Supplementary Material (ESI) for Dalton Transactions
This journal is (c) The Royal Society of Chemistry 2002  

data_dw0111 
_database_code_CSD                  165000

_journal_coden_Cambridge      186

_publ_requested_journal       'Dalton Transactions'

loop_
_publ_author_name
'Garcia, Felipe'
'Linton, David J.'
'McPartlin, M.'
'Rothenberger, Alexander'
'Wheatley, Andrew'
'Wright, Dominic'

_publ_contact_author_name     	'Dr Dominic Wright'  
_publ_contact_author_address 
;
Chemistry
Cambridge University
Lensfield Road
Cambridge
Cambridgeshire
CB2 1EW
UNITED KINGDOM
;

_publ_contact_author_email       'DSW1000@CUS.CAM.AC.UK'

_publ_section_title		
;
Synthesis and Structure of [{Sb(µ-NCy)}(µ-N)]3(Li.THF)3(LiN=NH),
Containing a Macrocyclic [{Sb(µ-NCy)}N]33- Trianion
;


_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
'C49 H93 Li4 N11 O3.5 Sb6' 
_chemical_formula_weight          1650.60 





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' 
'N'  'N'   0.0061   0.0033 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'Sb'  'Sb'  -0.5866   1.5461 
'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' 
'O'  'O'   0.0106   0.0060 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 

_symmetry_cell_setting            Trigonal 
_symmetry_space_group_name_H-M    P-3

loop_ 
_symmetry_equiv_pos_as_xyz 
'x, y, z' 
'-y, x-y, z' 
'-x+y, -x, z' 
'-x, -y, -z' 
'y, -x+y, -z' 
'x-y, x, -z' 

_cell_length_a                    16.7042(5) 
_cell_length_b                    16.7042(5) 
_cell_length_c                    13.1999(5) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 120.00 
_cell_volume                      3189.72(18) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     230(2) 
_cell_measurement_reflns_used     8233 
_cell_measurement_theta_min       1.0
_cell_measurement_theta_max       27.48

_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           0.25 
_exptl_crystal_size_mid           0.23 
_exptl_crystal_size_min           0.12 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.710 

_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1620 
_exptl_absorpt_coefficient_mu     2.550 




_exptl_absorpt_correction_type 'multiscan' 
_exptl_absorpt_process_details 'Sortav Blessing (1995) ' 
_exptl_absorpt_correction_T_min  0.695
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_process_details 
;
multi-scan from symmetry-related measurements (Blessing 1995)
;



_exptl_special_details 
; 
? 
; 

_diffrn_ambient_temperature       230(2) 
_diffrn_radiation_wavelength      0.71069 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube'
_diffrn_measurement_device_type   'KappaCCD'
_diffrn_measurement_device        '95mm CCD camera on \k-goniostat'
_diffrn_detector_area_resol_mean  9
_diffrn_radiation_monochromator   'horizonally mounted graphite crystal'
_diffrn_measurement_method        'CCD'

_diffrn_reflns_number             10759 
_diffrn_reflns_av_R_equivalents   0.0374 
_diffrn_reflns_av_sigmaI/netI     0.0402 
_diffrn_reflns_limit_h_min        -19 
_diffrn_reflns_limit_h_max        15 
_diffrn_reflns_limit_k_min        -19 
_diffrn_reflns_limit_k_max        19 
_diffrn_reflns_limit_l_min        -10 
_diffrn_reflns_limit_l_max        15 
_diffrn_reflns_theta_min          3.73 
_diffrn_reflns_theta_max          25.00 
_reflns_number_total              3747 
_reflns_number_gt                 3062 
_reflns_threshold_expression      >2sigma(I) 
_computing_data_collection       'Collect (Nonius BV, 1997-2000)' 
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction
;
HKL Denzo and Scalepack (Otwinowski & Minor 1997)
;
_computing_structure_solution     teXsan
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     'Bruker SHELXTL' 
_computing_publication_material   'Bruker SHELXTL' 

_refine_special_details 
; 
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
goodness of fit S are based on F^2^, conventional R-factors R are based 
on F, with F set to zero for negative F^2^. The threshold expression of 
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
not relevant to the choice of reflections for refinement.  R-factors based 
on F^2^ are statistically about twice as large as those based on F, and R- 
factors based on ALL data will be even larger. 
; 

_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
'calc w=1/[\s^2^(Fo^2^)+(0.0471P)^2^+8.6137P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     mixed 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          3747 
_refine_ls_number_parameters      181 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0510 
_refine_ls_R_factor_gt            0.0381 
_refine_ls_wR_factor_ref          0.1048 
_refine_ls_wR_factor_gt           0.0983 
_refine_ls_goodness_of_fit_ref    1.061 
_refine_ls_restrained_S_all       1.061 
_refine_ls_shift/su_max           1.497 
_refine_ls_shift/su_mean          0.089 

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_symmetry_multiplicity 
_atom_site_calc_flag 
_atom_site_refinement_flags 
_atom_site_disorder_assembly 
_atom_site_disorder_group 
Sb1 Sb 0.87425(2) 0.51906(2) 1.05058(3) 0.03390(14) Uani 1 1 d . . . 
Sb2 Sb 0.69751(2) 0.54297(2) 1.04324(3) 0.03293(14) Uani 1 1 d . . . 
N1 N 0.8040(3) 0.5570(3) 0.9472(3) 0.0326(10) Uani 1 1 d . . . 
N2 N 0.7688(3) 0.5050(4) 1.1442(4) 0.0436(12) Uani 1 1 d . . . 
N3 N 0.8046(3) 0.3898(3) 0.9977(4) 0.0369(11) Uani 1 1 d . . . 
Li1 Li 0.7641(7) 0.4313(7) 0.8702(9) 0.051(3) Uani 1 1 d . . . 
Li2 Li 0.6667 0.3333 1.0625(13) 0.042(4) Uani 1 3 d S . . 
N1H N 0.6667 0.3333 0.7983(5) 0.0216(14) Uani 1 3 d S . . 
N2H N 0.6667 0.3333 0.6935(12) 0.140(6) Uani 1 3 d S . . 
C11 C 0.8567(4) 0.6440(3) 0.8878(4) 0.0363(13) Uani 1 1 d . . . 
H11 H 0.9058 0.6397 0.8506 0.044 Uiso 1 1 calc R . . 
C12 C 0.9042(4) 0.7324(4) 0.9519(5) 0.0426(14) Uani 1 1 d . . . 
H12A H 0.9475 0.7286 0.9992 0.051 Uiso 1 1 calc R . . 
H12B H 0.8577 0.7378 0.9918 0.051 Uiso 1 1 calc R . . 
C13 C 0.9565(4) 0.8181(4) 0.8854(6) 0.0550(17) Uani 1 1 d . . . 
H13A H 0.9841 0.8735 0.9281 0.066 Uiso 1 1 calc R . . 
H13B H 1.0067 0.8154 0.8500 0.066 Uiso 1 1 calc R . . 
C14 C 0.8938(5) 0.8247(5) 0.8093(6) 0.067(2) Uani 1 1 d . . . 
H14A H 0.9296 0.8790 0.7662 0.080 Uiso 1 1 calc R . . 
H14B H 0.8467 0.8328 0.8446 0.080 Uiso 1 1 calc R . . 
C15 C 0.8467(5) 0.7383(5) 0.7434(6) 0.062(2) Uani 1 1 d . . . 
H15A H 0.8032 0.7427 0.6971 0.075 Uiso 1 1 calc R . . 
H15B H 0.8931 0.7335 0.7027 0.075 Uiso 1 1 calc R . . 
C16 C 0.7951(5) 0.6527(4) 0.8092(5) 0.0521(16) Uani 1 1 d . . . 
H16A H 0.7682 0.5977 0.7658 0.063 Uiso 1 1 calc R . . 
H16B H 0.7443 0.6547 0.8438 0.063 Uiso 1 1 calc R . . 
C21 C 0.7867(4) 0.5336(4) 1.2498(5) 0.0463(15) Uiso 1 1 d . A . 
H21 H 0.8224 0.5063 1.2787 0.056 Uiso 1 1 calc R . . 
C22 C 0.6969(5) 0.4931(6) 1.3083(6) 0.071(2) Uiso 1 1 d . . . 
H22A H 0.6613 0.4263 1.2963 0.086 Uiso 0.63(5) 1 calc PR A 1 
H22B H 0.6604 0.5202 1.2834 0.086 Uiso 0.63(5) 1 calc PR A 1 
H22C H 0.6710 0.4264 1.3170 0.086 Uiso 0.37(5) 1 calc PR A 2 
H22D H 0.6519 0.5034 1.2714 0.086 Uiso 0.37(5) 1 calc PR A 2 
C23 C 0.7134(11) 0.5111(19) 1.4216(12) 0.074(3) Uiso 0.63(5) 1 d P A 1 
H23A H 0.6542 0.4851 1.4575 0.089 Uiso 0.63(5) 1 calc PR A 1 
H23B H 0.7476 0.4822 1.4481 0.089 Uiso 0.63(5) 1 calc PR A 1 
C23' C 0.721(2) 0.548(3) 1.427(2) 0.074(3) Uiso 0.37(5) 1 d P A 2 
H23C H 0.6623 0.5394 1.4534 0.089 Uiso 0.37(5) 1 calc PR A 2 
H23D H 0.7395 0.5135 1.4720 0.089 Uiso 0.37(5) 1 calc PR A 2 
C24 C 0.7722(9) 0.6216(8) 1.4379(9) 0.113(3) Uiso 1 1 d . . . 
H24A H 0.7858 0.6354 1.5101 0.136 Uiso 0.63(5) 1 calc PR A 1 
H24B H 0.7356 0.6494 1.4154 0.136 Uiso 0.63(5) 1 calc PR A 1 
H24C H 0.7881 0.6312 1.5100 0.136 Uiso 0.37(5) 1 calc PR A 2 
H24D H 0.7419 0.6574 1.4217 0.136 Uiso 0.37(5) 1 calc PR A 2 
C25 C 0.8614(7) 0.6629(7) 1.3788(7) 0.096(3) Uiso 1 1 d . A . 
H25A H 0.8941 0.7303 1.3857 0.115 Uiso 1 1 calc R . . 
H25B H 0.9010 0.6405 1.4069 0.115 Uiso 1 1 calc R . . 
C26 C 0.8439(5) 0.6371(5) 1.2666(6) 0.069(2) Uiso 1 1 d . . . 
H26A H 0.9034 0.6609 1.2318 0.083 Uiso 1 1 calc R A . 
H26B H 0.8117 0.6669 1.2365 0.083 Uiso 1 1 calc R . . 
O1T O 0.8611(4) 0.4776(4) 0.7517(4) 0.0777(16) Uani 1 1 d . . . 
C1T C 0.9385(7) 0.4716(7) 0.7566(8) 0.095(3) Uiso 1 1 d . . . 
H1T1 H 0.9273 0.4210 0.8025 0.114 Uiso 1 1 calc R . . 
H1T2 H 0.9879 0.5290 0.7861 0.114 Uiso 1 1 calc R . . 
C2T C 0.9698(7) 0.4566(7) 0.6624(7) 0.098(3) Uiso 1 1 d . . . 
H2T1 H 1.0373 0.4855 0.6600 0.118 Uiso 1 1 calc R . . 
H2T2 H 0.9415 0.3906 0.6463 0.118 Uiso 1 1 calc R . . 
C3T C 0.9335(11) 0.5068(11) 0.5918(12) 0.162(5) Uiso 1 1 d . . . 
H3T1 H 0.9847 0.5602 0.5583 0.194 Uiso 1 1 calc R . . 
H3T2 H 0.8912 0.4646 0.5403 0.194 Uiso 1 1 calc R . . 
C4T C 0.8824(9) 0.5375(9) 0.6670(10) 0.134(4) Uiso 1 1 d . . . 
H4T1 H 0.8259 0.5307 0.6363 0.161 Uiso 1 1 calc R . . 
H4T2 H 0.9222 0.6021 0.6871 0.161 Uiso 1 1 calc R . . 
C1X C 0.9241(16) -0.008(3) 1.512(2) 0.15(2) Uiso 0.33 1 d P . 3 
H1X H 0.8682 -0.0146 1.4807 0.179 Uiso 0.33 1 calc PR . 3 
H1Y H 0.9159 -0.0093 1.5860 0.179 Uiso 0.33 1 calc PR . 3 
O1X O 0.9241(16) -0.008(3) 1.512(2) 0.13(6) Uani 0.17 1 d P . 4 

loop_ 
_atom_site_aniso_label 
_atom_site_aniso_U_11 
_atom_site_aniso_U_22 
_atom_site_aniso_U_33 
_atom_site_aniso_U_23 
_atom_site_aniso_U_13 
_atom_site_aniso_U_12 
Sb1 0.0308(2) 0.0298(2) 0.0403(3) -0.00153(15) -0.00339(15) 0.01456(16) 
Sb2 0.0297(2) 0.0272(2) 0.0409(3) -0.00295(15) -0.00015(15) 0.01354(16) 
N1 0.032(2) 0.024(2) 0.040(3) 0.0040(19) 0.0025(19) 0.0122(19) 
N2 0.048(3) 0.057(3) 0.033(3) -0.004(2) -0.004(2) 0.032(3) 
N3 0.036(2) 0.028(2) 0.050(3) -0.001(2) -0.003(2) 0.018(2) 
Li1 0.048(6) 0.037(5) 0.064(7) -0.012(5) -0.018(5) 0.018(5) 
Li2 0.039(6) 0.039(6) 0.047(11) 0.000 0.000 0.020(3) 
N1H 0.027(2) 0.027(2) 0.011(3) 0.000 0.000 0.0134(11) 
N2H 0.168(11) 0.168(11) 0.083(12) 0.000 0.000 0.084(5) 
C11 0.029(3) 0.029(3) 0.044(3) 0.007(2) 0.004(2) 0.010(2) 
C12 0.035(3) 0.029(3) 0.060(4) 0.002(3) -0.003(3) 0.013(2) 
C13 0.041(3) 0.032(3) 0.079(5) 0.019(3) 0.005(3) 0.009(3) 
C14 0.059(4) 0.044(4) 0.093(6) 0.035(4) 0.017(4) 0.022(3) 
C15 0.061(4) 0.055(4) 0.071(5) 0.026(4) 0.001(4) 0.029(4) 
C16 0.051(4) 0.051(4) 0.051(4) 0.014(3) -0.004(3) 0.024(3) 
O1T 0.091(4) 0.117(5) 0.059(3) 0.030(3) 0.028(3) 0.077(4) 
O1X 0.03(4) 0.10(6) 0.25(13) -0.02(4) 0.03(4) 0.03(4) 

_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 
Sb1 N3 1.998(4) . ? 
Sb1 N2 2.066(5) . ? 
Sb1 N1 2.094(4) . ? 
Sb1 Li1 2.917(10) . ? 
Sb1 Sb2 3.1724(5) . ? 
Sb1 Li2 3.3039(10) . ? 
Sb2 N3 1.988(4) 2_655 ? 
Sb2 N2 2.086(5) . ? 
Sb2 N1 2.100(4) . ? 
Sb2 Li2 3.2847(14) . ? 
N1 C11 1.492(7) . ? 
N1 Li1 2.119(11) . ? 
N2 C21 1.457(8) . ? 
N2 Li2 2.721(9) . ? 
N3 Sb2 1.988(4) 3_665 ? 
N3 Li1 2.057(12) . ? 
N3 Li2 2.181(8) . ? 
Li1 N1H 1.888(10) . ? 
Li1 O1T 2.101(13) . ? 
Li1 N2H 2.847(17) . ? 
Li1 Li1 2.826(17) 2_655 ? 
Li1 Li1 2.826(17) 3_665 ? 
Li1 Li2 3.018(19) . ? 
Li2 N3 2.181(8) 3_665 ? 
Li2 N3 2.181(8) 2_655 ? 
Li2 N2 2.721(9) 3_665 ? 
Li2 N2 2.721(9) 2_655 ? 
Li2 Li1 3.018(19) 3_665 ? 
Li2 Li1 3.018(19) 2_655 ? 
Li2 Sb2 3.2847(14) 3_665 ? 
Li2 Sb2 3.2847(14) 2_655 ? 
N1H N2H 1.384(17) . ? 
N1H Li1 1.888(10) 3_665 ? 
N1H Li1 1.888(10) 2_655 ? 
N2H Li1 2.847(17) 3_665 ? 
N2H Li1 2.847(17) 2_655 ? 
C11 C12 1.535(8) . ? 
C11 C16 1.517(8) . ? 
C12 C13 1.528(8) . ? 
C13 C14 1.495(10) . ? 
C14 C15 1.525(11) . ? 
C15 C16 1.520(9) . ? 
C21 C22 1.512(10) . ? 
C21 C26 1.517(10) . ? 
C22 C23 1.524(18) . ? 
C22 C23' 1.76(4) . ? 
C23 C24 1.61(3) . ? 
C23' C24 1.10(4) . ? 
C24 C25 1.510(14) . ? 
C25 C26 1.529(11) . ? 
O1T C1T 1.347(10) . ? 
O1T C4T 1.422(14) . ? 
C1T C2T 1.420(12) . ? 
C2T C3T 1.564(16) . ? 
C3T C4T 1.554(17) . ? 
C1X C1X 1.25(2) 5_668 ? 
C1X C1X 1.25(2) 6_548 ? 
O1X O1X 1.25(2) 5_668 ? 
O1X O1X 1.25(2) 6_548 ? 

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 
N3 Sb1 N2 94.8(2) . . ? 
N3 Sb1 N1 89.26(17) . . ? 
N2 Sb1 N1 81.34(18) . . ? 
N3 Sb1 Li1 44.8(2) . . ? 
N2 Sb1 Li1 98.3(3) . . ? 
N1 Sb1 Li1 46.5(2) . . ? 
N3 Sb1 Sb2 92.82(12) . . ? 
N2 Sb1 Sb2 40.42(13) . . ? 
N1 Sb1 Sb2 40.92(12) . . ? 
Li1 Sb1 Sb2 69.2(2) . . ? 
N3 Sb1 Li2 39.7(2) . . ? 
N2 Sb1 Li2 55.2(3) . . ? 
N1 Sb1 Li2 80.3(2) . . ? 
Li1 Sb1 Li2 57.6(4) . . ? 
Sb2 Sb1 Li2 60.91(2) . . ? 
N3 Sb2 N2 95.1(2) 2_655 . ? 
N3 Sb2 N1 93.53(17) 2_655 . ? 
N2 Sb2 N1 80.71(18) . . ? 
N3 Sb2 Sb1 95.81(12) 2_655 . ? 
N2 Sb2 Sb1 39.93(14) . . ? 
N1 Sb2 Sb1 40.77(12) . . ? 
N3 Sb2 Li2 40.1(2) 2_655 . ? 
N2 Sb2 Li2 55.6(3) . . ? 
N1 Sb2 Li2 80.7(2) . . ? 
Sb1 Sb2 Li2 61.521(9) . . ? 
C11 N1 Sb1 119.4(3) . . ? 
C11 N1 Sb2 118.7(3) . . ? 
Sb1 N1 Sb2 98.31(18) . . ? 
C11 N1 Li1 117.0(5) . . ? 
Sb1 N1 Li1 87.6(3) . . ? 
Sb2 N1 Li1 110.5(4) . . ? 
C21 N2 Sb1 120.8(4) . . ? 
C21 N2 Sb2 124.5(4) . . ? 
Sb1 N2 Sb2 99.6(2) . . ? 
C21 N2 Li2 130.0(5) . . ? 
Sb1 N2 Li2 86.2(3) . . ? 
Sb2 N2 Li2 85.1(3) . . ? 
Sb2 N3 Sb1 117.3(2) 3_665 . ? 
Sb2 N3 Li1 141.7(4) 3_665 . ? 
Sb1 N3 Li1 92.0(3) . . ? 
Sb2 N3 Li2 103.9(3) 3_665 . ? 
Sb1 N3 Li2 104.4(3) . . ? 
Li1 N3 Li2 90.8(5) . . ? 
N1H Li1 N3 113.9(5) . . ? 
N1H Li1 O1T 96.7(5) . . ? 
N3 Li1 O1T 114.2(5) . . ? 
N1H Li1 N1 143.9(6) . . ? 
N3 Li1 N1 87.0(4) . . ? 
O1T Li1 N1 100.9(5) . . ? 
N1H Li1 N2H 24.9(3) . . ? 
N3 Li1 N2H 131.8(5) . . ? 
O1T Li1 N2H 73.5(4) . . ? 
N1 Li1 N2H 140.2(5) . . ? 
N1H Li1 Li1 41.5(3) . 2_655 ? 
N3 Li1 Li1 106.4(3) . 2_655 ? 
O1T Li1 Li1 131.9(3) . 2_655 ? 
N1 Li1 Li1 106.0(6) . 2_655 ? 
N2H Li1 Li1 60.2(2) . 2_655 ? 
N1H Li1 Li1 41.5(3) . 3_665 ? 
N3 Li1 Li1 72.9(4) . 3_665 ? 
O1T Li1 Li1 108.4(5) . 3_665 ? 
N1 Li1 Li1 149.2(4) . 3_665 ? 
N2H Li1 Li1 60.2(2) . 3_665 ? 
Li1 Li1 Li1 60.000(3) 2_655 3_665 ? 
N1H Li1 Sb1 154.2(6) . . ? 
N3 Li1 Sb1 43.2(2) . . ? 
O1T Li1 Sb1 104.3(4) . . ? 
N1 Li1 Sb1 45.8(2) . . ? 
N2H Li1 Sb1 173.5(4) . . ? 
Li1 Li1 Sb1 123.2(3) 2_655 . ? 
Li1 Li1 Sb1 115.7(3) 3_665 . ? 
N1H Li1 Li2 87.4(5) . . ? 
N3 Li1 Li2 46.3(3) . . ? 
O1T Li1 Li2 159.0(5) . . ? 
N1 Li1 Li2 87.2(4) . . ? 
N2H Li1 Li2 112.3(4) . . ? 
Li1 Li1 Li2 62.1(2) 2_655 . ? 
Li1 Li1 Li2 62.1(2) 3_665 . ? 
Sb1 Li1 Li2 67.6(3) . . ? 
N3 Li2 N3 105.6(5) . 3_665 ? 
N3 Li2 N3 105.6(5) . 2_655 ? 
N3 Li2 N3 105.6(5) 3_665 2_655 ? 
N3 Li2 N2 74.77(16) . 3_665 ? 
N3 Li2 N2 74.29(16) 3_665 3_665 ? 
N3 Li2 N2 179.6(5) 2_655 3_665 ? 
N3 Li2 N2 74.29(16) . . ? 
N3 Li2 N2 179.6(5) 3_665 . ? 
N3 Li2 N2 74.77(16) 2_655 . ? 
N2 Li2 N2 105.4(4) 3_665 . ? 
N3 Li2 N2 179.6(5) . 2_655 ? 
N3 Li2 N2 74.77(16) 3_665 2_655 ? 
N3 Li2 N2 74.29(16) 2_655 2_655 ? 
N2 Li2 N2 105.4(4) 3_665 2_655 ? 
N2 Li2 N2 105.4(4) . 2_655 ? 
N3 Li2 Li1 67.4(4) . 3_665 ? 
N3 Li2 Li1 43.0(4) 3_665 3_665 ? 
N3 Li2 Li1 97.2(6) 2_655 3_665 ? 
N2 Li2 Li1 83.0(3) 3_665 3_665 ? 
N2 Li2 Li1 137.1(5) . 3_665 ? 
N2 Li2 Li1 112.9(3) 2_655 3_665 ? 
N3 Li2 Li1 43.0(4) . . ? 
N3 Li2 Li1 97.2(6) 3_665 . ? 
N3 Li2 Li1 67.4(4) 2_655 . ? 
N2 Li2 Li1 112.9(3) 3_665 . ? 
N2 Li2 Li1 83.0(3) . . ? 
N2 Li2 Li1 137.1(5) 2_655 . ? 
Li1 Li2 Li1 55.8(4) 3_665 . ? 
N3 Li2 Li1 97.2(6) . 2_655 ? 
N3 Li2 Li1 67.4(4) 3_665 2_655 ? 
N3 Li2 Li1 43.0(4) 2_655 2_655 ? 
N2 Li2 Li1 137.1(5) 3_665 2_655 ? 
N2 Li2 Li1 112.9(3) . 2_655 ? 
N2 Li2 Li1 83.0(3) 2_655 2_655 ? 
Li1 Li2 Li1 55.8(4) 3_665 2_655 ? 
Li1 Li2 Li1 55.8(4) . 2_655 ? 
N3 Li2 Sb2 35.99(11) . 3_665 ? 
N3 Li2 Sb2 86.54(18) 3_665 3_665 ? 
N3 Li2 Sb2 141.1(5) 2_655 3_665 ? 
N2 Li2 Sb2 39.26(10) 3_665 3_665 ? 
N2 Li2 Sb2 93.18(14) . 3_665 ? 
N2 Li2 Sb2 144.2(3) 2_655 3_665 ? 
Li1 Li2 Sb2 66.6(3) 3_665 3_665 ? 
Li1 Li2 Sb2 74.5(3) . 3_665 ? 
Li1 Li2 Sb2 117.9(5) 2_655 3_665 ? 
N3 Li2 Sb2 141.1(5) . 2_655 ? 
N3 Li2 Sb2 35.99(12) 3_665 2_655 ? 
N3 Li2 Sb2 86.54(18) 2_655 2_655 ? 
N2 Li2 Sb2 93.18(14) 3_665 2_655 ? 
N2 Li2 Sb2 144.2(3) . 2_655 ? 
N2 Li2 Sb2 39.26(10) 2_655 2_655 ? 
Li1 Li2 Sb2 74.5(3) 3_665 2_655 ? 
Li1 Li2 Sb2 117.9(5) . 2_655 ? 
Li1 Li2 Sb2 66.6(3) 2_655 2_655 ? 
Sb2 Li2 Sb2 119.41(8) 3_665 2_655 ? 
N3 Li2 Sb2 86.54(18) . . ? 
N3 Li2 Sb2 141.1(5) 3_665 . ? 
N3 Li2 Sb2 35.99(12) 2_655 . ? 
N2 Li2 Sb2 144.2(3) 3_665 . ? 
N2 Li2 Sb2 39.26(10) . . ? 
N2 Li2 Sb2 93.18(14) 2_655 . ? 
Li1 Li2 Sb2 117.9(5) 3_665 . ? 
Li1 Li2 Sb2 66.6(3) . . ? 
Li1 Li2 Sb2 74.5(3) 2_655 . ? 
Sb2 Li2 Sb2 119.41(8) 3_665 . ? 
Sb2 Li2 Sb2 119.41(8) 2_655 . ? 
N2H N1H Li1 120.2(4) . 3_665 ? 
N2H N1H Li1 120.2(4) . . ? 
Li1 N1H Li1 97.0(5) 3_665 . ? 
N2H N1H Li1 120.2(4) . 2_655 ? 
Li1 N1H Li1 97.0(5) 3_665 2_655 ? 
Li1 N1H Li1 97.0(5) . 2_655 ? 
N1H N2H Li1 35.0(3) . 3_665 ? 
N1H N2H Li1 35.0(3) . . ? 
Li1 N2H Li1 59.5(5) 3_665 . ? 
N1H N2H Li1 35.0(3) . 2_655 ? 
Li1 N2H Li1 59.5(5) 3_665 2_655 ? 
Li1 N2H Li1 59.5(5) . 2_655 ? 
N1 C11 C12 114.6(5) . . ? 
N1 C11 C16 110.8(4) . . ? 
C12 C11 C16 109.6(5) . . ? 
C11 C12 C13 111.2(5) . . ? 
C14 C13 C12 111.2(5) . . ? 
C13 C14 C15 111.2(6) . . ? 
C16 C15 C14 110.3(6) . . ? 
C15 C16 C11 112.8(5) . . ? 
N2 C21 C22 110.3(5) . . ? 
N2 C21 C26 115.0(5) . . ? 
C22 C21 C26 110.7(6) . . ? 
C21 C22 C23 111.8(8) . . ? 
C21 C22 C23' 107.7(11) . . ? 
C23 C22 C23' 18.3(11) . . ? 
C24 C23 C22 107.6(14) . . ? 
C24 C23' C22 123(2) . . ? 
C23' C24 C23 11(2) . . ? 
C23' C24 C25 119(2) . . ? 
C23 C24 C25 110.5(10) . . ? 
C26 C25 C24 111.4(8) . . ? 
C25 C26 C21 112.6(7) . . ? 
C1T O1T C4T 100.2(8) . . ? 
C1T O1T Li1 121.9(6) . . ? 
C4T O1T Li1 136.1(7) . . ? 
O1T C1T C2T 115.1(9) . . ? 
C3T C2T C1T 98.6(9) . . ? 
C4T C3T C2T 102.8(11) . . ? 
C3T C4T O1T 104.8(10) . . ? 
C1X C1X C1X 113(2) 5_668 6_548 ? 
O1X O1X O1X 113(2) 5_668 6_548 ? 

_diffrn_measured_fraction_theta_max    0.996 
_diffrn_reflns_theta_full              25.00 
_diffrn_measured_fraction_theta_full   0.996 
_refine_diff_density_max    1.912 
_refine_diff_density_min   -0.815 
_refine_diff_density_rms    0.124