum_ccdc_archive 'CCDC 855617' #TrackingRef '- CIF-1LIB1N.txt' _audit_creation_method 'from EXP file using GSAS2CIF' _audit_creation_date 2011-07-01T11:28 _pd_phase_name LiBH4_N2H4 _cell_length_a 12.1653(16) _cell_length_b 6.7288(8) _cell_length_c 10.3724(11) _cell_angle_alpha 90.0 _cell_angle_beta 104.751(5) _cell_angle_gamma 90.0 _cell_volume 821.08(17) _cell_measurement_temperature 298 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C 1 c 1' loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z 2 +x,-y,+z+1/2 101 +x+1/2,+y+1/2,+z 102 +x+1/2,-y+1/2,+z+1/2 loop_ _atom_type_symbol _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c _atom_type_scat_source B 8.0 0.000 0.000 2.05450 23.2185 1.33260 1.02100 1.09790 60.3498 0.70680 0.14030 -0.1932 International_Tables_Vol_C H 64.0 0.000 0.000 0.49300 10.5109 0.32291 26.1257 0.14019 3.14236 0.04081 57.7997 0.00304 International_Tables_Vol_C N 16.0 0.000 0.000 12.2126 0.00570 3.13220 9.89330 2.01250 28.9975 1.16630 0.58260 -11.529 International_Tables_Vol_C Li 8.0 0.000 0.000 1.12820 3.95460 0.75080 1.05240 0.61750 85.3905 0.46530 168.261 0.03770 International_Tables_Vol_C _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Cu K\a' _diffrn_measurement_device_type Bruker_D8 _diffrn_radiation_wavelength_wt 1.00 _diffrn_radiation_wavelength 1.5406 _diffrn_ambient_temperature 298 _pd_proc_ls_prof_R_factor 0.0371 _pd_proc_ls_prof_wR_factor 0.0475 _pd_proc_ls_prof_wR_expected 0.0274 _refine_ls_R_Fsqd_factor 0.10167 _exptl_absorpt_correction_T_min 1.00000 _exptl_absorpt_correction_T_max 1.00000 _gsas_exptl_extinct_corr_T_min 1.00000 _gsas_exptl_extinct_corr_T_max 1.00000 _pd_proc_ls_peak_cutoff 0.01000 _pd_proc_info_datetime 2011-07-01T11:28:27 _pd_calc_method 'Rietveld Refinement' _pd_meas_2theta_range_min 10.018 _pd_meas_2theta_range_max 79.932 _pd_meas_2theta_range_inc 0.026 _pd_proc_2theta_range_min 10.09409 _pd_proc_2theta_range_max 80.00809 _pd_proc_2theta_range_inc 0.026 _pd_meas_number_of_points 2690 _pd_proc_number_of_points 2690 _refine_ls_shift/su_max 0.02 _refine_ls_shift/su_mean 0.01 _computing_structure_refinement GSAS _refine_ls_number_parameters 26 _refine_ls_goodness_of_fit_all 1.74 _refine_ls_number_restraints 0 _refine_ls_matrix_type full _reflns_number_total 498 _reflns_limit_h_min 0 _reflns_limit_h_max 10 _reflns_limit_k_min 0 _reflns_limit_k_max 5 _reflns_limit_l_min -8 _reflns_limit_l_max 8 _reflns_d_resolution_high 1.204 _reflns_d_resolution_low 5.882 loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_thermal_displace_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity B B1 0.136(1) 0.209(1) 0.689(1) 1.0 Uiso 0.01086 4 H H1 0.209(1) 0.111(1) 0.766(1) 1.0 Uiso 0.01086 4 H H2 0.162(1) 0.386(1) 0.702(1) 1.0 Uiso 0.01086 4 H H3 0.044(1) 0.184(1) 0.714(1) 1.0 Uiso 0.01086 4 H H4 0.130(1) 0.157(1) 0.574(1) 1.0 Uiso 0.01086 4 B B2 0.385(1) 0.297(1) 0.482(1) 1.0 Uiso 0.01086 4 H H5 0.330(1) 0.431(1) 0.415(1) 1.0 Uiso 0.01086 4 H H6 0.327(1) 0.218(1) 0.549(1) 1.0 Uiso 0.01086 4 H H7 0.471(1) 0.366(1) 0.555(1) 1.0 Uiso 0.01086 4 H H8 0.410(1) 0.174(1) 0.407(1) 1.0 Uiso 0.01086 4 N N1 0.195(1) 0.287(1) 0.0283(8) 1.0 Uiso 0.04895 4 N N2 0.307(1) 0.211(1) 0.0917(8) 1.0 Uiso 0.04895 4 H H9 0.139(1) 0.231(1) 0.078(1) 1.0 Uiso 0.04895 4 H H10 0.171(1) 0.231(1) -0.0671(8) 1.0 Uiso 0.04895 4 H H11 0.305(1) 0.058(1) 0.090(1) 1.0 Uiso 0.04895 4 H H12 0.331(1) 0.267(1) 0.1872(8) 1.0 Uiso 0.04895 4 Li Li1 0.191(1) 0.605(1) 0.026(1) 1.0 Uiso 0.01514 4 N N3 0.452(1) 0.803(1) 0.3620(7) 1.0 Uiso 0.04895 4 N N4 0.563(1) 0.831(1) 0.3368(7) 1.0 Uiso 0.04895 4 H H13 0.399(1) 0.745(1) 0.2771(7) 1.0 Uiso 0.04895 4 H H14 0.421(2) 0.941(1) 0.377(1) 1.0 Uiso 0.04895 4 H H15 0.555(2) 0.923(1) 0.2555(8) 1.0 Uiso 0.04895 4 H H16 0.595(2) 0.693(1) 0.321(1) 1.0 Uiso 0.04895 4 Li Li2 0.460(1) 0.614(2) 0.529(1) 1.0 Uiso 0.01514 4 _chemical_formula_sum 'B H8 Li N2' _chemical_formula_weight 53.83 _cell_formula_units_Z 8 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag B1 H1 1.225 . 1_555 N B1 H2 1.225 . 1_555 N B1 H3 1.225 . 1_555 N B1 H4 1.225 . 1_555 N B1 Li1 2.334(14) . 2_565 N B1 Li2 2.437(16) . 101_445 N H1 B1 1.225 . 1_555 N H2 B1 1.225 . 1_555 N H2 Li1 1.947(15) . 2_565 N H3 B1 1.225 . 1_555 N H3 Li2 1.987(15) . 101_445 N H4 B1 1.225 . 1_555 N H4 Li1 1.885(12) . 2_565 N H4 Li2 2.022(17) . 101_445 N B2 H5 1.225 . 1_555 N B2 H6 1.225 . 1_555 N B2 H7 1.225 . 1_555 N B2 H8 1.225 . 1_555 N B2 Li1 2.600(17) . 2_565 N B2 Li2 2.322(15) . 1_555 N H5 B2 1.225 . 1_555 N H5 Li1 2.288(17) . 2_565 N H5 Li2 2.113(16) . 1_555 N H6 B2 1.225 . 1_555 N H6 H11 1.939(10) . 2_555 N H6 Li1 2.003(15) . 2_565 N H7 B2 1.225 . 1_555 N H7 Li2 1.690(15) . 1_555 N H8 B2 1.225 . 1_555 N H8 H14 1.607(10) . 1_545 N N1 N2 1.452 . 1_555 N N1 H9 1.030 . 1_555 N N1 H10 1.030 . 1_555 N N1 Li1 2.1400 . 1_555 N N2 N1 1.452 . 1_555 N N2 H11 1.030 . 1_555 N N2 H12 1.030 . 1_555 N N2 Li2 2.427(17) . 2_564 N H9 N1 1.030 . 1_555 N H9 Li1 2.683(11) . 1_555 N H10 N1 1.030 . 1_555 N H10 Li1 2.684(10) . 1_555 N H11 H6 1.948(22) . 2_554 N H11 N2 1.030) . 1_555 N H12 N2 1.030 . 1_555 N H12 Li2 2.666(16) . 2_564 N Li1 B1 2.334(14) . 2_564 N Li1 H2 1.947(15) . 2_564 N Li1 H4 1.885(12) . 2_564 N Li1 B2 2.600(17) . 2_564 N Li1 H5 2.288(17) . 2_564 N Li1 H6 2.003(15) . 2_564 N Li1 N1 2.140(10) . 1_555 N Li1 H9 2.683(11) . 1_555 N Li1 H10 2.684(10) . 1_555 N Li1 N4 2.215(14) . 102_464 N Li1 H16 2.543(14) . 102_464 N Li1 Li2 3.394(17) . 102_464 N N3 N4 1.452 . 1_555 N N3 H13 1.030 . 1_555 N N3 H14 1.030 . 1_555 N N3 Li2 2.140 . 1_555 N N4 Li1 2.215(14) . 102_565 N N4 N3 1.452 . 1_555 N N4 H15 1.030 . 1_555 N N4 H16 1.030 . 1_555 N H13 N3 1.030 . 1_555 N H13 Li2 2.677(13) . 1_555 N H14 N3 1.030 . 1_555 N H15 N4 1.030 . 1_555 N H16 Li1 2.543(14) . 102_565 N H16 N4 1.030 . 1_555 N Li2 B1 2.437(16) . 101_555 N Li2 H3 1.987(15) . 101_555 N Li2 H4 2.022(17) . 101_555 N Li2 B2 2.322(15) . 1_555 N Li2 H5 2.113(16) . 1_555 N Li2 H7 1.690(15) . 1_555 N Li2 N2 2.427(17) . 2_565 N Li2 H12 2.666(16) . 2_565 N Li2 Li1 3.394(17) . 102_565 N Li2 N3 2.140 . 1_555 N Li2 H13 2.677(13) . 1_555 N Li2 H14 2.678(15) . 1_555 N 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_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag H1 B1 H2 109.5 1_555 . 1_555 N H1 B1 H3 109.5 1_555 . 1_555 N H1 B1 H4 109.5 1_555 . 1_555 N H2 B1 H3 109.5 1_555 . 1_555 N H2 B1 H4 109.5 1_555 . 1_555 N H3 B1 H4 109.5 1_555 . 1_555 N H5 B2 H6 109.5 1_555 . 1_555 N H5 B2 H7 109.5 1_555 . 1_555 N H5 B2 H8 109.5 1_555 . 1_555 N H6 B2 H7 109.5 1_555 . 1_555 N H6 B2 H8 109.5 1_555 . 1_555 N H7 B2 H8 109.5 1_555 . 1_555 N N2 N1 H9 108 1_555 . 1_555 N N2 N1 H10 108 1_555 . 1_555 N N2 N1 Li1 112 1_555 . 1_555 N H9 N1 H10 107 1_555 . 1_555 N H9 N1 Li1 110.9(8) 1_555 . 1_555 N H10 N1 Li1 110.8(7) 1_555 . 1_555 N N1 N2 H11 109.3(11) 1_555 . 1_555 N N1 N2 H12 108.1(11) 1_555 . 1_555 N N1 N2 Li2 113.9(6) 1_555 . 2_564 N H11 N2 H12 112.5(10) 1_555 . 1_555 N B1 Li1 N1 122.4(4) 2_564 . 1_555 N B1 Li1 N4 106.2(8) 2_564 . 102_464 N N1 Li1 N4 102.05(15) 1_555 . 102_464 N N4 N3 H13 108 1_555 . 1_555 N N4 N3 H14 108 1_555 . 1_555 N N4 N3 Li2 112 1_555 . 1_555 N H13 N3 H14 107 1_555 . 1_555 N H13 N3 Li2 111.0(8) 1_555 . 1_555 N H14 N3 Li2 111.0(10) 1_555 . 1_555 N Li1 N4 N3 109.7(8) 102_565 . 1_555 N Li1 N4 H15 120.70(6) 102_565 . 1_555 N N3 N4 H15 108 1_555 . 1_555 N N3 N4 H16 108 1_555 . 1_555 N H15 N4 H16 111.7(13) 1_555 . 1_555 N B1 Li2 B2 128.0057(13) 101_555 . 1_555 N B1 Li2 N2 107.1(8) 101_555 . 2_565 N B1 Li2 N3 104.0(6) 101_555 . 1_555 N B2 Li2 N2 102.4(7) 1_555 . 2_565 N B2 Li2 N3 116.3(6) 1_555 . 1_555 N N2 Li2 N3 92.9(6) 2_565 . 1_555 N # Attachment '- CIF-1LIB2N.txt' data_1LIB2N_publ _database_code_depnum_ccdc_archive 'CCDC 855618' #TrackingRef '- CIF-1LIB2N.txt' _audit_creation_method 'from EXP file using GSAS2CIF' _audit_creation_date 2011-06-20T13:03 _pd_phase_name 1LiBH2NH _cell_length_a 12.0187(6) _cell_length_b 6.49642(32) _cell_length_c 7.6645(5) _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 598.43(6) _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P c a 21' loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z 2 -x+1/2,+y,+z+1/2 3 +x+1/2,-y,+z 4 -x,-y,+z+1/2 loop_ _atom_type_symbol _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c _atom_type_scat_source B 4.0 0.000 0.000 2.05450 23.2185 1.33260 1.02100 1.09790 60.3498 0.70680 0.14030 -0.1932 International_Tables_Vol_C H 48.0 0.000 0.000 0.49300 10.5109 0.32291 26.1257 0.14019 3.14236 0.04081 57.7997 0.00304 International_Tables_Vol_C N 16.0 0.000 0.000 12.2126 0.00570 3.13220 9.89330 2.01250 28.9975 1.16630 0.58260 -11.529 International_Tables_Vol_C Li 4.0 0.000 0.000 1.12820 3.95460 0.75080 1.05240 0.61750 85.3905 0.46530 168.261 0.03770 International_Tables_Vol_C _diffrn_ambient_temperature 298 _diffrn_radiation_probe x-ray _diffrn_radiation_polarisn_ratio 0.99 _diffrn_radiation_wavelength 1.238 _diffrn_radiation_type synchrotron _pd_proc_ls_prof_R_factor 0.0162 _pd_proc_ls_prof_wR_factor 0.0260 _pd_proc_ls_prof_wR_expected 0.0217 _refine_ls_R_Fsqd_factor 0.20030 _exptl_absorpt_correction_T_min 1.00000 _exptl_absorpt_correction_T_max 1.00000 _gsas_exptl_extinct_corr_T_min 1.00000 _gsas_exptl_extinct_corr_T_max 1.00000 _pd_proc_ls_peak_cutoff 0.00100 _pd_proc_info_datetime 2011-06-20T13:03:18 _pd_calc_method 'Rietveld Refinement' _pd_meas_2theta_range_min 5.015 _pd_meas_2theta_range_max 45.2 _pd_meas_2theta_range_inc 0.015 _pd_proc_2theta_range_min 5.01208 _pd_proc_2theta_range_max 45.19708 _pd_proc_2theta_range_inc 0.015 _pd_meas_number_of_points 2680 _pd_proc_number_of_points 2680 _refine_ls_shift/su_max 0.02 _refine_ls_shift/su_mean 0.01 _computing_structure_refinement GSAS _refine_ls_number_parameters 23 _refine_ls_goodness_of_fit_all 1.20 _refine_ls_number_restraints 0 _refine_ls_matrix_type full _reflns_number_total 86 _reflns_limit_h_min 0 _reflns_limit_h_max 7 _reflns_limit_k_min 0 _reflns_limit_k_max 4 _reflns_limit_l_min 0 _reflns_limit_l_max 4 _reflns_d_resolution_high 1.616 _reflns_d_resolution_low 6.496 loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_thermal_displace_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity B B1 0.501(2) 0.7956(6) 0.524(2) 1.0 Uiso 0.02635 4 H Hb1 0.58769 0.89484 0.52272 1.0 Uiso 0.02635 4 H Hb2 0.49571 0.68759 0.39237 1.0 Uiso 0.02635 4 H Hb3 0.49793 0.68546 0.65443 1.0 Uiso 0.02635 4 H Hb4 0.42091 0.91438 0.52632 1.0 Uiso 0.02635 4 N N1 0.3625(3) 0.3133(3) 0.4467(3) 1.0 Uiso 0.02949 4 N N2 0.3106(3) 0.2609(3) 0.6119(3) 1.0 Uiso 0.02949 4 H Hn1 0.34531 0.12543 0.6555 1.0 Uiso 0.02949 4 H Hn2 0.2276 0.23201 0.58882 1.0 Uiso 0.02949 4 H Hn3 0.43119 0.40298 0.47267 1.0 Uiso 0.02949 4 H Hn4 0.39093 0.17929 0.39055 1.0 Uiso 0.02949 4 N N3 0.1458(3) 0.6410(3) 0.4292(3) 1.0 Uiso 0.02949 4 N N4 0.1930(3) 0.7043(3) 0.5951(3) 1.0 Uiso 0.02949 4 H Hn5 0.16093 0.84676 0.62592 1.0 Uiso 0.02949 4 H Hn6 0.27746 0.72291 0.57834 1.0 Uiso 0.02949 4 H Hn7 0.07364 0.56093 0.45424 1.0 Uiso 0.02949 4 H Hn8 0.12367 0.77168 0.36146 1.0 Uiso 0.02949 4 Li Li1 0.273(2) 0.483(2) 0.261(4) 1.0 Uiso 0.03521 4 _chemical_formula_sum 'B H12 Li N4' _chemical_formula_weight 85.88 _cell_formula_units_Z 4 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag B1 Hb1 1.23 . 1_555 N B1 Hb2 1.23 . 1_555 N B1 Hb3 1.23 . 1_555 N B1 Hb4 1.23 . 1_555 N Hb1 B1 1.23 . 1_555 N Hb1 Hn2 1.94 . 3_565 N Hb2 B1 1.23 . 1_555 N Hb2 Hn7 1.93 . 3_565 N Hb3 B1 1.23 . 1_555 N Hb4 B1 1.23 . 1_555 N Hb4 Hn1 1.92 . 1_565 N N1 N2 1.452(4) . 1_555 N N1 Hn3 1.03 . 1_555 N N1 Hn4 1.03 . 1_555 N N1 Li1 2.10(3) . 1_555 N N2 N1 1.452(4) . 1_555 N N2 Hn1 1.03 . 1_555 N N2 Hn2 1.03 . 1_555 N N2 Li1 2.10(3) . 2_555 N Hn1 Hb4 1.92 . 1_545 N Hn1 N2 1.03 . 1_555 N Hn1 Hn2 1.66 . 1_555 N Hn2 Hb1 1.94 . 3_465 N Hn2 N2 1.03 . 1_555 N Hn2 Hn1 1.66 . 1_555 N Hn2 Li1 2.10 . 2_555 N Hn3 N1 1.03 . 1_555 N Hn3 Hn4 1.66 . 1_555 N Hn3 Hn7 1.73 . 3_565 N Hn3 Li1 2.55 . 1_555 N Hn4 N1 1.03 . 1_555 N Hn4 Hn3 1.66 . 1_555 N Hn4 Li1 2.63 . 1_555 N N3 N4 1.452(4) . 1_555 N N3 Hn7 1.03 . 1_555 N N3 Hn8 1.03 . 1_555 N N3 Li1 2.25(2) . 1_555 N N4 N3 1.452(4) . 1_555 N N4 Hn5 1.03 . 1_555 N N4 Hn6 1.03 . 1_555 N N4 Li1 1.96(2) . 2_555 N Hn5 N4 1.03 . 1_555 N Hn5 Hn6 1.66 . 1_555 N Hn5 Li1 2.70 . 2_555 N Hn6 N4 1.03 . 1_555 N Hn6 Hn5 1.66 . 1_555 N Hn6 Li1 2.18 . 2_555 N Hn7 Hb2 1.93 . 3_465 N Hn7 Hn3 1.73 . 3_465 N Hn7 N3 1.03 . 1_555 N Hn7 Hn8 1.66 . 1_555 N Hn8 N3 1.03 . 1_555 N Hn8 Hn7 1.66 . 1_555 N Hn8 Li1 2.70 . 1_555 N Li1 N1 2.10(3) . 1_555 N Li1 N2 2.10(2) . 2_554 N Li1 Hn2 2.10 . 2_554 N Li1 Hn3 2.55 . 1_555 N Li1 Hn4 2.63 . 1_555 N Li1 N3 2.25(2) . 1_555 N Li1 N4 1.96(2) . 2_554 N Li1 Hn5 2.70 . 2_554 N Li1 Hn6 2.18 . 2_554 N Li1 Hn8 2.71 . 1_555 N 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_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag N1 N2 Li1 121.2571(26) 1_555 . 2_555 N Hn1 N2 Li1 127.3424(30) 1_555 . 2_555 N Hn2 N2 Li1 75.7852(23) 1_555 . 2_555 N N2 Hn2 Li1 75.8089(9) 1_555 . 2_555 N N3 N4 Li1 116.1764(31) 1_555 . 2_555 N Hn5 N4 Li1 125.9418(30) 1_555 . 2_555 N Hn6 N4 Li1 87.8679(13) 1_555 . 2_555 N N4 Hn6 Li1 63.95170(30) 1_555 . 2_555 N N1 Li1 N2 104.6058(34) 1_555 . 2_554 N N1 Li1 Hn2 91.116(4) 1_555 . 2_554 N N1 Li1 N4 136.0870(22) 1_555 . 2_554 N N1 Li1 Hn6 162.7218(6) 1_555 . 2_554 N N2 Li1 Hn2 28.4059(14) 2_554 . 2_554 N N2 Li1 N3 107.3908(31) 2_554 . 1_555 N N2 Li1 N4 104.548(4) 2_554 . 2_554 N N2 Li1 Hn6 90.488(4) 2_554 . 2_554 N Hn2 Li1 N3 135.3548(17) 2_554 . 1_555 N Hn2 Li1 N4 99.428(4) 2_554 . 2_554 N Hn2 Li1 Hn6 98.692(4) 2_554 . 2_554 N N3 Li1 N4 100.3178(31) 1_555 . 2_554 N N3 Li1 Hn6 81.5255(34) 1_555 . 2_554 N N4 Li1 Hn6 28.1804(16) 2_554 . 2_554 N