#------------------------------------------------------------------------------
#$Date: 2016-03-23 14:46:10 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179305 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/02/4320257.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4320257
loop_
_publ_author_name
'Harald Köhnlein'
'Andreas Purath'
'Christoph Klemp'
'Elke Baum'
'Ingo Krossing'
'Gregor Stösser'
'Hansgeorg Schnöckel'
_publ_contact_author
;
    Prof. Dr. H: Schnöckel
    Inst. f. Anorganische
    der Universität Karlsruhe (TH)
    Engesserstr. Geb. 30.45
    76128 Karlsruhe
    GERMANY
;
_publ_contact_author_email       hg@achpc9.chemie.uni-karlsruhe.de
_publ_contact_author_fax         '(49) 721 608 4854'
_publ_contact_author_phone       '(49) 721 608 2980'
_publ_section_title
;
 Synthesis and Characterization of an Al693- Cluster with 51 Naked Al
 Atoms: Analogies and Differences to the Previously Characterized Al772-
 Cluster
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4830
_journal_page_last               4838
_journal_paper_doi               10.1021/ic0104297
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C150 H372 Al69 Li3 N18 O12 Si36'
_chemical_formula_weight         5514.34
_chemical_name_systematic
;
   ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.11(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.172(6)
_cell_length_b                   37.665(8)
_cell_length_c                   31.502(6)
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      22.50
_cell_measurement_theta_min      2.07
_cell_volume                     34417(12)
_computing_data_collection       'Nonius software'
_computing_data_reduction        'Nonius software'
_computing_molecular_graphics    'Diamond 2.1'
_computing_publication_material  SHELX
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'NONIUS KAPPA CCD'
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0828
_diffrn_reflns_av_sigmaI/netI    0.1931
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            43008
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         2.07
_exptl_absorpt_coefficient_mu    0.345
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.064
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             11616
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.610
_refine_diff_density_min         -0.686
_refine_diff_density_rms         0.145
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.204
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1092
_refine_ls_number_reflns         22466
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.204
_refine_ls_R_factor_all          0.2523
_refine_ls_R_factor_gt           0.1296
_refine_ls_shift/su_max          0.082
_refine_ls_shift/su_mean         0.010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3705
_refine_ls_wR_factor_ref         0.4279
_reflns_number_gt                8787
_reflns_number_total             22466
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0104297_1.cif
_cod_data_source_block           hk34mo
_cod_database_code               4320257
loop_
_symmetry_equiv_pos_as_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'
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
Al1 Al 0.5000 -1.22276(14) 1.2500 0.079(2) Uani 1 2 d S . .
Al2 Al 0.53888(14) -1.27764(10) 1.20045(13) 0.0696(12) Uani 1 1 d . . .
Al3 Al 0.44480(14) -1.27501(10) 1.21267(13) 0.0692(12) Uani 1 1 d . . .
Al4 Al 0.59231(14) -1.22271(10) 1.23663(13) 0.0728(13) Uani 1 1 d . . .
Al5 Al 0.34010(14) -1.27233(10) 1.20615(13) 0.0687(12) Uani 1 1 d . . .
Al6 Al 0.56718(14) -1.33848(10) 1.24143(12) 0.0633(11) Uani 1 1 d . . .
Al7 Al 0.38607(14) -1.32572(10) 1.17760(12) 0.0674(12) Uani 1 1 d . . .
Al8 Al 0.68330(15) -1.22286(11) 1.23581(14) 0.0822(14) Uani 1 1 d . . .
Al9 Al 0.63504(14) -1.28287(11) 1.20630(13) 0.0724(12) Uani 1 1 d . . .
Al10 Al 0.48494(14) -1.33723(10) 1.18807(12) 0.0686(12) Uani 1 1 d . . .
Al11 Al 0.34259(14) -1.33768(10) 1.24545(12) 0.0674(12) Uani 1 1 d . . .
Al12 Al 0.5000 -1.38431(14) 1.2500 0.0680(16) Uani 1 2 d S . .
Al13 Al 0.56482(15) -1.20587(10) 1.31583(15) 0.0824(15) Uani 1 1 d . . .
Al14 Al 0.39276(15) -1.26191(11) 1.13599(14) 0.0787(13) Uani 1 1 d . . .
Al15 Al 0.28902(16) -1.21797(11) 1.17875(15) 0.0866(15) Uani 1 1 d . . .
Al16 Al 0.67617(15) -1.23920(12) 1.15394(14) 0.0874(15) Uani 1 1 d . . .
Al17 Al 0.64770(16) -1.17106(11) 1.27901(18) 0.0984(17) Uani 1 1 d . . .
Al18 Al 0.54544(15) -1.15443(12) 1.2556(2) 0.118(2) Uani 1 1 d . . .
Al19 Al 0.62458(16) -1.18199(12) 1.16987(16) 0.0984(17) Uani 1 1 d . . .
Al20 Al 0.58435(15) -1.24610(13) 1.13834(15) 0.0914(16) Uani 1 1 d . . .
Al21 Al 0.43654(17) -1.32540(13) 1.11280(14) 0.0964(17) Uani 1 1 d . . .
Al22 Al 0.59516(18) -1.13376(12) 1.3317(2) 0.125(2) Uani 1 1 d . . .
Al23 Al 0.60956(16) -1.12184(12) 1.2098(2) 0.118(2) Uani 1 1 d . . .
Al24 Al 0.64379(17) -1.19712(13) 1.36520(16) 0.1026(18) Uani 1 1 d . . .
Al25 Al 0.53193(16) -1.23742(15) 1.06538(16) 0.112(2) Uani 1 1 d . . .
Al26 Al 0.56853(18) -1.08437(12) 1.2702(3) 0.144(3) Uani 1 1 d . . .
Al27 Al 0.48873(16) -1.26962(15) 1.12607(16) 0.112(2) Uani 1 1 d . . .
Al28 Al 0.5000 -1.04357(18) 1.2500 0.191(6) Uani 1 2 d S . .
Al29 Al 0.52721(17) -1.19360(18) 1.1792(2) 0.139(3) Uani 1 1 d . . .
Al31 Al 0.53520(17) -1.20332(15) 1.39804(17) 0.117(2) Uani 1 1 d . . .
Al33 Al 0.65571(17) -1.10156(12) 1.2837(2) 0.125(2) Uani 1 1 d . . .
Al34 Al 0.55605(17) -1.17723(15) 1.10371(19) 0.123(2) Uani 1 1 d . . .
Al35 Al 0.59846(18) -1.15402(16) 1.4140(2) 0.132(2) Uani 1 1 d . . .
Al36 Al 0.57415(18) -1.11051(16) 1.1299(2) 0.159(3) Uani 1 1 d . . .
Al37 Al 0.48456(18) -1.13737(16) 1.1298(2) 0.131(2) Uani 1 1 d . . .
Al38 Al 0.51522(17) -1.10155(13) 1.1970(2) 0.142(3) Uani 1 1 d . . .
Si1 Si 0.53252(19) -1.45578(11) 1.28974(15) 0.1059(17) Uani 1 1 d . . .
Si3 Si 0.31271(19) -1.40840(13) 1.28288(18) 0.1189(19) Uani 1 1 d . . .
Si4 Si 0.24912(18) -1.37107(13) 1.21559(16) 0.1039(16) Uani 1 1 d . . .
Si5 Si 0.18895(17) -1.19640(12) 1.19349(18) 0.1150(18) Uani 1 1 d . . .
Si6 Si 0.20736(16) -1.23798(13) 1.11510(15) 0.0984(16) Uani 1 1 d . . .
Si7 Si 0.3725(2) -1.36373(14) 1.04314(14) 0.1079(18) Uani 1 1 d . . .
Si8 Si 0.4763(2) -1.37727(19) 1.05085(15) 0.148(3) Uani 1 1 d . . .
Si9 Si 0.47991(18) -1.24542(18) 0.97629(16) 0.139(2) Uani 1 1 d . . .
Si10 Si 0.58329(19) -1.2466(2) 0.98588(17) 0.154(3) Uani 1 1 d . . .
Si11 Si 0.7334(2) -1.29287(16) 1.11067(15) 0.120(2) Uani 1 1 d . . .
Si12 Si 0.76563(18) -1.21710(18) 1.11612(18) 0.136(2) Uani 1 1 d . . .
Si13 Si 0.6693(2) -1.14983(18) 1.4921(2) 0.149(3) Uani 1 1 d . . .
Si14 Si 0.5980(2) -1.0914(2) 1.4799(3) 0.200(4) Uani 1 1 d . . .
Si15 Si 0.6194(4) -1.0959(2) 1.0493(4) 0.324(9) Uani 1 1 d D . .
Si16 Si 0.5819(3) -1.0343(2) 1.0935(3) 0.197(4) Uani 1 1 d D . .
Si17 Si 0.4525(3) -0.97228(18) 1.2349(4) 0.227(5) Uani 1 1 d . . .
Si19 Si 0.73172(17) -1.05655(13) 1.2491(2) 0.143(3) Uani 1 1 d D . .
Si20 Si 0.7250(2) -1.06117(14) 1.3425(3) 0.161(3) Uani 1 1 d D . .
N1 N 0.5000 -1.4331(4) 1.2500 0.078(5) Uani 1 2 d S . .
N2 N 0.2990(4) -1.3729(3) 1.2511(3) 0.077(3) Uani 1 1 d . . .
N3 N 0.2262(4) -1.2164(3) 1.1612(4) 0.090(4) Uani 1 1 d . . .
N4 N 0.4273(5) -1.3560(3) 1.0658(3) 0.102(4) Uani 1 1 d . . .
N5 N 0.5328(4) -1.2442(4) 1.0085(3) 0.126(6) Uani 1 1 d . . .
N6 N 0.7242(4) -1.2506(4) 1.1231(3) 0.097(4) Uani 1 1 d . . .
N7 N 0.6213(5) -1.1314(4) 1.4627(5) 0.137(6) Uani 1 1 d . . .
N8 N 0.5941(6) -1.0783(5) 1.0927(7) 0.214(11) Uani 1 1 d . . .
N9 N 0.5000 -0.9949(5) 1.2500 0.26(2) Uani 1 2 d S . .
N10 N 0.7047(4) -1.0739(3) 1.2909(5) 0.127(5) Uani 1 1 d . . .
C1A C 0.5795(6) -1.4276(4) 1.3197(5) 0.121(6) Uani 1 1 d . . .
H1A1 H 0.6001 -1.4191 1.3002 0.182 Uiso 1 1 calc R . .
H1A2 H 0.5963 -1.4417 1.3415 0.182 Uiso 1 1 calc R . .
H1A3 H 0.5657 -1.4077 1.3327 0.182 Uiso 1 1 calc R . .
C1B C 0.5636(7) -1.4951(4) 1.2676(6) 0.163(9) Uani 1 1 d . . .
H1B1 H 0.5416 -1.5103 1.2517 0.245 Uiso 1 1 calc R . .
H1B2 H 0.5796 -1.5083 1.2907 0.245 Uiso 1 1 calc R . .
H1B3 H 0.5854 -1.4866 1.2491 0.245 Uiso 1 1 calc R . .
C1C C 0.4924(7) -1.4697(5) 1.3307(6) 0.179(10) Uani 1 1 d . . .
H1C1 H 0.4677 -1.4838 1.3170 0.269 Uiso 1 1 calc R . .
H1C2 H 0.4799 -1.4490 1.3429 0.269 Uiso 1 1 calc R . .
H1C3 H 0.5093 -1.4834 1.3528 0.269 Uiso 1 1 calc R . .
C3A C 0.3716(7) -1.4039(6) 1.3130(7) 0.206(12) Uani 1 1 d . . .
H3A1 H 0.3940 -1.4003 1.2933 0.309 Uiso 1 1 calc R . .
H3A2 H 0.3790 -1.4252 1.3291 0.309 Uiso 1 1 calc R . .
H3A3 H 0.3719 -1.3840 1.3321 0.309 Uiso 1 1 calc R . .
C3B C 0.2686(8) -1.4144(6) 1.3200(7) 0.206(11) Uani 1 1 d . . .
H3B1 H 0.2389 -1.4174 1.3040 0.309 Uiso 1 1 calc R . .
H3B2 H 0.2680 -1.3939 1.3380 0.309 Uiso 1 1 calc R . .
H3B3 H 0.2758 -1.4351 1.3373 0.309 Uiso 1 1 calc R . .
C3C C 0.3151(8) -1.4495(5) 1.2528(9) 0.231(14) Uani 1 1 d . . .
H3C1 H 0.3358 -1.4466 1.2313 0.347 Uiso 1 1 calc R . .
H3C2 H 0.2848 -1.4551 1.2394 0.347 Uiso 1 1 calc R . .
H3C3 H 0.3258 -1.4683 1.2717 0.347 Uiso 1 1 calc R . .
C4A C 0.2220(6) -1.3265(5) 1.2120(6) 0.164(9) Uani 1 1 d . . .
H4A1 H 0.2431 -1.3097 1.2021 0.246 Uiso 1 1 calc R . .
H4A2 H 0.2143 -1.3195 1.2397 0.246 Uiso 1 1 calc R . .
H4A3 H 0.1945 -1.3273 1.1924 0.246 Uiso 1 1 calc R . .
C4B C 0.2027(6) -1.3985(5) 1.2332(7) 0.167(9) Uani 1 1 d . . .
H4B1 H 0.2132 -1.4225 1.2371 0.251 Uiso 1 1 calc R . .
H4B2 H 0.1765 -1.3979 1.2120 0.251 Uiso 1 1 calc R . .
H4B3 H 0.1940 -1.3894 1.2597 0.251 Uiso 1 1 calc R . .
C4C C 0.2589(7) -1.3856(7) 1.1617(6) 0.194(11) Uani 1 1 d . . .
H4C1 H 0.2723 -1.4089 1.1631 0.292 Uiso 1 1 calc R . .
H4C2 H 0.2795 -1.3693 1.1499 0.292 Uiso 1 1 calc R . .
H4C3 H 0.2301 -1.3861 1.1439 0.292 Uiso 1 1 calc R . .
C5A C 0.1362(6) -1.1768(5) 1.1607(7) 0.170(9) Uani 1 1 d . . .
H5A1 H 0.1460 -1.1596 1.1410 0.255 Uiso 1 1 calc R . .
H5A2 H 0.1167 -1.1656 1.1794 0.255 Uiso 1 1 calc R . .
H5A3 H 0.1195 -1.1954 1.1450 0.255 Uiso 1 1 calc R . .
C5B C 0.2180(6) -1.1583(4) 1.2288(6) 0.139(7) Uani 1 1 d . . .
H5B1 H 0.2303 -1.1409 1.2109 0.208 Uiso 1 1 calc R . .
H5B2 H 0.2424 -1.1680 1.2483 0.208 Uiso 1 1 calc R . .
H5B3 H 0.1955 -1.1474 1.2447 0.208 Uiso 1 1 calc R . .
C5C C 0.1677(6) -1.2295(4) 1.2316(6) 0.146(8) Uani 1 1 d . . .
H5C1 H 0.1527 -1.2488 1.2158 0.219 Uiso 1 1 calc R . .
H5C2 H 0.1462 -1.2182 1.2483 0.219 Uiso 1 1 calc R . .
H5C3 H 0.1933 -1.2384 1.2502 0.219 Uiso 1 1 calc R . .
C6A C 0.2543(5) -1.2682(5) 1.0995(5) 0.118(6) Uani 1 1 d . . .
H6A1 H 0.2615 -1.2855 1.1216 0.177 Uiso 1 1 calc R . .
H6A2 H 0.2813 -1.2544 1.0959 0.177 Uiso 1 1 calc R . .
H6A3 H 0.2439 -1.2800 1.0733 0.177 Uiso 1 1 calc R . .
C6B C 0.1555(5) -1.2655(4) 1.1194(5) 0.114(6) Uani 1 1 d . . .
H6B1 H 0.1616 -1.2821 1.1425 0.171 Uiso 1 1 calc R . .
H6B2 H 0.1479 -1.2782 1.0932 0.171 Uiso 1 1 calc R . .
H6B3 H 0.1302 -1.2505 1.1248 0.171 Uiso 1 1 calc R . .
C6C C 0.1947(6) -1.2066(6) 1.0706(6) 0.170(10) Uani 1 1 d . . .
H6C1 H 0.2214 -1.1922 1.0678 0.256 Uiso 1 1 calc R . .
H6C2 H 0.1694 -1.1916 1.0763 0.256 Uiso 1 1 calc R . .
H6C3 H 0.1867 -1.2195 1.0447 0.256 Uiso 1 1 calc R . .
C7A C 0.3686(6) -1.3756(4) 0.9844(4) 0.124(7) Uani 1 1 d . . .
H7A1 H 0.3807 -1.3565 0.9688 0.186 Uiso 1 1 calc R . .
H7A2 H 0.3369 -1.3796 0.9737 0.186 Uiso 1 1 calc R . .
H7A3 H 0.3861 -1.3968 0.9808 0.186 Uiso 1 1 calc R . .
C7B C 0.3341(5) -1.3264(5) 1.0467(4) 0.123(7) Uani 1 1 d . . .
H7B1 H 0.3460 -1.3061 1.0330 0.184 Uiso 1 1 calc R . .
H7B2 H 0.3317 -1.3210 1.0762 0.184 Uiso 1 1 calc R . .
H7B3 H 0.3041 -1.3322 1.0328 0.184 Uiso 1 1 calc R . .
C7C C 0.3466(6) -1.4008(4) 1.0688(5) 0.133(7) Uani 1 1 d . . .
H7C1 H 0.3660 -1.4214 1.0680 0.199 Uiso 1 1 calc R . .
H7C2 H 0.3169 -1.4059 1.0540 0.199 Uiso 1 1 calc R . .
H7C3 H 0.3433 -1.3949 1.0979 0.199 Uiso 1 1 calc R . .
C8A C 0.4922(6) -1.3615(6) 1.0004(5) 0.166(9) Uani 1 1 d . . .
H8A1 H 0.4990 -1.3366 1.0025 0.248 Uiso 1 1 calc R . .
H8A2 H 0.4671 -1.3654 0.9786 0.248 Uiso 1 1 calc R . .
H8A3 H 0.5189 -1.3742 0.9933 0.248 Uiso 1 1 calc R . .
C8B C 0.4650(8) -1.4261(5) 1.0461(6) 0.176(10) Uani 1 1 d . . .
H8B1 H 0.4560 -1.4350 1.0726 0.263 Uiso 1 1 calc R . .
H8B2 H 0.4926 -1.4381 1.0397 0.263 Uiso 1 1 calc R . .
H8B3 H 0.4408 -1.4304 1.0237 0.263 Uiso 1 1 calc R . .
C8C C 0.5285(6) -1.3713(6) 1.0898(6) 0.197(12) Uani 1 1 d . . .
H8C1 H 0.5220 -1.3793 1.1175 0.296 Uiso 1 1 calc R . .
H8C2 H 0.5368 -1.3466 1.0913 0.296 Uiso 1 1 calc R . .
H8C3 H 0.5535 -1.3848 1.0808 0.296 Uiso 1 1 calc R . .
C9A C 0.4307(5) -1.2676(5) 1.0033(5) 0.123(7) Uani 1 1 d . . .
H9A1 H 0.4391 -1.2916 1.0110 0.185 Uiso 1 1 calc R . .
H9A2 H 0.4030 -1.2677 0.9839 0.185 Uiso 1 1 calc R . .
H9A3 H 0.4255 -1.2546 1.0286 0.185 Uiso 1 1 calc R . .
C9B C 0.4620(6) -1.1994(5) 0.9606(6) 0.167(9) Uani 1 1 d . . .
H9B1 H 0.4860 -1.1881 0.9469 0.251 Uiso 1 1 calc R . .
H9B2 H 0.4566 -1.1861 0.9856 0.251 Uiso 1 1 calc R . .
H9B3 H 0.4343 -1.2001 0.9413 0.251 Uiso 1 1 calc R . .
C9C C 0.4819(7) -1.2713(6) 0.9247(5) 0.182(11) Uani 1 1 d . . .
H9C1 H 0.5056 -1.2617 0.9091 0.273 Uiso 1 1 calc R . .
H9C2 H 0.4527 -1.2695 0.9078 0.273 Uiso 1 1 calc R . .
H9C3 H 0.4885 -1.2958 0.9313 0.273 Uiso 1 1 calc R . .
C10A C 0.5847(7) -1.2080(9) 0.9427(7) 0.32(2) Uani 1 1 d . . .
H10A H 0.5605 -1.2118 0.9200 0.479 Uiso 1 1 calc R . .
H10B H 0.6139 -1.2081 0.9313 0.479 Uiso 1 1 calc R . .
H10C H 0.5802 -1.1855 0.9560 0.479 Uiso 1 1 calc R . .
C10B C 0.6339(6) -1.2263(7) 1.0232(6) 0.230(16) Uani 1 1 d . . .
H10D H 0.6256 -1.2029 1.0318 0.346 Uiso 1 1 calc R . .
H10E H 0.6608 -1.2249 1.0082 0.346 Uiso 1 1 calc R . .
H10F H 0.6403 -1.2410 1.0479 0.346 Uiso 1 1 calc R . .
C10C C 0.6001(6) -1.2900(7) 0.9738(7) 0.187(11) Uani 1 1 d . . .
H10G H 0.5772 -1.3004 0.9533 0.281 Uiso 1 1 calc R . .
H10H H 0.6032 -1.3041 0.9993 0.281 Uiso 1 1 calc R . .
H10I H 0.6292 -1.2892 0.9620 0.281 Uiso 1 1 calc R . .
C11A C 0.6787(6) -1.3183(5) 1.0977(5) 0.136(7) Uani 1 1 d . . .
H11A H 0.6591 -1.3151 1.1201 0.204 Uiso 1 1 calc R . .
H11B H 0.6856 -1.3431 1.0951 0.204 Uiso 1 1 calc R . .
H11C H 0.6631 -1.3099 1.0712 0.204 Uiso 1 1 calc R . .
C11B C 0.7679(8) -1.3036(7) 1.0660(6) 0.222(13) Uani 1 1 d . . .
H11D H 0.7537 -1.2931 1.0401 0.334 Uiso 1 1 calc R . .
H11E H 0.7692 -1.3289 1.0625 0.334 Uiso 1 1 calc R . .
H11F H 0.7985 -1.2944 1.0723 0.334 Uiso 1 1 calc R . .
C11C C 0.7648(7) -1.3155(5) 1.1549(6) 0.160(8) Uani 1 1 d . . .
H11G H 0.7487 -1.3130 1.1798 0.240 Uiso 1 1 calc R . .
H11H H 0.7950 -1.3052 1.1605 0.240 Uiso 1 1 calc R . .
H11I H 0.7675 -1.3402 1.1482 0.240 Uiso 1 1 calc R . .
C12A C 0.8273(5) -1.2333(8) 1.1376(6) 0.242(16) Uani 1 1 d . . .
H12A H 0.8277 -1.2401 1.1670 0.364 Uiso 1 1 calc R . .
H12B H 0.8490 -1.2145 1.1352 0.364 Uiso 1 1 calc R . .
H12C H 0.8355 -1.2534 1.1212 0.364 Uiso 1 1 calc R . .
C12B C 0.7651(6) -1.2024(6) 1.0586(6) 0.185(11) Uani 1 1 d . . .
H12D H 0.7676 -1.2228 1.0407 0.277 Uiso 1 1 calc R . .
H12E H 0.7906 -1.1867 1.0560 0.277 Uiso 1 1 calc R . .
H12F H 0.7367 -1.1902 1.0499 0.277 Uiso 1 1 calc R . .
C12C C 0.7589(8) -1.1759(6) 1.1477(7) 0.209(12) Uani 1 1 d . . .
H12G H 0.7591 -1.1819 1.1773 0.314 Uiso 1 1 calc R . .
H12H H 0.7302 -1.1647 1.1378 0.314 Uiso 1 1 calc R . .
H12I H 0.7839 -1.1600 1.1441 0.314 Uiso 1 1 calc R . .
C13A C 0.6749(7) -1.1991(5) 1.4876(6) 0.166(9) Uani 1 1 d . . .
H13A H 0.6736 -1.2056 1.4580 0.249 Uiso 1 1 calc R . .
H13B H 0.6501 -1.2104 1.5001 0.249 Uiso 1 1 calc R . .
H13C H 0.7038 -1.2066 1.5022 0.249 Uiso 1 1 calc R . .
C13B C 0.7226(6) -1.1289(7) 1.4665(7) 0.203(12) Uani 1 1 d . . .
H13D H 0.7191 -1.1332 1.4362 0.304 Uiso 1 1 calc R . .
H13E H 0.7506 -1.1396 1.4791 0.304 Uiso 1 1 calc R . .
H13F H 0.7236 -1.1038 1.4717 0.304 Uiso 1 1 calc R . .
C13C C 0.6740(8) -1.1421(6) 1.5521(6) 0.192(11) Uani 1 1 d . . .
H13G H 0.6725 -1.1171 1.5577 0.288 Uiso 1 1 calc R . .
H13H H 0.7027 -1.1514 1.5651 0.288 Uiso 1 1 calc R . .
H13I H 0.6490 -1.1539 1.5638 0.288 Uiso 1 1 calc R . .
C14A C 0.5578(8) -1.0641(8) 1.4334(13) 0.36(3) Uani 1 1 d . . .
H14A H 0.5749 -1.0601 1.4095 0.542 Uiso 1 1 calc R . .
H14B H 0.5489 -1.0417 1.4447 0.542 Uiso 1 1 calc R . .
H14C H 0.5307 -1.0777 1.4244 0.542 Uiso 1 1 calc R . .
C14B C 0.6449(7) -1.0586(5) 1.4991(7) 0.177(10) Uani 1 1 d . . .
H14D H 0.6648 -1.0550 1.4770 0.266 Uiso 1 1 calc R . .
H14E H 0.6625 -1.0677 1.5241 0.266 Uiso 1 1 calc R . .
H14F H 0.6312 -1.0364 1.5057 0.266 Uiso 1 1 calc R . .
C14C C 0.5627(8) -1.0983(6) 1.5266(8) 0.233(15) Uani 1 1 d . . .
H14G H 0.5369 -1.1135 1.5179 0.350 Uiso 1 1 calc R . .
H14H H 0.5517 -1.0758 1.5356 0.350 Uiso 1 1 calc R . .
H14I H 0.5816 -1.1092 1.5499 0.350 Uiso 1 1 calc R . .
C15A C 0.6658(7) -1.1268(7) 1.0710(9) 0.282(19) Uani 1 1 d D . .
H15A H 0.6535 -1.1436 1.0897 0.424 Uiso 1 1 calc R . .
H15B H 0.6903 -1.1136 1.0865 0.424 Uiso 1 1 calc R . .
H15C H 0.6777 -1.1392 1.0479 0.424 Uiso 1 1 calc R . .
C15C C 0.6449(12) -1.0616(9) 1.0158(16) 0.56(5) Uani 1 1 d D . .
H15D H 0.6210 -1.0457 1.0040 0.841 Uiso 1 1 calc R . .
H15E H 0.6586 -1.0730 0.9931 0.841 Uiso 1 1 calc R . .
H15F H 0.6679 -1.0483 1.0331 0.841 Uiso 1 1 calc R . .
C15B C 0.5770(8) -1.1189(7) 1.0103(6) 0.31(3) Uani 1 1 d D . .
H15G H 0.5529 -1.1027 1.0002 0.465 Uiso 1 1 calc R . .
H15H H 0.5640 -1.1387 1.0240 0.465 Uiso 1 1 calc R . .
H15I H 0.5923 -1.1272 0.9867 0.465 Uiso 1 1 calc R . .
C16A C 0.5492(6) -1.0155(6) 1.0449(6) 0.206(13) Uani 1 1 d D . .
H16A H 0.5669 -1.0182 1.0211 0.309 Uiso 1 1 calc R . .
H16B H 0.5435 -0.9907 1.0494 0.309 Uiso 1 1 calc R . .
H16C H 0.5204 -1.0278 1.0392 0.309 Uiso 1 1 calc R . .
C16B C 0.5419(10) -1.0252(6) 1.1426(10) 0.28(2) Uani 1 1 d . . .
H16D H 0.5573 -1.0344 1.1687 0.426 Uiso 1 1 calc R . .
H16E H 0.5127 -1.0368 1.1364 0.426 Uiso 1 1 calc R . .
H16F H 0.5372 -1.0001 1.1454 0.426 Uiso 1 1 calc R . .
C16C C 0.6079(13) -1.0149(7) 1.1218(8) 0.30(3) Uani 1 1 d . . .
H16G H 0.6194 -1.0296 1.1455 0.455 Uiso 1 1 calc R . .
H16H H 0.5898 -0.9960 1.1317 0.455 Uiso 1 1 calc R . .
H16I H 0.6333 -1.0052 1.1087 0.455 Uiso 1 1 calc R . .
C17A C 0.4098(10) -0.9982(8) 1.1887(16) 0.45(4) Uani 1 1 d . . .
H17A H 0.4272 -1.0052 1.1658 0.673 Uiso 1 1 calc R . .
H17B H 0.3853 -0.9825 1.1778 0.673 Uiso 1 1 calc R . .
H17C H 0.3970 -1.0188 1.2008 0.673 Uiso 1 1 calc R . .
C17B C 0.4181(8) -0.9553(6) 1.2768(8) 0.211(11) Uani 1 1 d . . .
H17D H 0.4376 -0.9416 1.2971 0.317 Uiso 1 1 calc R . .
H17E H 0.4053 -0.9749 1.2910 0.317 Uiso 1 1 calc R . .
H17F H 0.3936 -0.9406 1.2639 0.317 Uiso 1 1 calc R . .
C17C C 0.4720(8) -0.9310(5) 1.1979(15) 0.42(4) Uani 1 1 d . . .
H17G H 0.4959 -0.9175 1.2138 0.636 Uiso 1 1 calc R . .
H17H H 0.4459 -0.9159 1.1901 0.636 Uiso 1 1 calc R . .
H17I H 0.4832 -0.9403 1.1726 0.636 Uiso 1 1 calc R . .
C19A C 0.7974(5) -1.0520(5) 1.2611(8) 0.173(10) Uani 1 1 d . . .
H19A H 0.8043 -1.0371 1.2857 0.260 Uiso 1 1 calc R . .
H19B H 0.8098 -1.0415 1.2370 0.260 Uiso 1 1 calc R . .
H19C H 0.8108 -1.0750 1.2667 0.260 Uiso 1 1 calc R . .
C19B C 0.7241(6) -1.0844(4) 1.2010(7) 0.159(9) Uani 1 1 d . . .
H19D H 0.6918 -1.0880 1.1928 0.239 Uiso 1 1 calc R . .
H19E H 0.7387 -1.1070 1.2069 0.239 Uiso 1 1 calc R . .
H19F H 0.7377 -1.0729 1.1783 0.239 Uiso 1 1 calc R . .
C19C C 0.7085(6) -1.0132(5) 1.2318(7) 0.170(9) Uani 1 1 d . . .
H19G H 0.7107 -0.9973 1.2558 0.255 Uiso 1 1 calc R . .
H19H H 0.6768 -1.0158 1.2206 0.255 Uiso 1 1 calc R . .
H19I H 0.7258 -1.0039 1.2101 0.255 Uiso 1 1 calc R . .
C20A C 0.6796(7) -1.0661(6) 1.3811(7) 0.210(13) Uani 1 1 d . . .
H20A H 0.6915 -1.0806 1.4048 0.315 Uiso 1 1 calc R . .
H20B H 0.6526 -1.0770 1.3667 0.315 Uiso 1 1 calc R . .
H20C H 0.6718 -1.0431 1.3913 0.315 Uiso 1 1 calc R . .
C20B C 0.7414(7) -1.0120(5) 1.3486(9) 0.216(13) Uani 1 1 d . . .
H20D H 0.7161 -0.9976 1.3366 0.324 Uiso 1 1 calc R . .
H20E H 0.7680 -1.0074 1.3339 0.324 Uiso 1 1 calc R . .
H20F H 0.7484 -1.0064 1.3783 0.324 Uiso 1 1 calc R . .
C20C C 0.7736(7) -1.0909(6) 1.3700(8) 0.209(12) Uani 1 1 d . . .
H20G H 0.7993 -1.0910 1.3533 0.314 Uiso 1 1 calc R . .
H20H H 0.7623 -1.1147 1.3723 0.314 Uiso 1 1 calc R . .
H20I H 0.7833 -1.0818 1.3979 0.314 Uiso 1 1 calc R . .
C109 C 0.5803(10) -1.0693(11) 0.9070(7) 0.317(19) Uiso 1 1 d G . .
C110 C 0.5787(8) -1.1059(10) 0.9012(7) 0.38(2) Uiso 1 1 d G . .
H110 H 0.5525 -1.1185 0.9062 0.461 Uiso 1 1 calc R . .
C111 C 0.6164(13) -1.1236(5) 0.8877(7) 0.263(14) Uiso 1 1 d G . .
H111 H 0.6154 -1.1480 0.8838 0.316 Uiso 1 1 calc R . .
C112 C 0.6557(9) -1.1047(9) 0.8802(6) 0.305(17) Uiso 1 1 d G . .
H112 H 0.6809 -1.1165 0.8712 0.366 Uiso 1 1 calc R . .
C113 C 0.6573(9) -1.0681(9) 0.8861(7) 0.280(15) Uiso 1 1 d G . .
H113 H 0.6835 -1.0555 0.8810 0.335 Uiso 1 1 calc R . .
C114 C 0.6196(14) -1.0504(5) 0.8995(8) 0.47(3) Uiso 1 1 d G . .
H114 H 0.6206 -1.0260 0.9034 0.559 Uiso 1 1 calc R . .
C115 C 0.5424(16) -1.0478(13) 0.9231(16) 0.46(3) Uiso 1 1 d . . .
H15G H 0.5514 -1.0232 0.9249 0.687 Uiso 1 1 calc R . .
H15H H 0.5368 -1.0561 0.9509 0.687 Uiso 1 1 calc R . .
H15I H 0.5148 -1.0501 0.9038 0.687 Uiso 1 1 calc R . .
C116 C 0.5908(9) -0.5553(6) 1.1135(9) 0.218(11) Uiso 1 1 d G . .
C117 C 0.5610(8) -0.5453(8) 1.0782(8) 0.265(14) Uiso 1 1 d G . .
H117 H 0.5442 -0.5624 1.0620 0.318 Uiso 1 1 calc R . .
C118 C 0.5564(7) -0.5096(9) 1.0671(6) 0.286(16) Uiso 1 1 d G . .
H118 H 0.5365 -0.5029 1.0434 0.343 Uiso 1 1 calc R . .
C119 C 0.5816(11) -0.4840(5) 1.0913(11) 0.51(4) Uiso 1 1 d G . .
H119 H 0.5786 -0.4602 1.0839 0.615 Uiso 1 1 calc R . .
C120 C 0.6114(9) -0.4941(9) 1.1266(9) 0.34(2) Uiso 1 1 d G . .
H120 H 0.6283 -0.4770 1.1428 0.408 Uiso 1 1 calc R . .
C121 C 0.6160(7) -0.5297(10) 1.1377(6) 0.34(2) Uiso 1 1 d G . .
H121 H 0.6360 -0.5365 1.1614 0.408 Uiso 1 1 calc R . .
C122 C 0.5852(11) -0.5943(9) 1.1150(10) 0.294(17) Uiso 1 1 d . . .
H16D H 0.6043 -0.6037 1.1391 0.441 Uiso 1 1 calc R . .
H16E H 0.5941 -0.6046 1.0892 0.441 Uiso 1 1 calc R . .
H16F H 0.5536 -0.5999 1.1176 0.441 Uiso 1 1 calc R . .
C123 C 1.0891(8) 0.1155(7) 0.7917(8) 0.44(3) Uiso 1 1 d G . .
C124 C 1.0993(8) 0.1483(7) 0.8106(9) 0.312(18) Uiso 1 1 d G . .
H124 H 1.1238 0.1616 0.8027 0.375 Uiso 1 1 calc R . .
C125 C 1.0729(13) 0.1611(8) 0.8415(8) 0.51(4) Uiso 1 1 d G . .
H125 H 1.0797 0.1830 0.8542 0.618 Uiso 1 1 calc R . .
C126 C 1.0363(11) 0.1411(11) 0.8534(7) 0.39(2) Uiso 1 1 d G . .
H126 H 1.0186 0.1497 0.8741 0.463 Uiso 1 1 calc R . .
C127 C 1.0261(10) 0.1083(11) 0.8345(11) 0.75(7) Uiso 1 1 d G . .
H127 H 1.0016 0.0949 0.8424 0.905 Uiso 1 1 calc R . .
C128 C 1.0525(11) 0.0955(7) 0.8036(11) 0.72(6) Uiso 1 1 d G . .
H128 H 1.0457 0.0736 0.7909 0.868 Uiso 1 1 calc R . .
C129 C 1.0889(12) 0.1144(11) 0.7453(9) 0.48(3) Uiso 1 1 d G . .
H12J H 1.0816 0.0908 0.7353 0.718 Uiso 1 1 calc R . .
H12K H 1.1187 0.1209 0.7377 0.718 Uiso 1 1 calc R . .
H12L H 1.0662 0.1306 0.7324 0.718 Uiso 1 1 calc R . .
Li1 Li 0.6757 -0.4584 0.9640 0.168(14) Uiso 1 1 d . . .
O1A O 0.6613 -0.4069 0.9687 1.01(4) Uiso 1 1 d . . .
O1B O 0.7050 -0.4770 1.0199 1.01(4) Uiso 1 1 d . . .
O1C O 0.6165 -0.4840 0.9470 1.01(4) Uiso 1 1 d . . .
O1D O 0.7180 -0.4650 0.9170 1.01(4) Uiso 1 1 d . . .
Li2 Li 1.0000 0.3034 0.7500 0.130(15) Uiso 1 2 d S . .
O2A O 0.9464 0.3360 0.7540 0.81(3) Uiso 1 1 d . . .
O2B O 1.0045 0.2690 0.8010 0.81(3) Uiso 1 1 d . . .
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'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'
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
Al29 Al1 Al29 131.6(4) 2_657 . ?
Al29 Al1 Al13 60.98(15) 2_657 . ?
Al29 Al1 Al13 107.10(19) . . ?
Al29 Al1 Al13 107.10(19) 2_657 2_657 ?
Al29 Al1 Al13 60.98(15) . 2_657 ?
Al13 Al1 Al13 153.0(3) . 2_657 ?
Al29 Al1 Al3 116.15(14) 2_657 . ?
Al29 Al1 Al3 98.66(19) . . ?
Al13 Al1 Al3 145.6(2) . . ?
Al13 Al1 Al3 60.74(12) 2_657 . ?
Al29 Al1 Al3 98.66(19) 2_657 2_657 ?
Al29 Al1 Al3 116.15(14) . 2_657 ?
Al13 Al1 Al3 60.74(12) . 2_657 ?
Al13 Al1 Al3 145.6(2) 2_657 2_657 ?
Al3 Al1 Al3 87.7(2) . 2_657 ?
Al29 Al1 Al4 59.63(14) 2_657 2_657 ?
Al29 Al1 Al4 120.33(16) . 2_657 ?
Al13 Al1 Al4 119.38(12) . 2_657 ?
Al13 Al1 Al4 60.60(12) 2_657 2_657 ?
Al3 Al1 Al4 61.79(12) . 2_657 ?
Al3 Al1 Al4 118.28(17) 2_657 2_657 ?
Al29 Al1 Al4 120.33(16) 2_657 . ?
Al29 Al1 Al4 59.63(14) . . ?
Al13 Al1 Al4 60.60(12) . . ?
Al13 Al1 Al4 119.38(12) 2_657 . ?
Al3 Al1 Al4 118.28(17) . . ?
Al3 Al1 Al4 61.79(12) 2_657 . ?
Al4 Al1 Al4 179.9(3) 2_657 . ?
Al29 Al1 Al18 76.0(2) 2_657 . ?
Al29 Al1 Al18 60.8(2) . . ?
Al13 Al1 Al18 57.99(16) . . ?
Al13 Al1 Al18 96.6(2) 2_657 . ?
Al3 Al1 Al18 156.05(18) . . ?
Al3 Al1 Al18 111.71(14) 2_657 . ?
Al4 Al1 Al18 115.90(19) 2_657 . ?
Al4 Al1 Al18 64.02(13) . . ?
Al29 Al1 Al18 60.8(2) 2_657 2_657 ?
Al29 Al1 Al18 76.0(2) . 2_657 ?
Al13 Al1 Al18 96.6(2) . 2_657 ?
Al13 Al1 Al18 57.99(16) 2_657 2_657 ?
Al3 Al1 Al18 111.71(14) . 2_657 ?
Al3 Al1 Al18 156.05(18) 2_657 2_657 ?
Al4 Al1 Al18 64.02(13) 2_657 2_657 ?
Al4 Al1 Al18 115.90(19) . 2_657 ?
Al18 Al1 Al18 54.3(2) . 2_657 ?
Al29 Al1 Al2 155.4(2) 2_657 . ?
Al29 Al1 Al2 71.12(17) . . ?
Al13 Al1 Al2 107.27(14) . . ?
Al13 Al1 Al2 92.08(13) 2_657 . ?
Al3 Al1 Al2 59.97(14) . . ?
Al3 Al1 Al2 58.00(14) 2_657 . ?
Al4 Al1 Al2 121.72(18) 2_657 . ?
Al4 Al1 Al2 58.34(13) . . ?
Al18 Al1 Al2 117.73(13) . . ?
Al18 Al1 Al2 143.73(16) 2_657 . ?
Al29 Al1 Al2 71.12(17) 2_657 2_657 ?
Al29 Al1 Al2 155.4(2) . 2_657 ?
Al13 Al1 Al2 92.08(13) . 2_657 ?
Al13 Al1 Al2 107.27(14) 2_657 2_657 ?
Al3 Al1 Al2 58.00(14) . 2_657 ?
Al3 Al1 Al2 59.97(14) 2_657 2_657 ?
Al4 Al1 Al2 58.34(13) 2_657 2_657 ?
Al4 Al1 Al2 121.72(18) . 2_657 ?
Al18 Al1 Al2 143.73(16) . 2_657 ?
Al18 Al1 Al2 117.73(13) 2_657 2_657 ?
Al2 Al1 Al2 88.8(2) . 2_657 ?
Al27 Al2 Al6 129.0(2) . . ?
Al27 Al2 Al3 154.9(2) . 2_657 ?
Al6 Al2 Al3 62.75(14) . 2_657 ?
Al27 Al2 Al10 73.31(19) . . ?
Al6 Al2 Al10 61.19(15) . . ?
Al3 Al2 Al10 102.02(16) 2_657 . ?
Al27 Al2 Al20 65.37(17) . . ?
Al6 Al2 Al20 123.91(17) . . ?
Al3 Al2 Al20 130.7(2) 2_657 . ?
Al10 Al2 Al20 124.4(2) . . ?
Al27 Al2 Al4 121.0(2) . . ?
Al6 Al2 Al4 107.83(19) . . ?
Al3 Al2 Al4 61.87(14) 2_657 . ?
Al10 Al2 Al4 163.89(19) . . ?
Al20 Al2 Al4 71.10(17) . . ?
Al27 Al2 Al9 121.50(18) . . ?
Al6 Al2 Al9 69.97(15) . . ?
Al3 Al2 Al9 82.52(17) 2_657 . ?
Al10 Al2 Al9 120.48(17) . . ?
Al20 Al2 Al9 61.37(14) . . ?
Al4 Al2 Al9 60.52(14) . . ?
Al27 Al2 Al3 70.21(16) . . ?
Al6 Al2 Al3 102.49(16) . . ?
Al3 Al2 Al3 85.99(17) 2_657 . ?
Al10 Al2 Al3 59.69(14) . . ?
Al20 Al2 Al3 129.35(19) . . ?
Al4 Al2 Al3 115.66(16) . . ?
Al9 Al2 Al3 168.3(2) . . ?
Al27 Al2 Al1 100.65(17) . . ?
Al6 Al2 Al1 117.60(16) . . ?
Al3 Al2 Al1 57.98(12) 2_657 . ?
Al10 Al2 Al1 114.15(16) . . ?
Al20 Al2 Al1 108.78(17) . . ?
Al4 Al2 Al1 58.58(11) . . ?
Al9 Al2 Al1 117.54(17) . . ?
Al3 Al2 Al1 57.11(11) . . ?
Al7 Al3 Al1 176.99(18) . . ?
Al7 Al3 Al2 114.64(16) . 2_657 ?
Al1 Al3 Al2 64.03(13) . 2_657 ?
Al7 Al3 Al14 60.37(15) . . ?
Al1 Al3 Al14 119.55(17) . . ?
Al2 Al3 Al14 154.96(19) 2_657 . ?
Al7 Al3 Al13 119.5(2) . 2_657 ?
Al1 Al3 Al13 59.64(15) . 2_657 ?
Al2 Al3 Al13 111.19(18) 2_657 2_657 ?
Al14 Al3 Al13 61.22(16) . 2_657 ?
Al7 Al3 Al10 63.81(15) . . ?
Al1 Al3 Al10 118.92(18) . . ?
Al2 Al3 Al10 102.49(17) 2_657 . ?
Al14 Al3 Al10 96.67(17) . . ?
Al13 Al3 Al10 137.70(17) 2_657 . ?
Al7 Al3 Al2 120.07(17) . . ?
Al1 Al3 Al2 62.92(13) . . ?
Al2 Al3 Al2 93.86(17) 2_657 . ?
Al14 Al3 Al2 109.91(17) . . ?
Al13 Al3 Al2 93.19(15) 2_657 . ?
Al10 Al3 Al2 58.92(14) . . ?
Al7 Al3 Al4 117.18(18) . 2_657 ?
Al1 Al3 Al4 59.82(12) . 2_657 ?
Al2 Al3 Al4 59.64(14) 2_657 2_657 ?
Al14 Al3 Al4 99.34(18) . 2_657 ?
Al13 Al3 Al4 59.58(14) 2_657 2_657 ?
Al10 Al3 Al4 161.53(19) . 2_657 ?
Al2 Al3 Al4 122.70(19) . 2_657 ?
Al7 Al3 Al6 60.57(14) . 2_657 ?
Al1 Al3 Al6 119.18(18) . 2_657 ?
Al2 Al3 Al6 58.38(13) 2_657 2_657 ?
Al14 Al3 Al6 120.77(19) . 2_657 ?
Al13 Al3 Al6 161.47(18) 2_657 2_657 ?
Al10 Al3 Al6 60.49(13) . 2_657 ?
Al2 Al3 Al6 102.42(16) . 2_657 ?
Al4 Al3 Al6 102.97(15) 2_657 2_657 ?
Al8 Al4 Al29 128.61(18) . . ?
Al8 Al4 Al2 120.98(18) . . ?
Al29 Al4 Al2 72.7(2) . . ?
Al8 Al4 Al1 171.9(2) . . ?
Al29 Al4 Al1 58.54(13) . . ?
Al2 Al4 Al1 63.07(15) . . ?
Al8 Al4 Al13 113.2(2) . . ?
Al29 Al4 Al13 105.0(2) . . ?
Al2 Al4 Al13 109.75(16) . . ?
Al1 Al4 Al13 58.98(12) . . ?
Al8 Al4 Al17 58.38(15) . . ?
Al29 Al4 Al17 111.6(2) . . ?
Al2 Al4 Al17 175.2(2) . . ?
Al1 Al4 Al17 116.91(17) . . ?
Al13 Al4 Al17 67.46(16) . . ?
Al8 Al4 Al9 60.92(15) . . ?
Al29 Al4 Al9 113.9(2) . . ?
Al2 Al4 Al9 60.38(14) . . ?
Al1 Al4 Al9 121.8(2) . . ?
Al13 Al4 Al9 132.31(19) . . ?
Al17 Al4 Al9 118.22(19) . . ?
Al8 Al4 Al3 116.59(19) . 2_657 ?
Al29 Al4 Al3 112.1(2) . 2_657 ?
Al2 Al4 Al3 58.49(14) . 2_657 ?
Al1 Al4 Al3 58.40(14) . 2_657 ?
Al13 Al4 Al3 59.06(13) . 2_657 ?
Al17 Al4 Al3 117.1(2) . 2_657 ?
Al9 Al4 Al3 80.80(14) . 2_657 ?
Al8 Al4 Al19 65.42(15) . . ?
Al29 Al4 Al19 63.38(16) . . ?
Al2 Al4 Al19 108.4(2) . . ?
Al1 Al4 Al19 121.11(19) . . ?
Al13 Al4 Al19 133.8(2) . . ?
Al17 Al4 Al19 75.89(18) . . ?
Al9 Al4 Al19 89.40(15) . . ?
Al3 Al4 Al19 166.4(2) 2_657 . ?
Al15 Al5 Al7 141.0(2) . . ?
Al15 Al5 Al8 61.12(17) . 2_657 ?
Al7 Al5 Al8 156.7(2) . 2_657 ?
Al15 Al5 Al11 146.4(2) . . ?
Al7 Al5 Al11 58.65(14) . . ?
Al8 Al5 Al11 107.68(17) 2_657 . ?
Al15 Al5 Al9 120.83(19) . 2_657 ?
Al7 Al5 Al9 98.06(18) . 2_657 ?
Al8 Al5 Al9 59.87(15) 2_657 2_657 ?
Al11 Al5 Al9 55.91(14) . 2_657 ?
Al15 Al5 Al14 88.37(16) . . ?
Al7 Al5 Al14 60.20(13) . . ?
Al8 Al5 Al14 127.98(18) 2_657 . ?
Al11 Al5 Al14 118.77(17) . . ?
Al9 Al5 Al14 132.7(2) 2_657 . ?
Al11 Al6 Al12 137.18(19) 2_657 . ?
Al11 Al6 Al2 108.34(18) 2_657 . ?
Al12 Al6 Al2 114.08(18) . . ?
Al11 Al6 Al10 152.01(19) 2_657 . ?
Al12 Al6 Al10 58.13(13) . . ?
Al2 Al6 Al10 59.93(15) . . ?
Al11 Al6 Al7 58.08(14) 2_657 2_657 ?
Al12 Al6 Al7 108.23(15) . 2_657 ?
Al2 Al6 Al7 112.44(17) . 2_657 ?
Al10 Al6 Al7 148.48(18) . 2_657 ?
Al11 Al6 Al10 119.46(18) 2_657 2_657 ?
Al12 Al6 Al10 57.58(12) . 2_657 ?
Al2 Al6 Al10 101.42(16) . 2_657 ?
Al10 Al6 Al10 88.45(16) . 2_657 ?
Al7 Al6 Al10 62.08(14) 2_657 2_657 ?
Al11 Al6 Al3 94.94(17) 2_657 2_657 ?
Al12 Al6 Al3 111.42(16) . 2_657 ?
Al2 Al6 Al3 58.87(14) . 2_657 ?
Al10 Al6 Al3 98.56(17) . 2_657 ?
Al7 Al6 Al3 57.70(14) 2_657 2_657 ?
Al10 Al6 Al3 58.56(13) 2_657 2_657 ?
Al5 Al7 Al11 63.03(14) . . ?
Al5 Al7 Al21 127.43(19) . . ?
Al11 Al7 Al21 169.4(2) . . ?
Al5 Al7 Al3 69.28(15) . . ?
Al11 Al7 Al3 97.31(17) . . ?
Al21 Al7 Al3 86.10(19) . . ?
Al5 Al7 Al14 63.89(14) . . ?
Al11 Al7 Al14 126.81(18) . . ?
Al21 Al7 Al14 63.55(15) . . ?
Al3 Al7 Al14 60.48(15) . . ?
Al5 Al7 Al6 92.08(17) . 2_657 ?
Al11 Al7 Al6 57.50(14) . 2_657 ?
Al21 Al7 Al6 116.5(2) . 2_657 ?
Al3 Al7 Al6 61.73(14) . 2_657 ?
Al14 Al7 Al6 122.04(19) . 2_657 ?
Al5 Al7 Al10 127.80(19) . . ?
Al11 Al7 Al10 116.13(18) . . ?
Al21 Al7 Al10 57.26(15) . . ?
Al3 Al7 Al10 58.87(14) . . ?
Al14 Al7 Al10 93.70(16) . . ?
Al6 Al7 Al10 59.29(14) 2_657 . ?
Al16 Al8 Al17 132.7(2) . . ?
Al16 Al8 Al4 92.0(2) . . ?
Al17 Al8 Al4 63.10(16) . . ?
Al16 Al8 Al15 164.3(2) . 2_657 ?
Al17 Al8 Al15 62.35(18) . 2_657 ?
Al4 Al8 Al15 100.43(18) . 2_657 ?
Al16 Al8 Al5 119.5(2) . 2_657 ?
Al17 Al8 Al5 91.08(17) . 2_657 ?
Al4 Al8 Al5 71.08(15) . 2_657 ?
Al15 Al8 Al5 57.21(15) 2_657 2_657 ?
Al16 Al8 Al9 59.81(16) . . ?
Al17 Al8 Al9 124.02(19) . . ?
Al4 Al8 Al9 62.13(15) . . ?
Al15 Al8 Al9 118.15(18) 2_657 . ?
Al5 Al8 Al9 61.09(14) 2_657 . ?
Al16 Al8 Al19 57.24(16) . . ?
Al17 Al8 Al19 75.53(19) . . ?
Al4 Al8 Al19 60.30(15) . . ?
Al15 Al8 Al19 137.8(2) 2_657 . ?
Al5 Al8 Al19 130.54(19) 2_657 . ?
Al9 Al8 Al19 87.34(19) . . ?
Al11 Al9 Al16 137.7(2) 2_657 . ?
Al11 Al9 Al8 111.3(2) 2_657 . ?
Al16 Al9 Al8 57.65(16) . . ?
Al11 Al9 Al2 106.33(17) 2_657 . ?
Al16 Al9 Al2 115.12(19) . . ?
Al8 Al9 Al2 115.76(17) . . ?
Al11 Al9 Al4 122.31(17) 2_657 . ?
Al16 Al9 Al4 87.63(16) . . ?
Al8 Al9 Al4 56.95(14) . . ?
Al2 Al9 Al4 59.10(14) . . ?
Al11 Al9 Al5 61.04(14) 2_657 2_657 ?
Al16 Al9 Al5 115.4(2) . 2_657 ?
Al8 Al9 Al5 59.04(15) . 2_657 ?
Al2 Al9 Al5 101.96(16) . 2_657 ?
Al4 Al9 Al5 68.17(15) . 2_657 ?
Al11 Al9 Al20 155.1(2) 2_657 . ?
Al16 Al9 Al20 58.01(15) . . ?
Al8 Al9 Al20 93.47(19) . . ?
Al2 Al9 Al20 58.43(14) . . ?
Al4 Al9 Al20 69.32(16) . . ?
Al5 Al9 Al20 137.23(19) 2_657 . ?
Al12 Al10 Al21 143.2(2) . . ?
Al12 Al10 Al2 113.37(19) . . ?
Al21 Al10 Al2 103.36(19) . . ?
Al12 Al10 Al3 113.85(17) . . ?
Al21 Al10 Al3 84.70(18) . . ?
Al2 Al10 Al3 61.38(14) . . ?
Al12 Al10 Al6 58.42(12) . . ?
Al21 Al10 Al6 151.9(2) . . ?
Al2 Al10 Al6 58.88(15) . . ?
Al3 Al10 Al6 102.05(18) . . ?
Al12 Al10 Al6 57.87(12) . 2_657 ?
Al21 Al10 Al6 115.10(19) . 2_657 ?
Al2 Al10 Al6 104.51(16) . 2_657 ?
Al3 Al10 Al6 60.94(13) . 2_657 ?
Al6 Al10 Al6 91.52(16) . 2_657 ?
Al12 Al10 Al7 105.66(15) . . ?
Al21 Al10 Al7 56.47(14) . . ?
Al2 Al10 Al7 116.23(17) . . ?
Al3 Al10 Al7 57.31(14) . . ?
Al6 Al10 Al7 148.79(18) . . ?
Al6 Al10 Al7 58.64(13) 2_657 . ?
N2 Al11 Al9 129.8(4) . 2_657 ?
N2 Al11 Al6 131.5(4) . 2_657 ?
Al9 Al11 Al6 74.46(16) 2_657 2_657 ?
N2 Al11 Al7 126.3(4) . . ?
Al9 Al11 Al7 103.02(16) 2_657 . ?
Al6 Al11 Al7 64.42(15) 2_657 . ?
N2 Al11 Al5 134.1(4) . . ?
Al9 Al11 Al5 63.05(15) 2_657 . ?
Al6 Al11 Al5 93.40(16) 2_657 . ?
Al7 Al11 Al5 58.32(13) . . ?
N1 Al12 Al10 132.23(12) . . ?
N1 Al12 Al10 132.23(12) . 2_657 ?
Al10 Al12 Al10 95.5(2) . 2_657 ?
N1 Al12 Al6 130.70(12) . 2_657 ?
Al10 Al12 Al6 64.55(15) . 2_657 ?
Al10 Al12 Al6 63.45(16) 2_657 2_657 ?
N1 Al12 Al6 130.70(12) . . ?
Al10 Al12 Al6 63.45(16) . . ?
Al10 Al12 Al6 64.55(15) 2_657 . ?
Al6 Al12 Al6 98.6(2) 2_657 . ?
Al24 Al13 Al18 114.9(2) . . ?
Al24 Al13 Al1 163.83(18) . . ?
Al18 Al13 Al1 64.00(19) . . ?
Al24 Al13 Al29 137.5(2) . 2_657 ?
Al18 Al13 Al29 77.8(2) . 2_657 ?
Al1 Al13 Al29 58.63(15) . 2_657 ?
Al24 Al13 Al3 111.0(2) . 2_657 ?
Al18 Al13 Al3 116.0(2) . 2_657 ?
Al1 Al13 Al3 59.63(16) . 2_657 ?
Al29 Al13 Al3 96.4(2) 2_657 2_657 ?
Al24 Al13 Al4 103.83(18) . . ?
Al18 Al13 Al4 66.13(17) . . ?
Al1 Al13 Al4 60.42(13) . . ?
Al29 Al13 Al4 117.9(2) 2_657 . ?
Al3 Al13 Al4 61.36(13) 2_657 . ?
Al24 Al13 Al14 58.18(17) . 2_657 ?
Al18 Al13 Al14 162.96(19) . 2_657 ?
Al1 Al13 Al14 117.73(19) . 2_657 ?
Al29 Al13 Al14 118.2(2) 2_657 2_657 ?
Al3 Al13 Al14 59.36(15) 2_657 2_657 ?
Al4 Al13 Al14 99.28(16) . 2_657 ?
Al24 Al13 Al31 77.85(19) . . ?
Al18 Al13 Al31 123.6(2) . . ?
Al1 Al13 Al31 116.81(17) . . ?
Al29 Al13 Al31 62.92(19) 2_657 . ?
Al3 Al13 Al31 107.51(18) 2_657 . ?
Al4 Al13 Al31 168.7(2) . . ?
Al14 Al13 Al31 71.92(19) 2_657 . ?
Al24 Al13 Al22 63.34(19) . . ?
Al18 Al13 Al22 59.2(2) . . ?
Al1 Al13 Al22 121.7(2) . . ?
Al29 Al13 Al22 96.6(2) 2_657 . ?
Al3 Al13 Al22 164.58(18) 2_657 . ?
Al4 Al13 Al22 104.96(18) . . ?
Al14 Al13 Al22 120.3(2) 2_657 . ?
Al31 Al13 Al22 85.83(18) . . ?
Al24 Al14 Al7 139.30(19) 2_657 . ?
Al24 Al14 Al3 111.0(2) 2_657 . ?
Al7 Al14 Al3 59.15(14) . . ?
Al24 Al14 Al13 58.09(18) 2_657 2_657 ?
Al7 Al14 Al13 116.6(2) . 2_657 ?
Al3 Al14 Al13 59.42(15) . 2_657 ?
Al24 Al14 Al21 163.3(2) 2_657 . ?
Al7 Al14 Al21 56.28(14) . . ?
Al3 Al14 Al21 81.61(17) . . ?
Al13 Al14 Al21 125.9(2) 2_657 . ?
Al24 Al14 Al5 83.62(16) 2_657 . ?
Al7 Al14 Al5 55.91(13) . . ?
Al3 Al14 Al5 65.66(15) . . ?
Al13 Al14 Al5 85.83(16) 2_657 . ?
Al21 Al14 Al5 112.18(17) . . ?
Al24 Al14 Al27 119.1(2) 2_657 . ?
Al7 Al14 Al27 94.76(17) . . ?
Al3 Al14 Al27 67.92(16) . . ?
Al13 Al14 Al27 75.86(19) 2_657 . ?
Al21 Al14 Al27 54.25(18) . . ?
Al5 Al14 Al27 133.2(2) . . ?
N3 Al15 Al5 129.1(4) . . ?
N3 Al15 Al24 126.8(4) . 2_657 ?
Al5 Al15 Al24 88.70(17) . 2_657 ?
N3 Al15 Al8 118.3(4) . 2_657 ?
Al5 Al15 Al8 61.67(16) . 2_657 ?
Al24 Al15 Al8 112.3(2) 2_657 2_657 ?
N3 Al15 Al17 134.7(4) . 2_657 ?
Al5 Al15 Al17 90.8(2) . 2_657 ?
Al24 Al15 Al17 64.57(19) 2_657 2_657 ?
Al8 Al15 Al17 57.42(17) 2_657 2_657 ?
N6 Al16 Al8 125.8(4) . . ?
N6 Al16 Al20 133.1(5) . . ?
Al8 Al16 Al20 100.08(18) . . ?
N6 Al16 Al9 126.5(5) . . ?
Al8 Al16 Al9 62.53(15) . . ?
Al20 Al16 Al9 63.46(15) . . ?
N6 Al16 Al19 138.9(5) . . ?
Al8 Al16 Al19 67.69(18) . . ?
Al20 Al16 Al19 63.07(18) . . ?
Al9 Al16 Al19 94.58(16) . . ?
Al33 Al17 Al8 136.3(2) . . ?
Al33 Al17 Al22 60.77(16) . . ?
Al8 Al17 Al22 162.8(2) . . ?
Al33 Al17 Al4 140.1(3) . . ?
Al8 Al17 Al4 58.53(15) . . ?
Al22 Al17 Al4 108.27(19) . . ?
Al33 Al17 Al15 123.6(3) . 2_657 ?
Al8 Al17 Al15 60.23(16) . 2_657 ?
Al22 Al17 Al15 114.7(3) . 2_657 ?
Al4 Al17 Al15 96.15(17) . 2_657 ?
Al33 Al17 Al24 107.3(2) . . ?
Al8 Al17 Al24 106.7(2) . . ?
Al22 Al17 Al24 62.0(2) . . ?
Al4 Al17 Al24 97.70(17) . . ?
Al15 Al17 Al24 55.18(17) 2_657 . ?
Al33 Al17 Al23 56.4(2) . . ?
Al8 Al17 Al23 102.6(2) . . ?
Al22 Al17 Al23 86.3(2) . . ?
Al4 Al17 Al23 86.1(2) . . ?
Al15 Al17 Al23 156.7(2) 2_657 . ?
Al24 Al17 Al23 147.7(2) . . ?
Al18 Al18 Al13 103.0(2) 2_657 . ?
Al18 Al18 Al26 104.32(14) 2_657 . ?
Al13 Al18 Al26 122.5(3) . . ?
Al18 Al18 Al23 130.9(3) 2_657 . ?
Al13 Al18 Al23 125.2(2) . . ?
Al26 Al18 Al23 59.62(18) . . ?
Al18 Al18 Al22 122.8(3) 2_657 . ?
Al13 Al18 Al22 63.2(2) . . ?
Al26 Al18 Al22 59.4(2) . . ?
Al23 Al18 Al22 90.3(2) . . ?
Al18 Al18 Al38 70.7(2) 2_657 . ?
Al13 Al18 Al38 173.3(2) . . ?
Al26 Al18 Al38 58.7(2) . . ?
Al23 Al18 Al38 61.48(18) . . ?
Al22 Al18 Al38 118.0(2) . . ?
Al18 Al18 Al29 77.9(3) 2_657 . ?
Al13 Al18 Al29 103.2(2) . . ?
Al26 Al18 Al29 131.6(3) . . ?
Al23 Al18 Al29 82.2(2) . . ?
Al22 Al18 Al29 156.2(2) . . ?
Al38 Al18 Al29 78.0(3) . . ?
Al18 Al18 Al1 62.87(10) 2_657 . ?
Al13 Al18 Al1 58.01(13) . . ?
Al26 Al18 Al1 165.2(2) . . ?
Al23 Al18 Al1 133.9(2) . . ?
Al22 Al18 Al1 119.8(2) . . ?
Al38 Al18 Al1 118.9(3) . . ?
Al29 Al18 Al1 55.91(14) . . ?
Al23 Al19 Al16 153.2(3) . . ?
Al23 Al19 Al34 99.3(2) . . ?
Al16 Al19 Al34 106.7(2) . . ?
Al23 Al19 Al20 144.7(2) . . ?
Al16 Al19 Al20 58.08(16) . . ?
Al34 Al19 Al20 62.92(19) . . ?
Al23 Al19 Al4 91.48(19) . . ?
Al16 Al19 Al4 86.68(16) . . ?
Al34 Al19 Al4 109.0(2) . . ?
Al20 Al19 Al4 68.92(16) . . ?
Al23 Al19 Al29 82.4(2) . . ?
Al16 Al19 Al29 117.8(2) . . ?
Al34 Al19 Al29 56.42(17) . . ?
Al20 Al19 Al29 62.25(19) . . ?
Al4 Al19 Al29 56.10(15) . . ?
Al23 Al19 Al8 102.9(2) . . ?
Al16 Al19 Al8 55.07(15) . . ?
Al34 Al19 Al8 152.3(2) . . ?
Al20 Al19 Al8 89.43(17) . . ?
Al4 Al19 Al8 54.28(14) . . ?
Al29 Al19 Al8 110.24(18) . . ?
Al25 Al20 Al16 128.41(19) . . ?
Al25 Al20 Al2 113.2(2) . . ?
Al16 Al20 Al2 117.4(2) . . ?
Al25 Al20 Al19 112.4(2) . . ?
Al16 Al20 Al19 58.84(17) . . ?
Al2 Al20 Al19 109.5(2) . . ?
Al25 Al20 Al9 157.8(3) . . ?
Al16 Al20 Al9 58.53(15) . . ?
Al2 Al20 Al9 60.20(14) . . ?
Al19 Al20 Al9 89.3(2) . . ?
Al25 Al20 Al34 56.4(2) . . ?
Al16 Al20 Al34 102.8(2) . . ?
Al2 Al20 Al34 120.99(18) . . ?
Al19 Al20 Al34 57.15(19) . . ?
Al9 Al20 Al34 145.8(3) . . ?
Al25 Al20 Al27 57.64(16) . . ?
Al16 Al20 Al27 167.6(2) . . ?
Al2 Al20 Al27 55.60(15) . . ?
Al19 Al20 Al27 131.6(2) . . ?
Al9 Al20 Al27 111.56(18) . . ?
Al34 Al20 Al27 89.53(19) . . ?
Al25 Al20 Al29 89.7(2) . . ?
Al16 Al20 Al29 116.9(3) . . ?
Al2 Al20 Al29 69.08(15) . . ?
Al19 Al20 Al29 60.54(18) . . ?
Al9 Al20 Al29 105.7(2) . . ?
Al34 Al20 Al29 54.31(16) . . ?
Al27 Al20 Al29 71.7(2) . . ?
N4 Al21 Al27 131.0(4) . . ?
N4 Al21 Al7 124.2(5) . . ?
Al27 Al21 Al7 104.1(2) . . ?
N4 Al21 Al10 128.2(4) . . ?
Al27 Al21 Al10 75.3(2) . . ?
Al7 Al21 Al10 66.27(16) . . ?
N4 Al21 Al14 133.7(4) . . ?
Al27 Al21 Al14 63.30(17) . . ?
Al7 Al21 Al14 60.17(14) . . ?
Al10 Al21 Al14 97.0(2) . . ?
Al35 Al22 Al33 134.4(3) . . ?
Al35 Al22 Al26 148.4(2) . . ?
Al33 Al22 Al26 57.16(19) . . ?
Al35 Al22 Al37 60.3(2) . 2_657 ?
Al33 Al22 Al37 153.9(3) . 2_657 ?
Al26 Al22 Al37 99.0(3) . 2_657 ?
Al35 Al22 Al17 118.0(3) . . ?
Al33 Al22 Al17 57.28(16) . . ?
Al26 Al22 Al17 93.1(2) . . ?
Al37 Al22 Al17 142.5(2) 2_657 . ?
Al35 Al22 Al18 135.5(2) . . ?
Al33 Al22 Al18 87.5(2) . . ?
Al26 Al22 Al18 59.8(2) . . ?
Al37 Al22 Al18 88.7(2) 2_657 . ?
Al17 Al22 Al18 67.12(19) . . ?
Al35 Al22 Al13 83.0(2) . . ?
Al33 Al22 Al13 121.8(2) . . ?
Al26 Al22 Al13 117.3(3) . . ?
Al37 Al22 Al13 76.72(17) 2_657 . ?
Al17 Al22 Al13 66.20(15) . . ?
Al18 Al22 Al13 57.59(17) . . ?
Al35 Al22 Al24 56.9(2) . . ?
Al33 Al22 Al24 104.2(2) . . ?
Al26 Al22 Al24 154.5(2) . . ?
Al37 Al22 Al24 101.7(2) 2_657 . ?
Al17 Al22 Al24 61.40(17) . . ?
Al18 Al22 Al24 105.80(19) . . ?
Al13 Al22 Al24 54.58(16) . . ?
Al19 Al23 Al36 75.8(3) . . ?
Al19 Al23 Al33 124.3(2) . . ?
Al36 Al23 Al33 152.8(3) . . ?
Al19 Al23 Al26 151.1(2) . . ?
Al36 Al23 Al26 114.9(3) . . ?
Al33 Al23 Al26 57.7(2) . . ?
Al19 Al23 Al18 91.33(19) . . ?
Al36 Al23 Al18 110.5(2) . . ?
Al33 Al23 Al18 88.8(2) . . ?
Al26 Al23 Al18 59.85(18) . . ?
Al19 Al23 Al38 111.7(3) . . ?
Al36 Al23 Al38 63.2(2) . . ?
Al33 Al23 Al38 115.9(3) . . ?
Al26 Al23 Al38 58.2(2) . . ?
Al18 Al23 Al38 59.69(17) . . ?
Al19 Al23 Al17 75.41(18) . . ?
Al36 Al23 Al17 150.5(3) . . ?
Al33 Al23 Al17 55.07(18) . . ?
Al26 Al23 Al17 88.2(2) . . ?
Al18 Al23 Al17 64.13(18) . . ?
Al38 Al23 Al17 123.4(2) . . ?
Al15 Al24 Al13 107.6(2) 2_657 . ?
Al15 Al24 Al14 92.21(19) 2_657 2_657 ?
Al13 Al24 Al14 63.73(17) . 2_657 ?
Al15 Al24 Al35 157.1(2) 2_657 . ?
Al13 Al24 Al35 87.8(2) . . ?
Al14 Al24 Al35 110.0(2) 2_657 . ?
Al15 Al24 Al17 60.26(17) 2_657 . ?
Al13 Al24 Al17 67.20(19) . . ?
Al14 Al24 Al17 110.7(2) 2_657 . ?
Al35 Al24 Al17 113.8(3) . . ?
Al15 Al24 Al22 114.4(2) 2_657 . ?
Al13 Al24 Al22 62.09(18) . . ?
Al14 Al24 Al22 124.5(2) 2_657 . ?
Al35 Al24 Al22 57.4(2) . . ?
Al17 Al24 Al22 56.64(17) . . ?
N5 Al25 Al34 123.0(6) . . ?
N5 Al25 Al20 140.8(4) . . ?
Al34 Al25 Al20 66.8(2) . . ?
N5 Al25 Al27 134.1(6) . . ?
Al34 Al25 Al27 100.7(2) . . ?
Al20 Al25 Al27 66.25(17) . . ?
N5 Al25 Al31 125.2(4) . 2_657 ?
Al34 Al25 Al31 64.2(2) . 2_657 ?
Al20 Al25 Al31 93.8(2) . 2_657 ?
Al27 Al25 Al31 59.67(16) . 2_657 ?
Al28 Al26 Al33 156.0(3) . . ?
Al28 Al26 Al38 64.5(2) . . ?
Al33 Al26 Al38 122.6(3) . . ?
Al28 Al26 Al22 137.9(2) . . ?
Al33 Al26 Al22 61.2(2) . . ?
Al38 Al26 Al22 122.1(2) . . ?
Al28 Al26 Al23 121.7(3) . . ?
Al33 Al26 Al23 59.8(2) . . ?
Al38 Al26 Al23 62.8(2) . . ?
Al22 Al26 Al23 91.7(2) . . ?
Al28 Al26 Al18 111.4(3) . . ?
Al33 Al26 Al18 90.4(2) . . ?
Al38 Al26 Al18 61.5(2) . . ?
Al22 Al26 Al18 60.8(2) . . ?
Al23 Al26 Al18 60.53(18) . . ?
Al28 Al26 Al38 62.84(19) . 2_657 ?
Al33 Al26 Al38 138.3(3) . 2_657 ?
Al38 Al26 Al38 79.4(3) . 2_657 ?
Al22 Al26 Al38 77.1(2) . 2_657 ?
Al23 Al26 Al38 126.4(2) . 2_657 ?
Al18 Al26 Al38 68.61(17) . 2_657 ?
Al21 Al27 Al2 108.0(2) . . ?
Al21 Al27 Al31 125.2(3) . 2_657 ?
Al2 Al27 Al31 117.4(3) . 2_657 ?
Al21 Al27 Al25 124.1(3) . . ?
Al2 Al27 Al25 115.1(2) . . ?
Al31 Al27 Al25 60.39(16) 2_657 . ?
Al21 Al27 Al14 62.45(17) . . ?
Al2 Al27 Al14 111.71(19) . . ?
Al31 Al27 Al14 73.05(17) 2_657 . ?
Al25 Al27 Al14 124.7(2) . . ?
Al21 Al27 Al20 143.4(2) . . ?
Al2 Al27 Al20 59.03(16) . . ?
Al31 Al27 Al20 88.3(2) 2_657 . ?
Al25 Al27 Al20 56.11(17) . . ?
Al14 Al27 Al20 152.6(3) . . ?
N9 Al28 Al26 127.10(17) . 2_657 ?
N9 Al28 Al26 127.10(17) . . ?
Al26 Al28 Al26 105.8(3) 2_657 . ?
N9 Al28 Al38 140.96(14) . 2_657 ?
Al26 Al28 Al38 60.7(2) 2_657 2_657 ?
Al26 Al28 Al38 63.4(2) . 2_657 ?
N9 Al28 Al38 140.96(14) . . ?
Al26 Al28 Al38 63.4(2) 2_657 . ?
Al26 Al28 Al38 60.7(2) . . ?
Al38 Al28 Al38 78.1(3) 2_657 . ?
Al1 Al29 Al34 169.1(3) . . ?
Al1 Al29 Al4 61.82(14) . . ?
Al34 Al29 Al4 114.9(2) . . ?
Al1 Al29 Al13 60.39(13) . 2_657 ?
Al34 Al29 Al13 119.4(3) . 2_657 ?
Al4 Al29 Al13 120.9(2) . 2_657 ?
Al1 Al29 Al18 63.32(19) . . ?
Al34 Al29 Al18 126.0(3) . . ?
Al4 Al29 Al18 65.7(2) . . ?
Al13 Al29 Al18 97.8(2) 2_657 . ?
Al1 Al29 Al37 127.7(2) . . ?
Al34 Al29 Al37 60.11(17) . . ?
Al4 Al29 Al37 154.6(3) . . ?
Al13 Al29 Al37 77.42(19) 2_657 . ?
Al18 Al29 Al37 96.3(3) . . ?
Al1 Al29 Al31 115.5(2) . 2_657 ?
Al34 Al29 Al31 60.8(2) . 2_657 ?
Al4 Al29 Al31 147.2(3) . 2_657 ?
Al13 Al29 Al31 59.76(18) 2_657 2_657 ?
Al18 Al29 Al31 145.5(2) . 2_657 ?
Al37 Al29 Al31 55.6(2) . 2_657 ?
Al1 Al29 Al19 121.5(2) . . ?
Al34 Al29 Al19 58.33(18) . . ?
Al4 Al29 Al19 60.52(16) . . ?
Al13 Al29 Al19 177.3(3) 2_657 . ?
Al18 Al29 Al19 84.9(2) . . ?
Al37 Al29 Al19 102.0(2) . . ?
Al31 Al29 Al19 117.7(2) 2_657 . ?
Al1 Al29 Al20 108.5(2) . . ?
Al34 Al29 Al20 61.56(18) . . ?
Al4 Al29 Al20 68.52(17) . . ?
Al13 Al29 Al20 120.7(3) 2_657 . ?
Al18 Al29 Al20 130.9(2) . . ?
Al37 Al29 Al20 119.6(2) . . ?
Al31 Al29 Al20 83.3(2) 2_657 . ?
Al19 Al29 Al20 57.21(16) . . ?
Al35 Al31 Al37 61.9(2) . 2_657 ?
Al35 Al31 Al27 150.3(3) . 2_657 ?
Al37 Al31 Al27 137.0(3) 2_657 2_657 ?
Al35 Al31 Al25 141.3(2) . 2_657 ?
Al37 Al31 Al25 116.1(2) 2_657 2_657 ?
Al27 Al31 Al25 59.94(17) 2_657 2_657 ?
Al35 Al31 Al13 85.54(19) . . ?
Al37 Al31 Al13 78.8(2) 2_657 . ?
Al27 Al31 Al13 78.69(17) 2_657 . ?
Al25 Al31 Al13 133.1(2) 2_657 . ?
Al35 Al31 Al34 113.4(3) . 2_657 ?
Al37 Al31 Al34 60.2(2) 2_657 2_657 ?
Al27 Al31 Al34 95.8(2) 2_657 2_657 ?
Al25 Al31 Al34 56.7(2) 2_657 2_657 ?
Al13 Al31 Al34 111.9(3) . 2_657 ?
Al35 Al31 Al29 115.9(3) . 2_657 ?
Al37 Al31 Al29 60.9(2) 2_657 2_657 ?
Al27 Al31 Al29 76.0(2) 2_657 2_657 ?
Al25 Al31 Al29 90.0(2) 2_657 2_657 ?
Al13 Al31 Al29 57.31(17) . 2_657 ?
Al34 Al31 Al29 55.66(18) 2_657 2_657 ?
N10 Al33 Al26 129.5(5) . . ?
N10 Al33 Al17 131.4(5) . . ?
Al26 Al33 Al17 99.1(2) . . ?
N10 Al33 Al23 127.4(6) . . ?
Al26 Al33 Al23 62.5(2) . . ?
Al17 Al33 Al23 68.5(2) . . ?
N10 Al33 Al22 139.0(6) . . ?
Al26 Al33 Al22 61.6(2) . . ?
Al17 Al33 Al22 61.95(16) . . ?
Al23 Al33 Al22 93.4(2) . . ?
Al25 Al34 Al36 169.9(3) . . ?
Al25 Al34 Al29 96.6(2) . . ?
Al36 Al34 Al29 90.7(3) . . ?
Al25 Al34 Al19 115.6(2) . . ?
Al36 Al34 Al19 73.9(2) . . ?
Al29 Al34 Al19 65.3(2) . . ?
Al25 Al34 Al37 115.6(3) . . ?
Al36 Al34 Al37 61.9(2) . . ?
Al29 Al34 Al37 62.77(19) . . ?
Al19 Al34 Al37 108.8(3) . . ?
Al25 Al34 Al31 59.1(2) . 2_657 ?
Al36 Al34 Al31 119.0(2) . 2_657 ?
Al29 Al34 Al31 63.52(19) . 2_657 ?
Al19 Al34 Al31 126.9(2) . 2_657 ?
Al37 Al34 Al31 57.1(2) . 2_657 ?
Al25 Al34 Al20 56.84(18) . . ?
Al36 Al34 Al20 133.1(3) . . ?
Al29 Al34 Al20 64.13(18) . . ?
Al19 Al34 Al20 59.94(17) . . ?
Al37 Al34 Al20 124.55(19) . . ?
Al31 Al34 Al20 85.77(19) 2_657 . ?
N7 Al35 Al31 132.8(5) . . ?
N7 Al35 Al24 127.6(5) . . ?
Al31 Al35 Al24 80.87(19) . . ?
N7 Al35 Al22 130.6(6) . . ?
Al31 Al35 Al22 93.6(2) . . ?
Al24 Al35 Al22 65.7(2) . . ?
N7 Al35 Al37 123.0(6) . 2_657 ?
Al31 Al35 Al37 59.9(2) . 2_657 ?
Al24 Al35 Al37 108.3(3) . 2_657 ?
Al22 Al35 Al37 60.6(2) . 2_657 ?
N8 Al36 Al23 126.8(8) . . ?
N8 Al36 Al34 119.3(9) . . ?
Al23 Al36 Al34 100.7(2) . . ?
N8 Al36 Al37 126.9(7) . . ?
Al23 Al36 Al37 102.3(2) . . ?
Al34 Al36 Al37 60.5(2) . . ?
N8 Al36 Al38 130.5(7) . . ?
Al23 Al36 Al38 61.7(2) . . ?
Al34 Al36 Al38 102.9(2) . . ?
Al37 Al36 Al38 54.1(2) . . ?
Al38 Al37 Al31 142.7(3) . 2_657 ?
Al38 Al37 Al35 138.1(2) . 2_657 ?
Al31 Al37 Al35 58.2(2) 2_657 2_657 ?
Al38 Al37 Al22 81.2(2) . 2_657 ?
Al31 Al37 Al22 91.6(2) 2_657 2_657 ?
Al35 Al37 Al22 59.1(2) 2_657 2_657 ?
Al38 Al37 Al34 108.7(3) . . ?
Al31 Al37 Al34 62.7(2) 2_657 . ?
Al35 Al37 Al34 112.4(3) 2_657 . ?
Al22 Al37 Al34 149.5(3) 2_657 . ?
Al38 Al37 Al36 64.5(3) . . ?
Al31 Al37 Al36 120.2(2) 2_657 . ?
Al35 Al37 Al36 149.4(3) 2_657 . ?
Al22 Al37 Al36 144.8(4) 2_657 . ?
Al34 Al37 Al36 57.6(2) . . ?
Al38 Al37 Al29 81.2(3) . . ?
Al31 Al37 Al29 63.5(2) 2_657 . ?
Al35 Al37 Al29 114.8(3) 2_657 . ?
Al22 Al37 Al29 97.9(2) 2_657 . ?
Al34 Al37 Al29 57.13(17) . . ?
Al36 Al37 Al29 85.1(2) . . ?
Al37 Al38 Al26 159.1(2) . . ?
Al37 Al38 Al18 103.1(2) . . ?
Al26 Al38 Al18 59.9(2) . . ?
Al37 Al38 Al28 145.8(3) . . ?
Al26 Al38 Al28 54.85(18) . . ?
Al18 Al38 Al28 102.7(3) . . ?
Al37 Al38 Al26 100.4(3) . 2_657 ?
Al26 Al38 Al26 94.3(3) . 2_657 ?
Al18 Al38 Al26 98.4(2) . 2_657 ?
Al28 Al38 Al26 53.72(17) . 2_657 ?
Al37 Al38 Al23 102.7(2) . . ?
Al26 Al38 Al23 59.1(2) . . ?
Al18 Al38 Al23 58.83(18) . . ?
Al28 Al38 Al23 109.7(3) . . ?
Al26 Al38 Al23 150.6(4) 2_657 . ?
Al37 Al38 Al36 61.3(2) . . ?
Al26 Al38 Al36 108.5(2) . . ?
Al18 Al38 Al36 103.3(2) . . ?
Al28 Al38 Al36 132.1(2) . . ?
Al26 Al38 Al36 154.2(4) 2_657 . ?
Al23 Al38 Al36 55.1(2) . . ?
N1 Si1 C1C 107.4(7) . . ?
N1 Si1 C1A 113.4(6) . . ?
C1C Si1 C1A 106.2(8) . . ?
N1 Si1 C1B 111.5(7) . . ?
C1C Si1 C1B 112.6(9) . . ?
C1A Si1 C1B 105.6(8) . . ?
N2 Si3 C3C 112.5(10) . . ?
N2 Si3 C3B 109.6(8) . . ?
C3C Si3 C3B 107.1(10) . . ?
N2 Si3 C3A 111.9(6) . . ?
C3C Si3 C3A 104.9(12) . . ?
C3B Si3 C3A 110.7(10) . . ?
N2 Si4 C4C 112.4(8) . . ?
N2 Si4 C4B 112.1(7) . . ?
C4C Si4 C4B 107.7(10) . . ?
N2 Si4 C4A 113.4(7) . . ?
C4C Si4 C4A 108.7(11) . . ?
C4B Si4 C4A 101.7(9) . . ?
N3 Si5 C5C 110.8(6) . . ?
N3 Si5 C5A 111.6(8) . . ?
C5C Si5 C5A 107.5(9) . . ?
N3 Si5 C5B 113.1(7) . . ?
C5C Si5 C5B 106.0(8) . . ?
C5A Si5 C5B 107.5(9) . . ?
N3 Si6 C6C 111.2(9) . . ?
N3 Si6 C6B 113.3(6) . . ?
C6C Si6 C6B 108.4(8) . . ?
N3 Si6 C6A 109.5(6) . . ?
C6C Si6 C6A 106.5(8) . . ?
C6B Si6 C6A 107.6(8) . . ?
N4 Si7 C7B 113.7(8) . . ?
N4 Si7 C7C 111.1(7) . . ?
C7B Si7 C7C 106.3(8) . . ?
N4 Si7 C7A 113.9(7) . . ?
C7B Si7 C7A 105.7(7) . . ?
C7C Si7 C7A 105.5(8) . . ?
N4 Si8 C8A 112.4(7) . . ?
N4 Si8 C8C 113.6(7) . . ?
C8A Si8 C8C 105.8(10) . . ?
N4 Si8 C8B 109.3(9) . . ?
C8A Si8 C8B 108.2(9) . . ?
C8C Si8 C8B 107.2(9) . . ?
N5 Si9 C9B 109.4(9) . . ?
N5 Si9 C9C 113.7(8) . . ?
C9B Si9 C9C 106.5(9) . . ?
N5 Si9 C9A 113.9(6) . . ?
C9B Si9 C9A 108.6(7) . . ?
C9C Si9 C9A 104.2(9) . . ?
N5 Si10 C10C 114.5(10) . . ?
N5 Si10 C10B 111.2(8) . . ?
C10C Si10 C10B 106.6(10) . . ?
N5 Si10 C10A 109.0(8) . . ?
C10C Si10 C10A 120.2(12) . . ?
C10B Si10 C10A 93.2(11) . . ?
N6 Si11 C11C 110.5(8) . . ?
N6 Si11 C11B 119.9(9) . . ?
C11C Si11 C11B 102.2(11) . . ?
N6 Si11 C11A 112.8(7) . . ?
C11C Si11 C11A 106.3(10) . . ?
C11B Si11 C11A 103.9(9) . . ?
N6 Si12 C12C 114.4(7) . . ?
N6 Si12 C12B 112.9(9) . . ?
C12C Si12 C12B 106.0(10) . . ?
N6 Si12 C12A 110.4(10) . . ?
C12C Si12 C12A 102.8(12) . . ?
C12B Si12 C12A 109.7(8) . . ?
N7 Si13 C13A 115.2(8) . . ?
N7 Si13 C13C 115.9(9) . . ?
C13A Si13 C13C 103.3(10) . . ?
N7 Si13 C13B 104.1(9) . . ?
C13A Si13 C13B 106.5(9) . . ?
C13C Si13 C13B 111.6(9) . . ?
N7 Si14 C14B 111.6(8) . . ?
N7 Si14 C14C 112.2(10) . . ?
C14B Si14 C14C 106.0(10) . . ?
N7 Si14 C14A 114.8(10) . . ?
C14B Si14 C14A 103.8(12) . . ?
C14C Si14 C14A 107.7(13) . . ?
N8 Si15 C15A 107.5(12) . . ?
N8 Si15 C15B 112.6(11) . . ?
C15A Si15 C15B 110.9(14) . . ?
N8 Si15 C15C 114.0(16) . . ?
C15A Si15 C15C 108.8(12) . . ?
C15B Si15 C15C 103(2) . . ?
C16C Si16 N8 116.3(14) . . ?
C16C Si16 C16A 123.4(15) . . ?
N8 Si16 C16A 116.8(12) . . ?
C16C Si16 C16B 75(2) . . ?
N8 Si16 C16B 108.1(9) . . ?
C16A Si16 C16B 105.8(11) . . ?
N9 Si17 C17B 118.2(11) . . ?
N9 Si17 C17A 112.7(12) . . ?
C17B Si17 C17A 109.6(14) . . ?
N9 Si17 C17C 106.2(9) . . ?
C17B Si17 C17C 110.2(12) . . ?
C17A Si17 C17C 98.1(16) . . ?
N9 Si17 Si17 31.0(6) . 2_657 ?
C17B Si17 Si17 110.1(11) . 2_657 ?
C17A Si17 Si17 137.3(12) . 2_657 ?
C17C Si17 Si17 82.6(9) . 2_657 ?
N10 Si19 C19C 112.2(8) . . ?
N10 Si19 C19B 112.6(7) . . ?
C19C Si19 C19B 104.9(10) . . ?
N10 Si19 C19A 114.1(9) . . ?
C19C Si19 C19A 108.0(8) . . ?
C19B Si19 C19A 104.2(9) . . ?
N10 Si20 C20A 112.4(8) . . ?
N10 Si20 C20B 114.7(10) . . ?
C20A Si20 C20B 102.3(9) . . ?
N10 Si20 C20C 114.8(9) . . ?
C20A Si20 C20C 100.6(11) . . ?
C20B Si20 C20C 110.5(11) . . ?
Si1 N1 Si1 120.3(9) 2_657 . ?
Si1 N1 Al12 119.8(4) 2_657 . ?
Si1 N1 Al12 119.8(4) . . ?
Si3 N2 Si4 122.7(6) . . ?
Si3 N2 Al11 120.0(7) . . ?
Si4 N2 Al11 116.3(6) . . ?
Si6 N3 Si5 122.8(7) . . ?
Si6 N3 Al15 117.1(6) . . ?
Si5 N3 Al15 119.9(8) . . ?
Si7 N4 Si8 124.5(8) . . ?
Si7 N4 Al21 119.0(6) . . ?
Si8 N4 Al21 116.3(8) . . ?
Si10 N5 Si9 120.2(7) . . ?
Si10 N5 Al25 121.6(8) . . ?
Si9 N5 Al25 118.0(6) . . ?
Si11 N6 Si12 121.4(6) . . ?
Si11 N6 Al16 119.7(7) . . ?
Si12 N6 Al16 117.9(8) . . ?
Si13 N7 Si14 119.5(9) . . ?
Si13 N7 Al35 117.6(8) . . ?
Si14 N7 Al35 122.9(11) . . ?
Si16 N8 Si15 119.2(8) . . ?
Si16 N8 Al36 123.9(11) . . ?
Si15 N8 Al36 116.2(10) . . ?
Si17 N9 Si17 118.0(12) . 2_657 ?
Si17 N9 Al28 121.0(6) . . ?
Si17 N9 Al28 121.0(6) 2_657 . ?
Si19 N10 Si20 117.9(7) . . ?
Si19 N10 Al33 123.6(10) . . ?
Si20 N10 Al33 118.4(8) . . ?
C110 C109 C114 120.0 . . ?
C110 C109 C115 124(4) . . ?
C114 C109 C115 116(4) . . ?
C111 C110 C109 120.0 . . ?
C110 C111 C112 120.0 . . ?
C113 C112 C111 120.0 . . ?
C112 C113 C114 120.0 . . ?
C113 C114 C109 120.0 . . ?
C117 C116 C121 120.0 . . ?
C117 C116 C122 104(3) . . ?
C121 C116 C122 136(3) . . ?
C116 C117 C118 120.0 . . ?
C117 C118 C119 120.0 . . ?
C120 C119 C118 120.0 . . ?
C119 C120 C121 120.0 . . ?
C120 C121 C116 120.0 . . ?
C124 C123 C128 120.0 . . ?
C124 C123 C129 115.7 . . ?
C128 C123 C129 109.4 . . ?
C125 C124 C123 120.0 . . ?
C124 C125 C126 120.0 . . ?
C127 C126 C125 120.0 . . ?
C128 C127 C126 120.0 . . ?
C127 C128 C123 120.0 . . ?
O1A Li1 O1C 107.901(10) . . ?
O1A Li1 O1B 110.431(6) . . ?
O1C Li1 O1B 109.99(2) . . ?
O1A Li1 O1D 108.767(3) . . ?
O1C Li1 O1D 108.597(17) . . ?
O1B Li1 O1D 111.077(15) . . ?
O2A Li2 O2A 104.430(16) . 2_756 ?
O2A Li2 O2B 116.75(2) . 2_756 ?
O2A Li2 O2B 108.80(2) 2_756 2_756 ?
O2A Li2 O2B 108.80(2) . . ?
O2A Li2 O2B 116.75(2) 2_756 . ?
O2B Li2 O2B 101.851(16) 2_756 . ?
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
Al1 Al29 2.680(5) 2_657 ?
Al1 Al29 2.680(5) . ?
Al1 Al13 2.729(5) . ?
Al1 Al13 2.729(5) 2_657 ?
Al1 Al3 2.729(6) . ?
Al1 Al3 2.729(6) 2_657 ?
Al1 Al4 2.769(4) 2_657 ?
Al1 Al4 2.769(4) . ?
Al1 Al18 2.892(6) . ?
Al1 Al18 2.892(6) 2_657 ?
Al1 Al2 2.893(5) . ?
Al1 Al2 2.893(5) 2_657 ?
Al2 Al27 2.644(7) . ?
Al2 Al6 2.715(5) . ?
Al2 Al3 2.729(6) 2_657 ?
Al2 Al10 2.745(6) . ?
Al2 Al20 2.748(5) . ?
Al2 Al4 2.762(6) . ?
Al2 Al9 2.799(6) . ?
Al2 Al3 2.813(5) . ?
Al3 Al7 2.720(6) . ?
Al3 Al2 2.729(6) 2_657 ?
Al3 Al14 2.757(6) . ?
Al3 Al13 2.759(5) 2_657 ?
Al3 Al10 2.767(5) . ?
Al3 Al4 2.823(5) 2_657 ?
Al3 Al6 2.835(5) 2_657 ?
Al4 Al8 2.657(6) . ?
Al4 Al29 2.711(7) . ?
Al4 Al13 2.774(5) . ?
Al4 Al17 2.779(6) . ?
Al4 Al9 2.803(5) . ?
Al4 Al3 2.823(5) 2_657 ?
Al4 Al19 2.843(5) . ?
Al5 Al15 2.624(6) . ?
Al5 Al7 2.628(5) . ?
Al5 Al8 2.747(5) 2_657 ?
Al5 Al11 2.753(5) . ?
Al5 Al9 2.804(6) 2_657 ?
Al5 Al14 2.850(5) . ?
Al6 Al11 2.621(6) 2_657 ?
Al6 Al12 2.647(5) . ?
Al6 Al10 2.779(6) . ?
Al6 Al7 2.803(6) 2_657 ?
Al6 Al10 2.822(5) 2_657 ?
Al6 Al3 2.835(5) 2_657 ?
Al7 Al11 2.638(5) . ?
Al7 Al21 2.641(5) . ?
Al7 Al14 2.754(5) . ?
Al7 Al6 2.803(6) 2_657 ?
Al7 Al10 2.900(6) . ?
Al8 Al16 2.638(6) . ?
Al8 Al17 2.653(6) . ?
Al8 Al15 2.733(7) 2_657 ?
Al8 Al5 2.747(5) 2_657 ?
Al8 Al9 2.771(6) . ?
Al8 Al19 2.977(7) . ?
Al9 Al11 2.605(5) 2_657 ?
Al9 Al16 2.699(5) . ?
Al9 Al5 2.804(6) 2_657 ?
Al9 Al20 2.831(6) . ?
Al10 Al12 2.638(5) . ?
Al10 Al21 2.665(6) . ?
Al10 Al6 2.822(5) 2_657 ?
Al11 N2 1.858(10) . ?
Al11 Al9 2.605(5) 2_657 ?
Al11 Al6 2.621(6) 2_657 ?
Al12 N1 1.838(15) . ?
Al12 Al10 2.638(5) 2_657 ?
Al12 Al6 2.647(5) 2_657 ?
Al13 Al24 2.659(7) . ?
Al13 Al18 2.728(7) . ?
Al13 Al29 2.745(6) 2_657 ?
Al13 Al3 2.759(5) 2_657 ?
Al13 Al14 2.809(7) 2_657 ?
Al13 Al31 2.818(6) . ?
Al13 Al22 2.884(6) . ?
Al14 Al24 2.662(6) 2_657 ?
Al14 Al13 2.809(7) 2_657 ?
Al14 Al21 2.843(6) . ?
Al14 Al27 2.865(6) . ?
Al15 N3 1.858(12) . ?
Al15 Al24 2.637(6) 2_657 ?
Al15 Al8 2.733(7) 2_657 ?
Al15 Al17 2.789(7) 2_657 ?
Al16 N6 1.838(10) . ?
Al16 Al20 2.684(6) . ?
Al16 Al19 2.706(6) . ?
Al17 Al33 2.631(6) . ?
Al17 Al22 2.760(6) . ?
Al17 Al15 2.789(7) 2_657 ?
Al17 Al24 2.901(8) . ?
Al17 Al23 2.986(8) . ?
Al18 Al18 2.637(9) 2_657 ?
Al18 Al26 2.750(7) . ?
Al18 Al23 2.768(6) . ?
Al18 Al22 2.777(9) . ?
Al18 Al38 2.793(8) . ?
Al18 Al29 2.824(10) . ?
Al19 Al23 2.650(7) . ?
Al19 Al34 2.736(8) . ?
Al19 Al20 2.819(8) . ?
Al19 Al29 2.920(6) . ?
Al20 Al25 2.642(7) . ?
Al20 Al34 2.900(6) . ?
Al20 Al27 2.913(7) . ?
Al20 Al29 2.968(7) . ?
Al21 N4 1.873(13) . ?
Al21 Al27 2.602(8) . ?
Al22 Al35 2.696(10) . ?
Al22 Al33 2.728(6) . ?
Al22 Al26 2.738(9) . ?
Al22 Al37 2.738(6) 2_657 ?
Al22 Al24 2.916(8) . ?
Al23 Al36 2.650(10) . ?
Al23 Al33 2.673(10) . ?
Al23 Al26 2.743(8) . ?
Al23 Al38 2.843(7) . ?
Al24 Al15 2.637(6) 2_657 ?
Al24 Al14 2.662(6) 2_657 ?
Al24 Al35 2.680(6) . ?
Al25 N5 1.814(12) . ?
Al25 Al34 2.629(9) . ?
Al25 Al27 2.688(6) . ?
Al25 Al31 2.700(6) 2_657 ?
Al26 Al28 2.548(7) . ?
Al26 Al33 2.615(8) . ?
Al26 Al38 2.717(11) . ?
Al26 Al38 2.827(7) 2_657 ?
Al27 Al31 2.681(7) 2_657 ?
Al28 N9 1.834(19) . ?
Al28 Al26 2.548(7) 2_657 ?
Al28 Al38 2.812(8) 2_657 ?
Al28 Al38 2.812(8) . ?
Al29 Al34 2.679(7) . ?
Al29 Al13 2.745(6) 2_657 ?
Al29 Al37 2.836(7) . ?
Al29 Al31 2.904(9) 2_657 ?
Al31 Al35 2.629(6) . ?
Al31 Al37 2.677(9) 2_657 ?
Al31 Al27 2.681(7) 2_657 ?
Al31 Al25 2.700(6) 2_657 ?
Al31 Al34 2.833(7) 2_657 ?
Al31 Al29 2.904(9) 2_657 ?
Al33 N10 1.762(12) . ?
Al34 Al36 2.680(10) . ?
Al34 Al37 2.765(7) . ?
Al34 Al31 2.833(7) 2_657 ?
Al35 N7 1.817(15) . ?
Al35 Al37 2.730(9) 2_657 ?
Al36 N8 1.825(14) . ?
Al36 Al37 2.802(8) . ?
Al36 Al38 2.883(8) . ?
Al37 Al38 2.588(10) . ?
Al37 Al31 2.677(9) 2_657 ?
Al37 Al35 2.730(9) 2_657 ?
Al37 Al22 2.738(6) 2_657 ?
Al38 Al26 2.827(7) 2_657 ?
Si1 N1 1.716(8) . ?
Si1 C1C 1.91(2) . ?
Si1 C1A 1.903(15) . ?
Si1 C1B 1.909(17) . ?
Si3 N2 1.692(11) . ?
Si3 C3C 1.82(2) . ?
Si3 C3B 1.842(19) . ?
Si3 C3A 1.88(2) . ?
Si4 N2 1.741(12) . ?
Si4 C4C 1.835(18) . ?
Si4 C4B 1.836(16) . ?
Si4 C4A 1.853(19) . ?
Si5 N3 1.736(11) . ?
Si5 C5C 1.881(17) . ?
Si5 C5A 1.908(18) . ?
Si5 C5B 1.953(17) . ?
Si6 N3 1.704(13) . ?
Si6 C6C 1.841(15) . ?
Si6 C6B 1.850(16) . ?
Si6 C6A 1.884(15) . ?
Si7 N4 1.706(14) . ?
Si7 C7B 1.810(15) . ?
Si7 C7C 1.818(16) . ?
Si7 C7A 1.896(13) . ?
Si8 N4 1.746(12) . ?
Si8 C8A 1.801(17) . ?
Si8 C8C 1.86(2) . ?
Si8 C8B 1.87(2) . ?
Si9 N5 1.755(13) . ?
Si9 C9B 1.863(19) . ?
Si9 C9C 1.900(19) . ?
Si9 C9A 1.937(14) . ?
Si10 N5 1.704(11) . ?
Si10 C10C 1.76(2) . ?
Si10 C10B 1.94(3) . ?
Si10 C10A 2.00(2) . ?
Si11 N6 1.669(14) . ?
Si11 C11C 1.800(18) . ?
Si11 C11B 1.860(16) . ?
Si11 C11A 1.870(19) . ?
Si12 N6 1.776(14) . ?
Si12 C12C 1.86(2) . ?
Si12 C12B 1.894(17) . ?
Si12 C12A 1.952(18) . ?
Si13 N7 1.742(17) . ?
Si13 C13A 1.87(2) . ?
Si13 C13C 1.90(2) . ?
Si13 C13B 1.989(18) . ?
Si14 N7 1.761(14) . ?
Si14 C14B 1.895(16) . ?
Si14 C14C 1.90(2) . ?
Si14 C14A 2.05(4) . ?
Si15 N8 1.75(2) . ?
Si15 C15A 1.861(13) . ?
Si15 C15B 1.862(14) . ?
Si15 C15C 1.871(13) . ?
Si16 C16C 1.33(2) . ?
Si16 N8 1.697(18) . ?
Si16 C16A 1.856(13) . ?
Si16 C16B 2.06(3) . ?
Si17 N9 1.654(11) . ?
Si17 C17B 1.85(2) . ?
Si17 C17A 2.06(4) . ?
Si17 C17C 2.06(3) . ?
Si17 Si17 2.835(18) 2_657 ?
Si19 N10 1.734(15) . ?
Si19 C19C 1.827(18) . ?
Si19 C19B 1.84(2) . ?
Si19 C19A 1.920(17) . ?
Si20 N10 1.738(16) . ?
Si20 C20A 1.901(18) . ?
Si20 C20B 1.917(18) . ?
Si20 C20C 1.94(2) . ?
N1 Si1 1.716(8) 2_657 ?
N9 Si17 1.654(11) 2_657 ?
C109 C110 1.3900 . ?
C109 C114 1.3900 . ?
C109 C115 1.50(5) . ?
C110 C111 1.3900 . ?
C111 C112 1.3900 . ?
C112 C113 1.3900 . ?
C113 C114 1.3900 . ?
C116 C117 1.3900 . ?
C116 C121 1.3900 . ?
C116 C122 1.48(3) . ?
C117 C118 1.3900 . ?
C118 C119 1.3900 . ?
C119 C120 1.3900 . ?
C120 C121 1.3900 . ?
C123 C124 1.3900 . ?
C123 C128 1.3900 . ?
C123 C129 1.4609 . ?
C124 C125 1.3900 . ?
C125 C126 1.3900 . ?
C126 C127 1.3900 . ?
C127 C128 1.3900 . ?
Li1 O1A 1.9923(4) . ?
Li1 O1C 2.0001(4) . ?
Li1 O1B 2.0023(5) . ?
Li1 O1D 2.0400(6) . ?
Li2 O2A 2.0009(3) . ?
Li2 O2A 2.0009(3) 2_756 ?
Li2 O2B 2.0585(3) 2_756 ?
Li2 O2B 2.0585(3) . ?
