# Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2000
# CCDC Number: 186/2166

data_s92
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C35 H47 Li3 N8 O3 Sb2'
_chemical_formula_weight          892.13
 
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'
 'O'  'O'   0.0106   0.0060
 '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'
 
_symmetry_cell_setting            Orthorhombic
_symmetry_space_group_name_H-M    P2(1)2(1)2(1)
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x+1/2, -y, z+1/2'
 '-x, y+1/2, -z+1/2'
 'x+1/2, -y+1/2, -z'
 
_cell_length_a                    12.857(3)
_cell_length_b                    13.962(3)
_cell_length_c                    26.230(5)
_cell_angle_alpha                 90.00
_cell_angle_beta                  90.00
_cell_angle_gamma                 90.00
_cell_volume                      4708.6(16)
_cell_formula_units_Z             4
_cell_measurement_temperature     150(2)
_cell_measurement_reflns_used     26760
_cell_measurement_theta_min       2.91
_cell_measurement_theta_max       27.48
 
_exptl_crystal_description        plate
_exptl_crystal_colour             colourless
_exptl_crystal_size_max           0.13
_exptl_crystal_size_mid           0.10
_exptl_crystal_size_min           0.03
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.258
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              1792
_exptl_absorpt_coefficient_mu     1.184
_exptl_absorpt_correction_type    multi-scans
_exptl_absorpt_correction_T_min   0.8661
_exptl_absorpt_correction_T_max   0.9654
_exptl_absorpt_process_details    ?
 
_exptl_special_details
;
 ?
;
 
_diffrn_ambient_temperature       150(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'Nonius FR591 rotating anode'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device_type   'Nonius KappaCCD Area Detector'
_diffrn_measurement_method        'Phi and Omega scans to fill Ewald Sphere'
_diffrn_detector_area_resol_mean  9.091
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             33898
_diffrn_reflns_av_R_equivalents   0.1856
_diffrn_reflns_av_sigmaI/netI     0.2757
_diffrn_reflns_limit_h_min        -15
_diffrn_reflns_limit_h_max        16
_diffrn_reflns_limit_k_min        -16
_diffrn_reflns_limit_k_max        17
_diffrn_reflns_limit_l_min        -31
_diffrn_reflns_limit_l_max        31
_diffrn_reflns_theta_min          2.92
_diffrn_reflns_theta_max          26.96
_reflns_number_total              8422
_reflns_number_gt                 3682
_reflns_threshold_expression      >2sigma(I)
 
_computing_data_collection        ?
_computing_cell_refinement        'DENZO, COLLECT'
_computing_data_reduction         'DENZO, COLLECT'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     'CAMERON (Watkin, Pearce 1995)'
_computing_publication_material   ?
 
_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^)+(0.1027P)^2^+0.0000P] 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      SHELXL
_refine_ls_extinction_coef        0.0000(3)
_refine_ls_extinction_expression
 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^'
_refine_ls_abs_structure_details
 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack    -0.05(6)
_refine_ls_number_reflns          8422
_refine_ls_number_parameters      471
_refine_ls_number_restraints      36
_refine_ls_R_factor_all           0.2253
_refine_ls_R_factor_gt            0.0783
_refine_ls_wR_factor_ref          0.2206
_refine_ls_wR_factor_gt           0.1682
_refine_ls_goodness_of_fit_ref    0.951
_refine_ls_restrained_S_all       0.949
_refine_ls_shift/su_max           1.313
_refine_ls_shift/su_mean          0.007
 
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
Li1 Li 0.5179(17) 0.322(2) 0.8027(11) 0.065(8) Uani 1 1 d . A .
Li2 Li 0.732(2) 0.259(2) 0.8001(15) 0.087(10) Uani 1 1 d . A .
Li3 Li 0.664(2) 0.359(2) 0.8823(11) 0.072(9) Uani 1 1 d . A .
C34 C 0.720(2) 0.606(3) 0.8888(14) 0.111(14) Uani 0.73(4) 1 d PU A 1
H34A H 0.7349 0.6492 0.9177 0.133 Uiso 0.73(4) 1 calc PR A 1
H34B H 0.7041 0.5420 0.9031 0.133 Uiso 0.73(4) 1 calc PR A 1
C34' C 0.739(3) 0.667(3) 0.8572(17) 0.015(16) Uani 0.27(4) 1 d PU A 2
H34C H 0.7470 0.7020 0.8245 0.018 Uiso 0.27(4) 1 calc PR A 2
H34D H 0.7566 0.7134 0.8847 0.018 Uiso 0.27(4) 1 calc PR A 2
C33 C 0.6261(12) 0.6411(12) 0.8630(7) 0.072(6) Uani 1 1 d . . .
H33A H 0.6454 0.6998 0.8441 0.086 Uiso 1 1 calc R A 1
H33B H 0.5758 0.6604 0.8897 0.086 Uiso 1 1 calc R A 1
C35 C 0.8117(14) 0.5982(16) 0.8582(9) 0.094(7) Uani 1 1 d . . .
H35A H 0.8708 0.5915 0.8821 0.112 Uiso 1 1 calc R A 1
H35B H 0.8206 0.6606 0.8409 0.112 Uiso 1 1 calc R A 1
Sb1 Sb 0.54537(8) 0.54669(7) 0.81026(4) 0.0558(4) Uani 1 1 d . A .
Sb2 Sb 0.83179(7) 0.48867(8) 0.80040(4) 0.0591(4) Uani 1 1 d . A .
N1 N 0.6778(8) 0.5014(9) 0.7739(5) 0.055(3) Uani 1 1 d . . .
N2 N 0.5712(10) 0.3851(9) 0.7337(5) 0.055(4) Uani 1 1 d . . .
N3 N 0.5373(9) 0.4288(8) 0.8574(4) 0.046(3) Uani 1 1 d . . .
N4 N 0.4124(11) 0.5323(11) 0.8896(5) 0.070(4) Uani 1 1 d . . .
N5 N 0.7945(9) 0.3675(9) 0.8406(5) 0.052(4) Uani 1 1 d . . .
N6 N 0.9606(11) 0.4079(9) 0.8647(5) 0.054(3) Uani 1 1 d . . .
N7 N 0.5973(9) 0.1992(8) 0.8077(5) 0.055(3) Uani 1 1 d . . .
H7 H 0.5820 0.1568 0.7814 0.066 Uiso 1 1 calc R A .
N8 N 0.6193(9) 0.2135(8) 0.8951(5) 0.050(3) Uani 1 1 d . . .
C1 C 0.6601(12) 0.4404(12) 0.7321(6) 0.051(4) Uani 1 1 d . A .
C2 C 0.7198(12) 0.4386(12) 0.6875(7) 0.059(4) Uani 1 1 d . . .
H2 H 0.7777 0.4806 0.6848 0.071 Uiso 1 1 calc R A .
C3 C 0.6987(14) 0.3803(14) 0.6489(7) 0.065(5) Uani 1 1 d . A .
H3 H 0.7458 0.3748 0.6211 0.078 Uiso 1 1 calc R . .
C4 C 0.6066(16) 0.3274(13) 0.6494(7) 0.069(5) Uani 1 1 d . . .
H4 H 0.5844 0.2909 0.6208 0.082 Uiso 1 1 calc R A .
C5 C 0.5507(12) 0.3311(11) 0.6934(7) 0.058(4) Uani 1 1 d . A .
H5 H 0.4910 0.2911 0.6954 0.069 Uiso 1 1 calc R . .
C6 C 0.4515(12) 0.4409(11) 0.8882(6) 0.050(4) Uani 1 1 d . A .
C7 C 0.4145(12) 0.3722(13) 0.9204(7) 0.057(4) Uani 1 1 d . . .
H7 H 0.4431 0.3095 0.9191 0.069 Uiso 1 1 calc R A .
C8 C 0.3379(14) 0.3917(16) 0.9541(8) 0.076(6) Uani 1 1 d . A .
H8 H 0.3132 0.3444 0.9771 0.092 Uiso 1 1 calc R . .
C9 C 0.2927(13) 0.492(2) 0.9538(7) 0.089(7) Uani 1 1 d . . .
H9 H 0.2379 0.5087 0.9765 0.107 Uiso 1 1 calc R A .
C10 C 0.3303(12) 0.5575(13) 0.9215(6) 0.057(4) Uani 1 1 d . A .
H10 H 0.3015 0.6201 0.9202 0.069 Uiso 1 1 calc R . .
C11 C 0.8824(13) 0.3440(12) 0.8647(6) 0.048(4) Uani 1 1 d . A .
C12 C 0.8932(13) 0.2557(13) 0.8920(7) 0.073(5) Uani 1 1 d . . .
H12 H 0.8385 0.2100 0.8917 0.087 Uiso 1 1 calc R A .
C13 C 0.9833(14) 0.2375(16) 0.9189(8) 0.094(7) Uani 1 1 d . A .
H13 H 0.9911 0.1801 0.9379 0.113 Uiso 1 1 calc R . .
C14 C 1.0626(14) 0.3054(16) 0.9173(7) 0.073(5) Uani 1 1 d . . .
H14 H 1.1261 0.2956 0.9352 0.088 Uiso 1 1 calc R A .
C15 C 1.0461(15) 0.3859(14) 0.8896(8) 0.073(5) Uani 1 1 d . A .
H15 H 1.1017 0.4306 0.8879 0.088 Uiso 1 1 calc R . .
C16 C 0.5884(10) 0.1603(11) 0.8529(7) 0.047(4) Uani 1 1 d . A .
C17 C 0.5449(11) 0.0665(11) 0.8630(6) 0.058(4) Uani 1 1 d . . .
H17 H 0.5199 0.0289 0.8355 0.070 Uiso 1 1 calc R A .
C18 C 0.5391(11) 0.0303(11) 0.9126(6) 0.060(4) Uani 1 1 d . A .
H18 H 0.5138 -0.0327 0.9185 0.073 Uiso 1 1 calc R . .
C19 C 0.5716(12) 0.0888(13) 0.9545(6) 0.057(4) Uani 1 1 d . . .
H19 H 0.5668 0.0678 0.9889 0.068 Uiso 1 1 calc R A .
C20 C 0.6094(11) 0.1756(13) 0.9420(7) 0.061(5) Uani 1 1 d . A .
H20 H 0.6317 0.2147 0.9696 0.074 Uiso 1 1 calc R . .
C21 C 0.786(2) 0.410(3) 1.0347(12) 0.211(19) Uani 1 1 d . . .
H21A H 0.8469 0.4427 1.0495 0.253 Uiso 1 1 calc R . .
H21B H 0.7763 0.3473 1.0519 0.253 Uiso 1 1 calc R . .
C22 C 0.6809(17) 0.4760(18) 1.0395(9) 0.117(8) Uani 1 1 d U . .
H22A H 0.6392 0.4570 1.0696 0.141 Uiso 1 1 calc R . .
H22B H 0.6993 0.5446 1.0426 0.141 Uiso 1 1 calc R . .
C23 C 0.6204(13) 0.4568(15) 0.9895(6) 0.079(6) Uani 1 1 d . A .
H23A H 0.5573 0.4181 0.9960 0.095 Uiso 1 1 calc R . .
H23B H 0.5999 0.5175 0.9728 0.095 Uiso 1 1 calc R . .
C24 C 0.7960(14) 0.3987(16) 0.9838(8) 0.079(6) Uani 1 1 d U A .
H24A H 0.8288 0.3359 0.9767 0.094 Uiso 1 1 calc R . .
H24B H 0.8423 0.4493 0.9703 0.094 Uiso 1 1 calc R . .
C25 C 0.3199(13) 0.2071(13) 0.8132(7) 0.071(5) Uani 1 1 d . A .
H25A H 0.3322 0.2061 0.8504 0.085 Uiso 1 1 calc R . .
H25B H 0.3481 0.1474 0.7982 0.085 Uiso 1 1 calc R . .
C26 C 0.2050(11) 0.2159(13) 0.8020(8) 0.072(5) Uani 1 1 d . . .
H26A H 0.1826 0.1639 0.7788 0.087 Uiso 1 1 calc R . .
H26B H 0.1644 0.2109 0.8340 0.087 Uiso 1 1 calc R . .
C27 C 0.1881(15) 0.307(2) 0.7787(9) 0.112(8) Uani 1 1 d . . .
H27A H 0.1318 0.3420 0.7963 0.134 Uiso 1 1 calc R . .
H27B H 0.1691 0.2991 0.7424 0.134 Uiso 1 1 calc R . .
C28 C 0.2922(13) 0.3599(13) 0.7840(8) 0.084(7) Uani 1 1 d . A .
H28A H 0.3065 0.3984 0.7531 0.101 Uiso 1 1 calc R . .
H28B H 0.2905 0.4033 0.8139 0.101 Uiso 1 1 calc R . .
C29 C 0.7835(13) 0.1304(13) 0.7166(7) 0.073(6) Uani 1 1 d . A .
H29A H 0.7194 0.1503 0.6985 0.088 Uiso 1 1 calc R . .
H29B H 0.7696 0.0698 0.7350 0.088 Uiso 1 1 calc R . .
C30 C 0.8709(17) 0.1189(16) 0.6806(9) 0.113(8) Uani 1 1 d U . .
H30A H 0.8458 0.1153 0.6450 0.136 Uiso 1 1 calc R . .
H30B H 0.9119 0.0607 0.6885 0.136 Uiso 1 1 calc R . .
C31 C 0.935(2) 0.2095(19) 0.6894(11) 0.147(9) Uani 1 1 d U . .
H31A H 1.0094 0.1985 0.6820 0.176 Uiso 1 1 calc R . .
H31B H 0.9092 0.2632 0.6683 0.176 Uiso 1 1 calc R . .
C32 C 0.9190(14) 0.2265(16) 0.7397(8) 0.094(7) Uani 1 1 d . A .
H32A H 0.9317 0.2948 0.7475 0.113 Uiso 1 1 calc R . .
H32B H 0.9670 0.1872 0.7605 0.113 Uiso 1 1 calc R . .
O1 O 0.6950(9) 0.4037(8) 0.9579(4) 0.067(3) Uani 1 1 d . . .
O2 O 0.3689(8) 0.2895(8) 0.7905(5) 0.075(4) Uani 1 1 d . . .
O3 O 0.8173(8) 0.2028(9) 0.7506(5) 0.081(4) Uani 1 1 d . . .
 
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
Li1 0.047(14) 0.085(19) 0.062(19) 0.060(18) 0.002(14) 0.003(13)
Li2 0.08(2) 0.09(2) 0.09(3) -0.01(2) 0.02(2) -0.030(18)
Li3 0.039(15) 0.10(3) 0.07(2) 0.001(18) -0.023(15) 0.007(17)
C34 0.112(15) 0.112(15) 0.109(15) -0.001(5) -0.002(5) 0.000(5)
C34' 0.017(17) 0.014(17) 0.014(17) 0.000(5) -0.001(5) -0.002(5)
C33 0.054(10) 0.057(11) 0.104(16) -0.040(11) -0.010(10) 0.018(9)
C35 0.050(11) 0.091(17) 0.141(19) -0.042(14) -0.044(13) -0.011(11)
Sb1 0.0528(6) 0.0501(7) 0.0646(8) 0.0015(6) -0.0032(6) 0.0021(5)
Sb2 0.0474(6) 0.0634(8) 0.0667(8) 0.0097(6) 0.0003(5) -0.0084(5)
N1 0.042(6) 0.057(9) 0.065(8) 0.013(8) 0.005(6) -0.005(7)
N2 0.062(9) 0.052(9) 0.051(9) 0.003(7) 0.004(7) -0.008(8)
N3 0.049(7) 0.044(8) 0.046(7) 0.005(6) 0.005(7) -0.011(7)
N4 0.086(10) 0.073(11) 0.050(9) -0.001(8) -0.003(7) -0.031(9)
N5 0.051(8) 0.049(9) 0.056(9) 0.015(7) -0.008(7) -0.001(6)
N6 0.048(8) 0.039(8) 0.075(10) 0.004(7) -0.011(8) 0.005(8)
N7 0.074(8) 0.056(8) 0.034(8) -0.003(8) 0.001(7) -0.010(7)
N8 0.055(8) 0.033(8) 0.062(10) 0.003(7) 0.011(7) -0.008(6)
C1 0.055(10) 0.044(10) 0.056(11) 0.017(9) 0.005(9) -0.007(10)
C2 0.071(10) 0.054(10) 0.052(11) -0.008(11) 0.009(9) -0.005(9)
C3 0.065(13) 0.059(13) 0.070(14) 0.002(12) 0.016(10) 0.014(10)
C4 0.088(14) 0.068(13) 0.050(13) -0.007(10) -0.011(11) 0.028(12)
C5 0.062(9) 0.062(10) 0.050(11) -0.003(10) 0.003(11) -0.023(8)
C6 0.049(9) 0.028(10) 0.074(11) -0.013(9) -0.027(9) 0.015(9)
C7 0.047(10) 0.054(11) 0.070(13) -0.008(10) -0.004(9) -0.013(9)
C8 0.051(11) 0.088(16) 0.090(16) -0.012(12) -0.025(12) 0.011(12)
C9 0.066(12) 0.16(2) 0.046(12) -0.036(15) 0.011(9) -0.025(16)
C10 0.046(9) 0.075(13) 0.050(11) -0.015(10) -0.001(9) -0.004(10)
C11 0.063(11) 0.051(11) 0.031(10) -0.001(8) -0.003(8) 0.002(10)
C12 0.053(11) 0.062(13) 0.103(15) 0.008(12) 0.012(11) -0.001(10)
C13 0.063(13) 0.101(17) 0.118(18) 0.039(14) -0.002(12) 0.008(13)
C14 0.057(12) 0.101(17) 0.062(12) 0.005(12) -0.007(10) 0.023(12)
C15 0.048(11) 0.071(14) 0.102(15) -0.022(12) 0.022(12) -0.006(11)
C16 0.035(8) 0.042(10) 0.065(13) -0.016(10) 0.001(8) -0.009(8)
C17 0.037(8) 0.062(12) 0.076(13) -0.027(10) -0.005(9) -0.010(9)
C18 0.051(9) 0.057(11) 0.073(12) 0.029(10) 0.006(9) 0.004(9)
C19 0.060(11) 0.072(12) 0.039(10) -0.014(9) 0.002(8) -0.002(9)
C20 0.044(9) 0.060(12) 0.080(14) 0.021(10) -0.020(9) -0.019(9)
C21 0.10(2) 0.37(6) 0.16(3) 0.09(3) -0.002(19) -0.05(3)
C22 0.117(9) 0.120(9) 0.115(9) -0.004(5) -0.003(5) -0.001(5)
C23 0.066(11) 0.104(15) 0.068(12) -0.014(12) 0.006(9) -0.040(12)
C24 0.076(7) 0.083(7) 0.076(7) -0.010(5) -0.003(5) 0.007(5)
C25 0.084(12) 0.070(13) 0.060(12) 0.012(10) -0.005(11) -0.019(10)
C26 0.049(10) 0.070(13) 0.098(15) 0.013(13) 0.011(10) 0.002(9)
C27 0.060(13) 0.16(3) 0.11(2) 0.002(18) -0.001(12) 0.010(15)
C28 0.067(12) 0.056(12) 0.131(19) 0.009(12) -0.042(11) -0.007(10)
C29 0.075(12) 0.063(13) 0.082(14) -0.024(11) -0.005(10) 0.016(10)
C30 0.109(8) 0.113(9) 0.117(9) -0.007(5) 0.002(5) 0.004(5)
C31 0.146(10) 0.147(10) 0.148(10) -0.001(5) 0.004(5) 0.004(5)
C32 0.067(14) 0.120(18) 0.095(17) -0.034(14) 0.030(11) -0.028(12)
O1 0.077(8) 0.070(9) 0.055(8) -0.007(6) -0.001(6) -0.015(6)
O2 0.046(6) 0.067(8) 0.113(11) 0.005(7) -0.003(6) -0.004(6)
O3 0.049(7) 0.089(10) 0.106(10) -0.034(8) 0.017(7) -0.010(7)
 
_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
Li1 O2 2.00(2) . ?
Li1 N7 2.00(3) . ?
Li1 N3 2.08(4) . ?
Li1 N2 2.12(3) . ?
Li1 C16 2.77(3) . ?
Li1 Li3 2.86(4) . ?
Li1 Li2 2.89(4) . ?
Li1 Sb1 3.16(3) . ?
Li2 O3 1.87(4) . ?
Li2 N7 1.93(3) . ?
Li2 N5 2.02(3) . ?
Li2 C16 2.69(3) . ?
Li2 Li3 2.71(5) . ?
Li3 N5 2.00(3) . ?
Li3 N3 2.01(3) . ?
Li3 O1 2.12(3) . ?
Li3 N8 2.14(4) . ?
C34 C35 1.43(3) . ?
C34 C33 1.46(3) . ?
C34' C35 1.34(4) . ?
C34' C33 1.51(4) . ?
C33 Sb1 2.175(15) . ?
C35 Sb2 2.168(19) . ?
Sb1 N1 2.051(11) . ?
Sb1 N3 2.062(11) . ?
Sb2 N5 2.050(12) . ?
Sb2 N1 2.106(11) . ?
N1 C1 1.408(19) . ?
N2 C5 1.325(18) . ?
N2 C1 1.380(18) . ?
N3 C6 1.378(19) . ?
N4 C6 1.371(19) . ?
N4 C10 1.391(19) . ?
N5 C11 1.336(18) . ?
N6 C15 1.31(2) . ?
N6 C11 1.344(18) . ?
N7 C16 1.309(19) . ?
N8 C20 1.344(19) . ?
N8 C16 1.392(18) . ?
C1 C2 1.40(2) . ?
C2 C3 1.33(2) . ?
C3 C4 1.40(2) . ?
C4 C5 1.36(2) . ?
C6 C7 1.36(2) . ?
C7 C8 1.35(2) . ?
C8 C9 1.52(3) . ?
C9 C10 1.33(2) . ?
C11 C12 1.43(2) . ?
C12 C13 1.38(2) . ?
C13 C14 1.39(2) . ?
C14 C15 1.36(2) . ?
C16 C17 1.45(2) . ?
C17 C18 1.40(2) . ?
C18 C19 1.43(2) . ?
C19 C20 1.35(2) . ?
C21 C24 1.35(3) . ?
C21 C22 1.64(4) . ?
C22 C23 1.55(2) . ?
C23 O1 1.47(2) . ?
C24 O1 1.468(19) . ?
C25 O2 1.440(18) . ?
C25 C26 1.51(2) . ?
C26 C27 1.42(3) . ?
C27 C28 1.54(2) . ?
C28 O2 1.402(19) . ?
C29 O3 1.417(19) . ?
C29 C30 1.48(3) . ?
C30 C31 1.53(3) . ?
C31 C32 1.36(3) . ?
C32 O3 1.378(18) . ?
 
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
O2 Li1 N7 107.6(14) . . ?
O2 Li1 N3 113.0(14) . . ?
N7 Li1 N3 120.4(13) . . ?
O2 Li1 N2 105.6(13) . . ?
N7 Li1 N2 104.2(14) . . ?
N3 Li1 N2 104.8(12) . . ?
O2 Li1 C16 101.7(10) . . ?
N7 Li1 C16 26.0(5) . . ?
N3 Li1 C16 102.4(11) . . ?
N2 Li1 C16 129.5(13) . . ?
O2 Li1 Li3 142.2(14) . . ?
N7 Li1 Li3 76.6(10) . . ?
N3 Li1 Li3 44.8(9) . . ?
N2 Li1 Li3 109.7(12) . . ?
C16 Li1 Li3 65.3(9) . . ?
O2 Li1 Li2 147.1(16) . . ?
N7 Li1 Li2 41.8(8) . . ?
N3 Li1 Li2 96.9(12) . . ?
N2 Li1 Li2 78.4(11) . . ?
C16 Li1 Li2 56.6(8) . . ?
Li3 Li1 Li2 56.2(10) . . ?
O2 Li1 Sb1 110.2(10) . . ?
N7 Li1 Sb1 142.2(11) . . ?
N3 Li1 Sb1 40.1(6) . . ?
N2 Li1 Sb1 67.0(8) . . ?
C16 Li1 Sb1 138.0(11) . . ?
Li3 Li1 Sb1 72.8(10) . . ?
Li2 Li1 Sb1 101.4(9) . . ?
O3 Li2 N7 114.5(17) . . ?
O3 Li2 N5 116.5(15) . . ?
N7 Li2 N5 128.9(18) . . ?
O3 Li2 C16 123.0(15) . . ?
N7 Li2 C16 27.1(7) . . ?
N5 Li2 C16 112.8(16) . . ?
O3 Li2 Li3 162.7(17) . . ?
N7 Li2 Li3 81.6(13) . . ?
N5 Li2 Li3 47.4(10) . . ?
C16 Li2 Li3 68.5(11) . . ?
O3 Li2 Li1 134.6(19) . . ?
N7 Li2 Li1 43.7(9) . . ?
N5 Li2 Li1 98.0(14) . . ?
C16 Li2 Li1 59.4(8) . . ?
Li3 Li2 Li1 61.3(10) . . ?
N5 Li3 N3 118.1(16) . . ?
N5 Li3 O1 109.8(13) . . ?
N3 Li3 O1 108.1(15) . . ?
N5 Li3 N8 111.8(15) . . ?
N3 Li3 N8 107.0(13) . . ?
O1 Li3 N8 100.7(14) . . ?
N5 Li3 Li2 47.8(10) . . ?
N3 Li3 Li2 104.5(14) . . ?
O1 Li3 Li2 147.0(14) . . ?
N8 Li3 Li2 74.0(12) . . ?
N5 Li3 Li1 99.3(12) . . ?
N3 Li3 Li1 46.7(8) . . ?
O1 Li3 Li1 149.3(14) . . ?
N8 Li3 Li1 76.6(10) . . ?
Li2 Li3 Li1 62.5(11) . . ?
C35 C34 C33 116(3) . . ?
C35 C34' C33 119(3) . . ?
C34 C33 C34' 48.3(19) . . ?
C34 C33 Sb1 118.8(17) . . ?
C34' C33 Sb1 122.9(19) . . ?
C34' C35 C34 52(2) . . ?
C34' C35 Sb2 125(2) . . ?
C34 C35 Sb2 122.9(18) . . ?
N1 Sb1 N3 94.2(5) . . ?
N1 Sb1 C33 95.0(6) . . ?
N3 Sb1 C33 97.2(6) . . ?
N1 Sb1 Li1 76.0(6) . . ?
N3 Sb1 Li1 40.6(6) . . ?
C33 Sb1 Li1 134.0(7) . . ?
N5 Sb2 N1 91.1(5) . . ?
N5 Sb2 C35 101.2(8) . . ?
N1 Sb2 C35 93.4(6) . . ?
C1 N1 Sb1 114.5(9) . . ?
C1 N1 Sb2 111.0(10) . . ?
Sb1 N1 Sb2 130.8(7) . . ?
C5 N2 C1 117.3(13) . . ?
C5 N2 Li1 112.4(14) . . ?
C1 N2 Li1 121.6(13) . . ?
C6 N3 Li3 121.3(13) . . ?
C6 N3 Sb1 107.0(10) . . ?
Li3 N3 Sb1 122.8(11) . . ?
C6 N3 Li1 113.3(11) . . ?
Li3 N3 Li1 88.6(12) . . ?
Sb1 N3 Li1 99.3(8) . . ?
C6 N4 C10 122.0(15) . . ?
C11 N5 Li3 115.7(13) . . ?
C11 N5 Li2 113.7(14) . . ?
Li3 N5 Li2 84.7(13) . . ?
C11 N5 Sb2 104.4(10) . . ?
Li3 N5 Sb2 121.8(11) . . ?
Li2 N5 Sb2 116.2(12) . . ?
C15 N6 C11 118.1(14) . . ?
C16 N7 Li2 110.5(15) . . ?
C16 N7 Li1 111.8(12) . . ?
Li2 N7 Li1 94.5(13) . . ?
C20 N8 C16 119.4(14) . . ?
C20 N8 Li3 122.9(14) . . ?
C16 N8 Li3 117.3(13) . . ?
N2 C1 C2 118.1(15) . . ?
N2 C1 N1 116.6(13) . . ?
C2 C1 N1 125.0(15) . . ?
C3 C2 C1 122.4(16) . . ?
C2 C3 C4 119.4(17) . . ?
C5 C4 C3 115.8(17) . . ?
N2 C5 C4 126.4(15) . . ?
C7 C6 N4 120.7(16) . . ?
C7 C6 N3 123.7(14) . . ?
N4 C6 N3 115.1(15) . . ?
C8 C7 C6 121.1(18) . . ?
C7 C8 C9 117.5(19) . . ?
C10 C9 C8 119.6(17) . . ?
C9 C10 N4 118.9(17) . . ?
N5 C11 N6 118.1(14) . . ?
N5 C11 C12 122.0(16) . . ?
N6 C11 C12 119.9(15) . . ?
C13 C12 C11 119.7(17) . . ?
C12 C13 C14 118.4(18) . . ?
C15 C14 C13 117.7(17) . . ?
N6 C15 C14 126.3(17) . . ?
N7 C16 N8 118.3(14) . . ?
N7 C16 C17 125.1(15) . . ?
N8 C16 C17 116.5(15) . . ?
N7 C16 Li2 42.3(11) . . ?
N8 C16 Li2 86.6(11) . . ?
C17 C16 Li2 145.4(13) . . ?
N7 C16 Li1 42.2(9) . . ?
N8 C16 Li1 92.1(11) . . ?
C17 C16 Li1 134.4(11) . . ?
Li2 C16 Li1 63.9(10) . . ?
C18 C17 C16 121.3(14) . . ?
C17 C18 C19 119.4(15) . . ?
C20 C19 C18 115.7(16) . . ?
N8 C20 C19 127.7(16) . . ?
C24 C21 C22 103(2) . . ?
C23 C22 C21 104.5(19) . . ?
O1 C23 C22 103.7(15) . . ?
C21 C24 O1 111.5(19) . . ?
O2 C25 C26 106.5(14) . . ?
C27 C26 C25 107.7(15) . . ?
C26 C27 C28 105.0(16) . . ?
O2 C28 C27 106.6(15) . . ?
O3 C29 C30 104.3(16) . . ?
C29 C30 C31 103(2) . . ?
C32 C31 C30 102(2) . . ?
C31 C32 O3 108(2) . . ?
C24 O1 C23 109.9(12) . . ?
C24 O1 Li3 125.8(13) . . ?
C23 O1 Li3 123.8(12) . . ?
C28 O2 C25 107.5(13) . . ?
C28 O2 Li1 122.2(13) . . ?
C25 O2 Li1 122.5(12) . . ?
C32 O3 C29 109.3(13) . . ?
C32 O3 Li2 126.8(14) . . ?
C29 O3 Li2 123.8(14) . . ?
 
_diffrn_measured_fraction_theta_max    0.864
_diffrn_reflns_theta_full              26.96
_diffrn_measured_fraction_theta_full   0.864
_refine_diff_density_max    1.216
_refine_diff_density_min   -0.588
_refine_diff_density_rms    0.135