#------------------------------------------------------------------------------
#$Date: 2021-06-05 20:52:20 +0300 (Sat, 05 Jun 2021) $
#$Revision: 265910 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/14/1561443.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_1561443
loop_
_publ_author_name
'Schütz, Max'
'Gemel, Christian'
'Muhr, Maximilian'
'Jandl, Christian'
'Kahlal, Samia'
'Saillard, Jean-Yves'
'Fischer, Roland A.'
_publ_section_title
;
 Exploring Cu/Al cluster growth and reactivity: from embryonic building
 blocks to intermetalloid, open-shell superatoms.
;
_journal_issue                   19
_journal_name_full               'Chemical science'
_journal_page_first              6588
_journal_page_last               6599
_journal_paper_doi               10.1039/d1sc00268f
_journal_volume                  12
_journal_year                    2021
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C60 H90 Al6 Cu7.33'
_chemical_formula_sum            'C60 H90 Al6 Cu7.33'
_chemical_formula_weight         1438.89
_space_group_IT_number           12
_space_group_name_Hall           '-I 2y'
_space_group_name_H-M_alt        'I 1 2/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_audit_update_record
;
2021-01-05 deposited with the CCDC.	2021-03-31 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.7410(16)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.9999(9)
_cell_length_b                   17.2545(13)
_cell_length_c                   16.5285(17)
_cell_measurement_reflns_used    9315
_cell_measurement_temperature    100
_cell_measurement_theta_max      26.0408
_cell_measurement_theta_min      2.3607
_cell_volume                     3673.7(5)
_computing_cell_refinement       'SAINT (Bruker, 2017)'
_computing_data_collection       'APEX III Control Software (Bruker, 2016)'
_computing_data_reduction        'SAINT (Bruker, 2017)'
_computing_molecular_graphics    'PLATON (Spek, 2011)'
_computing_publication_material  'PLATON (Spek, 2011), enCIFer (Allen, 2014)'
_computing_structure_refinement
'SHELXL2014 (Sheldrick, 2014), SHELXLE (Huebschle, 2011)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100
_diffrn_detector                 ' CMOS plate '
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       ' κ-geometry diffractometer '
_diffrn_measurement_device_type  ' Bruker Photon CMOS '
_diffrn_measurement_method       ' phi- and omega-rotation '
_diffrn_radiation_monochromator  'Helios optic'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'TXS rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0412
_diffrn_reflns_av_unetI/netI     0.0192
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            46509
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         2.36
_exptl_absorpt_coefficient_mu    2.182
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6659
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2, Bruker, 2016'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.301
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1481
_exptl_crystal_size_max          0.193
_exptl_crystal_size_mid          0.102
_exptl_crystal_size_min          0.048
_platon_squeeze_details
;
The unit cell contains 6 disordered molecules of toluene which were
treated as a diffuse contribution to the overall scattering without specific
atom positions by SQUEEZE/PLATON.
;
_refine_diff_density_max         0.617
_refine_diff_density_min         -0.579
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     249
_refine_ls_number_reflns         3607
_refine_ls_number_restraints     160
_refine_ls_restrained_S_all      1.121
_refine_ls_R_factor_all          0.0683
_refine_ls_R_factor_gt           0.0572
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'W=1/[Σ²(FO²)+(0.1153P)²+11.7659P] WHERE P=(FO²+2FC²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1882
_refine_ls_wR_factor_ref         0.1974
_reflns_number_gt                3002
_reflns_number_total             3607
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            d1sc00268f2.cif
_cod_data_source_block           compound_3
_cod_depositor_comments
'Adding full bibliography for 1561441--1561444.cif.'
_cod_original_sg_symbol_H-M      'I 2/m'
_cod_database_code               1561443
_platon_squeeze_void_probe_radius 1.20
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y,-z
3 -x,-y,-z
4 x,-y,z
5 1/2+x,1/2+y,1/2+z
6 1/2-x,1/2+y,1/2-z
7 1/2-x,1/2-y,1/2-z
8 1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu Uani 0.12025(12) 0.50000 -0.00539(8) 0.500 0.0312(5) d STP A .
Cu2 Cu Uani 0.07587(16) 0.60895(15) 0.06357(13) 0.332(3) 0.0320(7) d P A .
Cu3 Cu Uani -0.01568(10) 0.50000 0.09346(10) 0.500 0.0301(5) d STP A .
Cu4 Cu Uani -0.18036(14) 0.50000 0.00943(8) 0.500 0.0314(5) d STP . .
Cu5 Cu Uani -0.05267(10) 0.57834(9) -0.04355(8) 0.500 0.0271(4) d P . .
Cu6 Cu Uani 0.02535(10) 0.50000 -0.13903(11) 0.500 0.0318(5) d STP . .
Al1 Al Uani 0.11554(10) 0.62238(8) -0.08508(8) 1.000 0.0412(4) d . . .
Al2 Al Uani 0.17295(12) 0.50000 0.14263(9) 1.000 0.0341(5) d STP . .
C1 C Uani 0.2026(4) 0.7375(3) -0.0669(3) 1.000 0.0473(16) d D . .
C2 C Uani 0.1156(3) 0.7478(3) -0.1260(3) 1.000 0.0456(16) d D . .
C3 C Uani 0.1288(3) 0.7009(3) -0.1938(3) 1.000 0.0447(14) d D . .
C4 C Uani 0.2233(3) 0.6611(3) -0.1766(3) 1.000 0.0443(14) d D . .
C5 C Uani 0.2698(3) 0.6833(3) -0.0973(3) 1.000 0.0469(16) d D . .
C6 C Uani 0.2220(4) 0.7766(4) 0.0157(3) 1.000 0.0660(19) d D . .
C7 C Uani 0.0242(5) 0.8009(4) -0.1195(4) 1.000 0.071(2) d D . .
C8 C Uani 0.0575(4) 0.6970(4) -0.2731(3) 1.000 0.072(2) d D . .
C9 C Uani 0.2668(5) 0.6078(4) -0.2361(4) 1.000 0.070(2) d D . .
C10 C Uani 0.3707(4) 0.6551(5) -0.0555(4) 1.000 0.072(2) d D . .
C11 C Uani 0.3241(9) 0.4510(5) 0.2083(8) 0.500 0.0501(19) d DUP A -1
C12 C Uani 0.2496(8) 0.4394(5) 0.2609(6) 0.500 0.0493(19) d DUP A -1
C13 C Uani 0.2102(4) 0.5123(5) 0.2800(4) 0.500 0.0488(16) d DUP A -1
C14 C Uani 0.2631(8) 0.5695(5) 0.2420(6) 0.500 0.0513(19) d DUP A -1
C15 C Uani 0.3359(8) 0.5319(5) 0.1983(8) 0.500 0.0496(19) d DUP A -1
C16 C Uani 0.3886(9) 0.3892(7) 0.1738(8) 0.500 0.074(4) d DUP A -1
C17 C Uani 0.2170(10) 0.3615(6) 0.2912(8) 0.500 0.077(3) d DUP A -1
C18 C Uani 0.1259(6) 0.5254(6) 0.3322(5) 0.500 0.062(3) d DUP A -1
C19 C Uani 0.2417(9) 0.6553(5) 0.2484(8) 0.500 0.073(3) d DUP A -1
C20 C Uani 0.4117(8) 0.5708(7) 0.1526(7) 0.500 0.071(4) d DUP A -1
H6A H Uiso 0.29250 0.79800 0.02400 1.000 0.0990 c RU . .
H6B H Uiso 0.21450 0.73860 0.05860 1.000 0.0990 c RU . .
H6C H Uiso 0.17170 0.81850 0.01800 1.000 0.0990 c RU . .
H7A H Uiso 0.02010 0.84020 -0.16270 1.000 0.1060 c RU . .
H7B H Uiso 0.03340 0.82640 -0.06610 1.000 0.1060 c RU . .
H7C H Uiso -0.04000 0.77040 -0.12580 1.000 0.1060 c RU . .
H8A H Uiso 0.09040 0.72240 -0.31600 1.000 0.1080 c RU . .
H8B H Uiso -0.00780 0.72330 -0.26710 1.000 0.1080 c RU . .
H8C H Uiso 0.04340 0.64260 -0.28780 1.000 0.1080 c RU . .
H9A H Uiso 0.29340 0.63870 -0.27850 1.000 0.1040 c RU . .
H9B H Uiso 0.21200 0.57320 -0.26130 1.000 0.1040 c RU . .
H9C H Uiso 0.32340 0.57700 -0.20690 1.000 0.1040 c RU . .
H10A H Uiso 0.42640 0.67190 -0.08590 1.000 0.1080 c RU . .
H10B H Uiso 0.36970 0.59840 -0.05290 1.000 0.1080 c RU . .
H10C H Uiso 0.38270 0.67640 -0.00010 1.000 0.1080 c RU . .
H16A H Uiso 0.45500 0.38360 0.20920 0.500 0.1120 c RUP A -1
H16B H Uiso 0.40120 0.40420 0.11890 0.500 0.1120 c RUP A -1
H16C H Uiso 0.35110 0.33980 0.17120 0.500 0.1120 c RUP A -1
H17A H Uiso 0.27510 0.33840 0.32700 0.500 0.1160 c RUP A -1
H17B H Uiso 0.19680 0.32720 0.24450 0.500 0.1160 c RUP A -1
H17C H Uiso 0.15790 0.36850 0.32160 0.500 0.1160 c RUP A -1
H18A H Uiso 0.12310 0.48130 0.36920 0.500 0.0920 c RUP A -1
H18B H Uiso 0.05900 0.53050 0.29720 0.500 0.0920 c RUP A -1
H18C H Uiso 0.14040 0.57290 0.36410 0.500 0.0920 c RUP A -1
H19A H Uiso 0.29060 0.67780 0.29240 0.500 0.1080 c RUP A -1
H19B H Uiso 0.17060 0.66290 0.26030 0.500 0.1080 c RUP A -1
H19C H Uiso 0.25010 0.68070 0.19670 0.500 0.1080 c RUP A -1
H20A H Uiso 0.47370 0.58460 0.19030 0.500 0.1060 c RUP A -1
H20B H Uiso 0.38040 0.61790 0.12670 0.500 0.1060 c RUP A -1
H20C H Uiso 0.43100 0.53570 0.11060 0.500 0.1060 c RUP A -1
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'
Al Al 0.0645 0.0514 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 ' 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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Al1 Cu1 Al2 120.85(4) . . . yes
Cu3 Cu1 Al1 67.70(5) 2_555 . . yes
Cu4 Cu1 Al1 84.81(8) 2_555 . . yes
Cu5 Cu1 Al1 68.46(5) 2_555 . . yes
Cu5 Cu1 Al1 150.52(9) 3_565 . . yes
Al1 Cu1 Al1 116.36(7) . . 4_565 yes
Cu3 Cu1 Al2 149.46(10) 2_555 . . yes
Cu4 Cu1 Al2 86.44(14) 2_555 . . yes
Cu5 Cu1 Al2 69.51(6) 2_555 . . yes
Cu5 Cu1 Al2 69.51(6) 3_565 . . yes
Al1 Cu1 Al2 120.85(4) 4_565 . . yes
Cu3 Cu1 Cu4 124.10(16) 2_555 . 2_555 yes
Cu3 Cu1 Cu5 90.12(8) 2_555 . 2_555 yes
Cu3 Cu1 Cu5 90.12(8) 2_555 . 3_565 yes
Cu3 Cu1 Al1 67.70(5) 2_555 . 4_565 yes
Cu4 Cu1 Cu5 124.49(9) 2_555 . 2_555 yes
Cu4 Cu1 Cu5 124.49(9) 2_555 . 3_565 yes
Cu4 Cu1 Al1 84.81(8) 2_555 . 4_565 yes
Cu5 Cu1 Cu5 93.49(9) 2_555 . 3_565 yes
Cu5 Cu1 Al1 150.52(9) 2_555 . 4_565 yes
Cu5 Cu1 Al1 68.46(5) 3_565 . 4_565 yes
Al1 Cu2 Al2 114.88(10) 2_555 . . yes
Al1 Cu2 Al2 114.07(10) . . . yes
Al1 Cu2 Al1 116.33(9) . . 2_555 yes
Cu5 Cu3 Al2 68.68(6) 2_555 . . yes
Cu5 Cu3 Al2 68.68(6) 3_565 . . yes
Cu6 Cu3 Al2 87.96(15) 2_555 . . yes
Al1 Cu3 Al2 120.49(4) 2_555 . . yes
Cu1 Cu3 Al2 147.86(10) 2_555 . . yes
Cu1 Cu3 Al1 68.41(5) 2_555 . 2_555 yes
Cu1 Cu3 Cu5 89.73(8) 2_555 . 3_565 yes
Cu1 Cu3 Al1 68.41(5) 2_555 . 3_565 yes
Cu5 Cu3 Cu6 125.03(10) 2_555 . 2_555 yes
Cu5 Cu3 Al1 68.59(5) 2_555 . 2_555 yes
Cu5 Cu3 Cu5 92.62(9) 2_555 . 3_565 yes
Cu5 Cu3 Al1 150.45(10) 2_555 . 3_565 yes
Cu6 Cu3 Al1 84.40(8) 2_555 . 2_555 yes
Cu5 Cu3 Cu6 125.03(10) 3_565 . 2_555 yes
Cu6 Cu3 Al1 84.40(8) 2_555 . 3_565 yes
Cu5 Cu3 Al1 150.45(10) 3_565 . 2_555 yes
Al1 Cu3 Al1 117.28(7) 2_555 . 3_565 yes
Cu5 Cu3 Al1 68.59(5) 3_565 . 3_565 yes
Al1 Cu3 Al2 120.49(4) 3_565 . . yes
Cu1 Cu3 Cu5 89.73(8) 2_555 . 2_555 yes
Cu1 Cu3 Cu6 124.18(17) 2_555 . 2_555 yes
Al1 Cu4 Al2 115.78(5) 2_555 . 2_555 yes
Al1 Cu4 Al1 112.51(7) 2_555 . 3_565 yes
Al1 Cu4 Al2 115.78(5) 3_565 . 2_555 yes
Cu1 Cu4 Al2 75.31(14) 2_555 . 2_555 yes
Cu1 Cu4 Al1 77.06(9) 2_555 . 3_565 yes
Cu1 Cu4 Al1 77.06(9) 2_555 . 2_555 yes
Al1 Cu5 Al1 122.73(7) . . 2_555 yes
Al1 Cu5 Al2 118.53(7) . . 2_555 yes
Al1 Cu5 Al2 118.31(7) 2_555 . 2_555 yes
Al1 Cu6 Al1 113.89(7) . . 4_565 yes
Cu3 Cu6 Al1 77.65(9) 2_555 . 4_565 yes
Al1 Cu6 Al2 115.19(5) 4_565 . 2_555 yes
Cu3 Cu6 Al2 74.39(14) 2_555 . 2_555 yes
Cu3 Cu6 Al1 77.65(9) 2_555 . . yes
Al1 Cu6 Al2 115.19(5) . . 2_555 yes
Cu1 Al1 Cu5 63.62(6) . . . yes
Cu1 Al1 Cu6 56.80(5) . . . yes
Cu1 Al1 C1 133.81(14) . . . yes
Cu1 Al1 C2 165.50(14) . . . yes
Cu1 Al1 C3 157.73(14) . . . yes
Cu1 Al1 C4 128.54(14) . . . yes
Cu1 Al1 C5 118.42(14) . . . yes
Cu1 Al1 Cu3 43.89(5) . . 2_555 yes
Cu1 Al1 Cu4 18.12(5) . . 2_555 yes
Cu1 Al1 Cu5 43.75(5) . . 2_555 yes
Cu5 Al1 Cu6 57.26(6) . . . yes
Cu5 Al1 C1 131.66(15) . . . yes
Cu5 Al1 C2 114.08(12) . . . yes
Cu5 Al1 C3 124.10(12) . . . yes
Cu5 Al1 C4 154.77(13) . . . yes
Cu5 Al1 C5 166.10(14) . . . yes
Cu3 Al1 Cu5 44.19(5) 2_555 . . yes
Cu4 Al1 Cu5 81.74(7) 2_555 . . yes
Cu5 Al1 Cu5 43.45(5) . . 2_555 yes
Cu6 Al1 C1 166.77(14) . . . yes
Cu6 Al1 C2 135.50(14) . . . yes
Cu6 Al1 C3 107.50(14) . . . yes
Cu6 Al1 C4 107.88(14) . . . yes
Cu6 Al1 C5 136.27(14) . . . yes
Cu3 Al1 Cu6 17.95(5) 2_555 . . yes
Cu4 Al1 Cu6 65.49(6) 2_555 . . yes
Cu5 Al1 Cu6 81.73(7) 2_555 . . yes
Cu2 Al1 C1 96.40(14) . . . yes
Cu2 Al1 C2 112.13(15) . . . yes
Cu2 Al1 C3 148.11(15) . . . yes
Cu2 Al1 C4 150.36(14) . . . yes
Cu2 Al1 C5 114.36(14) . . . yes
Cu2 Al1 Cu2 62.63(7) . . 2_555 yes
C1 Al1 C2 35.88(17) . . . yes
C1 Al1 C3 59.84(18) . . . yes
C1 Al1 C4 59.89(18) . . . yes
C1 Al1 C5 36.03(18) . . . yes
Cu3 Al1 C1 175.06(14) 2_555 . . yes
Cu4 Al1 C1 122.16(14) 2_555 . . yes
Cu5 Al1 C1 111.45(14) 2_555 . . yes
Cu2 Al1 C1 122.10(15) 2_555 . . yes
C2 Al1 C3 36.20(18) . . . yes
C2 Al1 C4 60.05(17) . . . yes
C2 Al1 C5 60.11(16) . . . yes
Cu3 Al1 C2 145.04(13) 2_555 . . yes
Cu4 Al1 C2 157.99(13) 2_555 . . yes
Cu5 Al1 C2 123.91(14) 2_555 . . yes
Cu2 Al1 C2 99.59(13) 2_555 . . yes
C3 Al1 C4 35.74(16) . . . yes
C3 Al1 C5 59.88(16) . . . yes
Cu3 Al1 C3 124.00(14) 2_555 . . yes
Cu4 Al1 C3 145.95(13) 2_555 . . yes
Cu5 Al1 C3 157.22(14) 2_555 . . yes
Cu2 Al1 C3 109.91(12) 2_555 . . yes
C4 Al1 C5 36.03(17) . . . yes
Cu3 Al1 C4 125.03(14) 2_555 . . yes
Cu4 Al1 C4 112.03(14) 2_555 . . yes
Cu5 Al1 C4 161.57(13) 2_555 . . yes
Cu2 Al1 C4 143.65(14) 2_555 . . yes
Cu3 Al1 C5 147.54(14) 2_555 . . yes
Cu4 Al1 C5 100.84(14) 2_555 . . yes
Cu5 Al1 C5 127.15(14) 2_555 . . yes
Cu2 Al1 C5 157.83(15) 2_555 . . yes
Cu3 Al1 Cu4 56.93(6) 2_555 . 2_555 yes
Cu3 Al1 Cu5 63.78(6) 2_555 . 2_555 yes
Cu4 Al1 Cu5 56.81(6) 2_555 . 2_555 yes
Cu1 Al2 Cu3 62.69(6) . . . yes
Cu1 Al2 C11 125.7(3) . . . yes
Cu1 Al2 C12 150.7(2) . . . yes
Cu1 Al2 C13 173.4(2) . . . yes
Cu1 Al2 C14 141.5(2) . . . yes
Cu1 Al2 C15 121.8(3) . . . yes
Cu1 Al2 Cu4 18.25(6) . . 2_555 yes
Cu1 Al2 Cu5 44.00(5) . . 2_555 yes
Cu1 Al2 Cu6 80.34(7) . . 2_555 yes
Cu1 Al2 Cu5 44.00(5) . . 3_565 yes
Cu1 Al2 C11 125.7(3) . . 4_565 yes
Cu1 Al2 C12 150.7(2) . . 4_565 yes
Cu1 Al2 C13 173.4(2) . . 4_565 yes
Cu1 Al2 C14 141.5(2) . . 4_565 yes
Cu1 Al2 C15 121.8(3) . . 4_565 yes
Cu3 Al2 C11 155.4(3) . . . yes
Cu3 Al2 C12 124.8(3) . . . yes
Cu3 Al2 C13 113.40(15) . . . yes
Cu3 Al2 C14 129.7(3) . . . yes
Cu3 Al2 C15 164.9(2) . . . yes
Cu3 Al2 Cu4 80.93(7) . . 2_555 yes
Cu3 Al2 Cu5 44.09(5) . . 2_555 yes
Cu3 Al2 Cu6 17.66(6) . . 2_555 yes
Cu3 Al2 Cu5 44.09(5) . . 3_565 yes
Cu3 Al2 C11 155.4(3) . . 4_565 yes
Cu3 Al2 C12 124.8(3) . . 4_565 yes
Cu3 Al2 C13 113.40(15) . . 4_565 yes
Cu3 Al2 C14 129.7(3) . . 4_565 yes
Cu3 Al2 C15 164.9(2) . . 4_565 yes
Cu2 Al2 Cu2 96.09(9) . . 4_565 yes
C11 Al2 C12 35.5(4) . . . yes
C11 Al2 C13 60.2(4) . . . yes
C11 Al2 C14 61.0(4) . . . yes
C11 Al2 C15 36.4(3) . . . yes
Cu4 Al2 C11 109.2(3) 2_555 . . yes
Cu5 Al2 C11 159.4(3) 2_555 . . yes
Cu6 Al2 C11 144.1(3) 2_555 . . yes
Cu5 Al2 C11 122.3(3) 3_565 . . yes
C11 Al2 C11 43.6(3) . . 4_565 yes
C11 Al2 C12 61.3(4) . . 4_565 yes
C11 Al2 C13 55.5(4) . . 4_565 yes
C11 Al2 C14 27.9(4) . . 4_565 yes
C11 Al2 C15 9.6(4) . . 4_565 yes
C12 Al2 C13 35.8(3) . . . yes
C12 Al2 C14 60.0(3) . . . yes
C12 Al2 C15 59.6(4) . . . yes
Cu4 Al2 C12 140.2(2) 2_555 . . yes
Cu5 Al2 C12 162.6(3) 2_555 . . yes
Cu6 Al2 C12 109.6(3) 2_555 . . yes
Cu5 Al2 C12 117.9(2) 3_565 . . yes
C11 Al2 C12 61.3(4) 4_565 . . yes
C12 Al2 C12 53.6(3) . . 4_565 yes
C12 Al2 C13 26.4(3) . . 4_565 yes
C12 Al2 C14 10.1(3) . . 4_565 yes
C12 Al2 C15 43.5(4) . . 4_565 yes
C13 Al2 C14 36.2(3) . . . yes
C13 Al2 C15 60.5(4) . . . yes
Cu4 Al2 C13 164.61(17) 2_555 . . yes
Cu5 Al2 C13 129.4(2) 2_555 . . yes
Cu6 Al2 C13 95.82(15) 2_555 . . yes
Cu5 Al2 C13 137.42(19) 3_565 . . yes
C11 Al2 C13 55.5(4) 4_565 . . yes
C12 Al2 C13 26.4(3) 4_565 . . yes
C13 Al2 C13 10.7(3) . . 4_565 yes
C13 Al2 C14 45.1(3) . . 4_565 yes
C13 Al2 C15 63.5(4) . . 4_565 yes
C14 Al2 C15 36.9(4) . . . yes
Cu4 Al2 C14 130.1(3) 2_555 . . yes
Cu5 Al2 C14 114.3(2) 2_555 . . yes
Cu6 Al2 C14 116.2(3) 2_555 . . yes
Cu5 Al2 C14 172.2(3) 3_565 . . yes
C11 Al2 C14 27.9(4) 4_565 . . yes
C12 Al2 C14 10.1(3) 4_565 . . yes
C13 Al2 C14 45.1(3) 4_565 . . yes
C14 Al2 C14 64.9(3) . . 4_565 yes
C14 Al2 C15 57.4(4) . . 4_565 yes
Cu4 Al2 C15 104.2(3) 2_555 . . yes
Cu5 Al2 C15 127.1(3) 2_555 . . yes
Cu6 Al2 C15 153.0(3) 2_555 . . yes
Cu5 Al2 C15 150.0(3) 3_565 . . yes
C11 Al2 C15 9.6(4) 4_565 . . yes
C12 Al2 C15 43.5(4) 4_565 . . yes
C13 Al2 C15 63.5(4) 4_565 . . yes
C14 Al2 C15 57.4(4) 4_565 . . yes
C15 Al2 C15 28.2(3) . . 4_565 yes
Cu4 Al2 Cu5 56.88(5) 2_555 . 2_555 yes
Cu4 Al2 Cu6 98.59(8) 2_555 . 2_555 yes
Cu4 Al2 Cu5 56.88(5) 2_555 . 3_565 yes
Cu4 Al2 C11 109.2(3) 2_555 . 4_565 yes
Cu4 Al2 C12 140.2(2) 2_555 . 4_565 yes
Cu4 Al2 C13 164.61(17) 2_555 . 4_565 yes
Cu4 Al2 C14 130.1(3) 2_555 . 4_565 yes
Cu4 Al2 C15 104.2(3) 2_555 . 4_565 yes
Cu5 Al2 Cu6 56.54(5) 2_555 . 2_555 yes
Cu5 Al2 Cu5 65.38(6) 2_555 . 3_565 yes
Cu5 Al2 C11 122.3(3) 2_555 . 4_565 yes
Cu5 Al2 C12 117.9(2) 2_555 . 4_565 yes
Cu5 Al2 C13 137.42(19) 2_555 . 4_565 yes
Cu5 Al2 C14 172.2(3) 2_555 . 4_565 yes
Cu5 Al2 C15 150.0(3) 2_555 . 4_565 yes
Cu5 Al2 Cu6 56.54(5) 3_565 . 2_555 yes
Cu6 Al2 C11 144.1(3) 2_555 . 4_565 yes
Cu6 Al2 C12 109.6(3) 2_555 . 4_565 yes
Cu6 Al2 C13 95.82(15) 2_555 . 4_565 yes
Cu6 Al2 C14 116.2(3) 2_555 . 4_565 yes
Cu6 Al2 C15 153.0(3) 2_555 . 4_565 yes
Cu5 Al2 C11 159.4(3) 3_565 . 4_565 yes
Cu5 Al2 C12 162.6(3) 3_565 . 4_565 yes
Cu5 Al2 C13 129.4(2) 3_565 . 4_565 yes
Cu5 Al2 C14 114.3(2) 3_565 . 4_565 yes
Cu5 Al2 C15 127.1(3) 3_565 . 4_565 yes
C11 Al2 C12 35.5(4) 4_565 . 4_565 yes
C11 Al2 C13 60.2(4) 4_565 . 4_565 yes
C11 Al2 C14 61.0(4) 4_565 . 4_565 yes
C11 Al2 C15 36.4(3) 4_565 . 4_565 yes
C12 Al2 C13 35.8(3) 4_565 . 4_565 yes
C12 Al2 C14 60.0(3) 4_565 . 4_565 yes
C12 Al2 C15 59.6(4) 4_565 . 4_565 yes
C13 Al2 C14 36.2(3) 4_565 . 4_565 yes
C13 Al2 C15 60.5(4) 4_565 . 4_565 yes
C14 Al2 C15 36.9(4) 4_565 . 4_565 yes
Al1 C1 C2 71.3(3) . . . yes
Al1 C1 C5 72.4(3) . . . yes
Al1 C1 C6 121.7(4) . . . yes
C2 C1 C5 108.3(4) . . . no
C2 C1 C6 126.3(5) . . . no
C5 C1 C6 125.3(5) . . . no
Al1 C2 C1 72.8(3) . . . yes
Al1 C2 C3 72.2(3) . . . yes
Al1 C2 C7 121.6(4) . . . yes
C1 C2 C3 107.9(4) . . . no
C1 C2 C7 126.4(5) . . . no
C3 C2 C7 125.7(4) . . . no
Al1 C3 C2 71.6(3) . . . yes
Al1 C3 C4 72.9(3) . . . yes
Al1 C3 C8 124.0(4) . . . yes
C2 C3 C4 108.5(4) . . . no
C2 C3 C8 126.3(4) . . . no
C4 C3 C8 125.2(5) . . . no
Al1 C4 C3 71.4(3) . . . yes
Al1 C4 C5 72.1(3) . . . yes
Al1 C4 C9 124.5(4) . . . yes
C3 C4 C5 107.9(4) . . . no
C3 C4 C9 124.1(5) . . . no
C5 C4 C9 127.9(4) . . . no
Al1 C5 C1 71.6(3) . . . yes
Al1 C5 C4 71.9(2) . . . yes
Al1 C5 C10 122.5(4) . . . yes
C1 C5 C4 107.4(4) . . . no
C1 C5 C10 127.0(5) . . . no
C4 C5 C10 125.6(5) . . . no
Al2 C11 C12 74.0(6) . . . yes
Al2 C11 C15 71.2(6) . . . yes
Al2 C11 C16 124.6(9) . . . yes
C12 C11 C15 108.0(9) . . . no
C12 C11 C16 126.7(9) . . . no
C15 C11 C16 125.2(11) . . . no
Al2 C12 C11 70.5(6) . . . yes
Al2 C12 C13 70.1(5) . . . yes
Al2 C12 C17 124.8(7) . . . yes
C11 C12 C13 108.3(7) . . . no
C11 C12 C17 125.4(9) . . . no
C13 C12 C17 126.3(9) . . . no
Al2 C13 C12 74.2(5) . . . yes
Al2 C13 C14 70.6(5) . . . yes
Al2 C13 C18 121.1(4) . . . yes
C12 C13 C14 108.3(7) . . . no
C12 C13 C18 125.4(8) . . . no
C14 C13 C18 126.4(8) . . . no
Al2 C14 C13 73.2(5) . . . yes
Al2 C14 C15 72.6(6) . . . yes
Al2 C14 C19 119.6(7) . . . yes
C13 C14 C15 107.9(7) . . . no
C13 C14 C19 123.6(9) . . . no
C15 C14 C19 128.6(9) . . . no
Al2 C15 C11 72.4(6) . . . yes
Al2 C15 C14 70.5(6) . . . yes
Al2 C15 C20 123.7(8) . . . yes
C11 C15 C14 107.5(9) . . . no
C11 C15 C20 126.6(10) . . . no
C14 C15 C20 125.9(8) . . . no
C1 C6 H6A 109.00 . . . no
C1 C6 H6B 109.00 . . . no
C1 C6 H6C 109.00 . . . no
H6A C6 H6B 109.00 . . . no
H6A C6 H6C 109.00 . . . no
H6B C6 H6C 110.00 . . . no
C2 C7 H7A 109.00 . . . no
C2 C7 H7B 110.00 . . . no
C2 C7 H7C 109.00 . . . no
H7A C7 H7B 109.00 . . . no
H7A C7 H7C 109.00 . . . no
H7B C7 H7C 110.00 . . . no
C3 C8 H8A 109.00 . . . no
C3 C8 H8B 109.00 . . . no
C3 C8 H8C 109.00 . . . no
H8A C8 H8B 110.00 . . . no
H8A C8 H8C 110.00 . . . no
H8B C8 H8C 109.00 . . . no
C4 C9 H9A 109.00 . . . no
C4 C9 H9B 109.00 . . . no
C4 C9 H9C 109.00 . . . no
H9A C9 H9B 110.00 . . . no
H9A C9 H9C 109.00 . . . no
H9B C9 H9C 110.00 . . . no
C5 C10 H10A 109.00 . . . no
C5 C10 H10B 109.00 . . . no
C5 C10 H10C 109.00 . . . no
H10A C10 H10B 109.00 . . . no
H10A C10 H10C 109.00 . . . no
H10B C10 H10C 110.00 . . . no
C11 C16 H16A 109.00 . . . no
C11 C16 H16B 109.00 . . . no
C11 C16 H16C 109.00 . . . no
H16A C16 H16B 110.00 . . . no
H16A C16 H16C 109.00 . . . no
H16B C16 H16C 110.00 . . . no
C12 C17 H17A 109.00 . . . no
C12 C17 H17B 109.00 . . . no
C12 C17 H17C 109.00 . . . no
H17A C17 H17B 109.00 . . . no
H17A C17 H17C 110.00 . . . no
H17B C17 H17C 109.00 . . . no
C13 C18 H18A 109.00 . . . no
C13 C18 H18B 109.00 . . . no
C13 C18 H18C 109.00 . . . no
H18A C18 H18B 109.00 . . . no
H18A C18 H18C 110.00 . . . no
H18B C18 H18C 109.00 . . . no
C14 C19 H19A 109.00 . . . no
C14 C19 H19B 109.00 . . . no
C14 C19 H19C 109.00 . . . no
H19A C19 H19B 109.00 . . . no
H19A C19 H19C 109.00 . . . no
H19B C19 H19C 110.00 . . . no
C15 C20 H20A 109.00 . . . no
C15 C20 H20B 109.00 . . . no
C15 C20 H20C 109.00 . . . no
H20A C20 H20B 109.00 . . . no
H20A C20 H20C 110.00 . . . no
H20B C20 H20C 110.00 . . . no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 Al1 2.4851(15) . . yes
Cu1 Al2 2.450(2) . . yes
Cu1 Cu3 1.853(2) . 2_555 yes
Cu1 Cu4 0.793(2) . 2_555 yes
Cu1 Cu5 1.8560(18) . 2_555 yes
Cu1 Cu5 1.8560(18) . 3_565 yes
Cu1 Al1 2.4851(15) . 4_565 yes
Cu2 Al1 2.588(3) . . yes
Cu2 Al2 2.528(3) . . yes
Cu2 Al1 2.571(2) . 2_555 yes
Cu3 Al1 2.4728(15) . 2_555 yes
Cu3 Cu5 1.8694(18) . 3_565 yes
Cu3 Al1 2.4728(15) . 3_565 yes
Cu3 Cu5 1.8694(18) . 2_555 yes
Cu3 Cu6 0.780(2) . 2_555 yes
Cu3 Al2 2.477(2) . . yes
Cu4 Al1 2.5394(16) . 2_555 yes
Cu4 Al2 2.528(2) . 2_555 yes
Cu4 Al1 2.5394(16) . 3_565 yes
Cu5 Al2 2.5028(19) . 2_555 yes
Cu5 Al1 2.4969(19) . . yes
Cu5 Al1 2.4967(19) . 2_555 yes
Cu6 Al1 2.5193(16) . . yes
Cu6 Al2 2.571(2) . 2_555 yes
Cu6 Al1 2.5193(16) . 4_565 yes
Al1 C1 2.286(5) . . yes
Al1 C2 2.267(5) . . yes
Al1 C3 2.276(5) . . yes
Al1 C4 2.295(5) . . yes
Al1 C5 2.297(4) . . yes
Al2 C11 2.276(12) . . yes
Al2 C12 2.320(10) . . yes
Al2 C13 2.267(7) . . yes
Al2 C14 2.234(10) . . yes
Al2 C15 2.261(11) . . yes
Al2 C11 2.276(12) . 4_565 yes
Al2 C12 2.320(10) . 4_565 yes
Al2 C13 2.267(7) . 4_565 yes
Al2 C14 2.234(10) . 4_565 yes
Al2 C15 2.261(11) . 4_565 yes
C1 C2 1.403(7) . . no
C1 C5 1.417(7) . . no
C1 C6 1.513(7) . . no
C2 C3 1.411(7) . . no
C2 C7 1.516(8) . . no
C3 C4 1.403(6) . . no
C3 C8 1.501(7) . . no
C4 C5 1.420(7) . . no
C4 C9 1.511(8) . . no
C5 C10 1.480(7) . . no
C11 C12 1.400(16) . . no
C11 C15 1.416(12) . . no
C11 C16 1.515(16) . . no
C12 C13 1.410(12) . . no
C12 C17 1.515(14) . . no
C13 C14 1.399(12) . . no
C13 C18 1.500(10) . . no
C14 C15 1.422(15) . . no
C14 C19 1.513(12) . . no
C15 C20 1.481(16) . . no
C6 H6A 0.9800 . . no
C6 H6B 0.9800 . . no
C6 H6C 0.9800 . . no
C7 H7A 0.9800 . . no
C7 H7B 0.9800 . . no
C7 H7C 0.9800 . . no
C8 H8A 0.9800 . . no
C8 H8B 0.9800 . . no
C8 H8C 0.9800 . . no
C9 H9A 0.9800 . . no
C9 H9B 0.9800 . . no
C9 H9C 0.9800 . . no
C10 H10A 0.9800 . . no
C10 H10B 0.9800 . . no
C10 H10C 0.9800 . . no
C16 H16A 0.9800 . . no
C16 H16B 0.9800 . . no
C16 H16C 0.9800 . . no
C17 H17A 0.9800 . . no
C17 H17B 0.9800 . . no
C17 H17C 0.9800 . . no
C18 H18A 0.9800 . . no
C18 H18B 0.9800 . . no
C18 H18C 0.9800 . . no
C19 H19A 0.9800 . . no
C19 H19B 0.9800 . . no
C19 H19C 0.9800 . . no
C20 H20A 0.9800 . . no
C20 H20B 0.9800 . . no
C20 H20C 0.9800 . . no
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Al2 Cu1 Al1 Cu5 -96.78(9) . . . . no
Al2 Cu1 Al1 Cu6 -163.40(10) . . . . no
Al2 Cu1 Al1 C1 26.8(2) . . . . no
Al2 Cu1 Al1 C3 147.1(3) . . . . no
Al2 Cu1 Al1 C4 109.59(18) . . . . no
Al2 Cu1 Al1 C5 67.72(17) . . . . no
Al2 Cu1 Al1 Cu5 -47.61(8) . . . 2_555 no
Cu3 Cu1 Al1 Cu5 50.29(7) 2_555 . . . no
Cu3 Cu1 Al1 C1 173.8(2) 2_555 . . . no
Cu3 Cu1 Al1 C3 -65.8(3) 2_555 . . . no
Cu3 Cu1 Al1 C4 -103.34(18) 2_555 . . . no
Cu3 Cu1 Al1 C5 -145.22(16) 2_555 . . . no
Cu4 Cu1 Al1 Cu5 -179.49(13) 2_555 . . . no
Cu4 Cu1 Al1 C1 -56.0(2) 2_555 . . . no
Cu4 Cu1 Al1 C3 64.4(4) 2_555 . . . no
Cu4 Cu1 Al1 C4 26.9(2) 2_555 . . . no
Cu4 Cu1 Al1 C5 -15.00(19) 2_555 . . . no
Cu5 Cu1 Al1 Cu5 -49.17(7) 2_555 . . . no
Cu5 Cu1 Al1 Cu6 -115.79(8) 2_555 . . . no
Cu5 Cu1 Al1 C1 74.4(2) 2_555 . . . no
Cu5 Cu1 Al1 C3 -165.3(3) 2_555 . . . no
Cu5 Cu1 Al1 C4 157.20(18) 2_555 . . . no
Cu5 Cu1 Al1 C5 115.32(16) 2_555 . . . no
Cu5 Cu1 Al1 Cu5 6.40(16) 3_565 . . . no
Cu5 Cu1 Al1 Cu6 -60.21(16) 3_565 . . . no
Cu5 Cu1 Al1 C1 129.9(2) 3_565 . . . no
Cu5 Cu1 Al1 C3 -109.7(3) 3_565 . . . no
Cu5 Cu1 Al1 C4 -147.2(2) 3_565 . . . no
Cu5 Cu1 Al1 C5 170.90(19) 3_565 . . . no
Al1 Cu1 Al1 Cu5 98.92(8) 4_565 . . . no
Al1 Cu1 Al1 Cu6 32.30(7) 4_565 . . . no
Al1 Cu1 Al1 C1 -137.6(2) 4_565 . . . no
Al1 Cu1 Al1 C3 -17.2(4) 4_565 . . . no
Al1 Cu1 Al1 C4 -54.71(19) 4_565 . . . no
Al1 Cu1 Al1 C5 -96.59(16) 4_565 . . . no
Al1 Cu1 Al2 Cu3 98.20(8) . . . . no
Al1 Cu1 Al2 C11 -109.0(3) . . . . no
Al1 Cu1 Al2 C12 -148.8(5) . . . . no
Al1 Cu1 Al2 C14 -22.2(4) . . . . no
Al1 Cu1 Al2 C15 -65.2(3) . . . . no
Al1 Cu1 Al2 Cu5 47.17(7) . . . 2_555 no
Al1 Cu1 Al2 Cu5 149.23(11) . . . 3_565 no
Al1 Cu1 Al2 C11 -54.6(3) . . . 4_565 no
Al1 Cu1 Al2 C12 -14.8(6) . . . 4_565 no
Al1 Cu1 Al2 C14 -141.4(4) . . . 4_565 no
Al1 Cu1 Al2 C15 -98.4(3) . . . 4_565 no
Cu5 Cu1 Al2 C11 -156.2(3) 2_555 . . . no
Cu5 Cu1 Al2 C12 164.1(5) 2_555 . . . no
Cu5 Cu1 Al2 C14 -69.4(4) 2_555 . . . no
Cu5 Cu1 Al2 C15 -112.3(3) 2_555 . . . no
Cu5 Cu1 Al2 C11 101.7(3) 3_565 . . . no
Cu5 Cu1 Al2 C12 62.0(5) 3_565 . . . no
Cu5 Cu1 Al2 C14 -171.5(4) 3_565 . . . no
Cu5 Cu1 Al2 C15 145.6(3) 3_565 . . . no
Al1 Cu1 Al2 C11 54.6(3) 4_565 . . . no
Al1 Cu1 Al2 C12 14.8(6) 4_565 . . . no
Al1 Cu1 Al2 C14 141.4(4) 4_565 . . . no
Al1 Cu1 Al2 C15 98.4(3) 4_565 . . . no
Al1 Cu1 Cu5 Cu3 156.15(8) . . 2_555 . no
Al1 Cu1 Cu5 Al2 -137.40(6) . . 2_555 . no
Al2 Cu1 Cu5 Al1 137.40(6) . . 2_555 . no
Al1 Cu1 Cu5 Cu3 -50.38(17) . . 3_565 . no
Al1 Cu1 Cu5 Al2 -116.83(15) . . 3_565 . no
Al1 Cu1 Al1 Cu6 -32.30(7) . . 4_565 . no
Cu5 Cu3 Al2 C11 -167.7(8) 2_555 . . . no
Cu5 Cu3 Al2 C12 162.4(3) 2_555 . . . no
Cu5 Cu3 Al2 C13 123.2(2) 2_555 . . . no
Cu5 Cu3 Al2 C14 84.8(3) 2_555 . . . no
Al1 Cu3 Al2 C11 145.6(7) 2_555 . . . no
Al1 Cu3 Al2 C12 115.6(3) 2_555 . . . no
Al1 Cu3 Al2 C13 76.4(2) 2_555 . . . no
Al1 Cu3 Al2 C14 38.0(3) 2_555 . . . no
Cu5 Cu3 Al2 C11 -65.8(8) 3_565 . . . no
Cu5 Cu3 Al2 C12 -95.8(3) 3_565 . . . no
Cu5 Cu3 Al2 C13 -134.9(2) 3_565 . . . no
Cu5 Cu3 Al2 C14 -173.4(3) 3_565 . . . no
Al1 Cu3 Al2 C11 -19.0(8) 3_565 . . . no
Al1 Cu3 Al2 C12 -49.0(3) 3_565 . . . no
Al1 Cu3 Al2 C13 -88.1(2) 3_565 . . . no
Al1 Cu3 Al2 C14 -126.6(3) 3_565 . . . no
Al2 Cu3 Cu5 Al1 107.30(15) . . 2_555 . no
Al2 Cu3 Al1 Cu5 95.97(9) . . 2_555 . no
Al1 Cu5 Al1 Cu1 92.67(8) 2_555 . . . no
Al1 Cu5 Al1 Cu6 158.61(10) 2_555 . . . no
Al1 Cu5 Al1 C1 -33.7(2) 2_555 . . . no
Al1 Cu5 Al1 C2 -71.49(17) 2_555 . . . no
Al1 Cu5 Al1 C3 -111.60(18) 2_555 . . . no
Al1 Cu5 Al1 C4 -142.0(3) 2_555 . . . no
Al1 Cu5 Al1 Cu5 43.13(8) 2_555 . . 2_555 no
Al2 Cu5 Al1 Cu1 -95.01(8) 2_555 . . . no
Al2 Cu5 Al1 Cu6 -29.07(7) 2_555 . . . no
Al2 Cu5 Al1 C1 138.62(18) 2_555 . . . no
Al2 Cu5 Al1 C2 100.83(16) 2_555 . . . no
Al2 Cu5 Al1 C3 60.73(19) 2_555 . . . no
Al2 Cu5 Al1 C4 30.4(4) 2_555 . . . no
Al1 Cu5 Al1 Cu3 -93.16(8) . . 2_555 . no
Al1 Cu5 Al1 Cu4 -159.29(10) . . 2_555 . no
Al1 Cu5 Al1 Cu5 -43.13(8) . . 2_555 2_555 no
Al1 Cu5 Al1 C1 85.47(17) . . 2_555 2_555 no
Al1 Cu5 Al1 C2 47.18(17) . . 2_555 2_555 no
Al1 Cu5 Al1 C3 22.8(4) . . 2_555 2_555 no
Al1 Cu5 Al1 C5 123.05(18) . . 2_555 2_555 no
Al1 Cu5 Al2 Cu4 158.85(9) . . 2_555 . no
Al1 Cu5 Al2 Cu6 28.69(6) . . 2_555 . no
Cu3 Cu6 Al1 Cu5 -38.61(12) 2_555 . . . no
Cu3 Cu6 Al1 C2 -130.8(2) 2_555 . . . no
Cu3 Cu6 Al1 C3 -158.35(17) 2_555 . . . no
Cu3 Cu6 Al1 C4 164.07(17) 2_555 . . . no
Cu3 Cu6 Al1 C5 137.2(2) 2_555 . . . no
Al2 Cu6 Al1 Cu5 27.34(7) 2_555 . . . no
Al2 Cu6 Al1 C2 -64.8(2) 2_555 . . . no
Al2 Cu6 Al1 C3 -92.40(14) 2_555 . . . no
Al2 Cu6 Al1 C4 -129.98(14) 2_555 . . . no
Al2 Cu6 Al1 C5 -156.83(19) 2_555 . . . no
Al1 Cu6 Al1 Cu1 -31.10(7) 4_565 . . . no
Al1 Cu6 Al1 Cu5 -108.95(9) 4_565 . . . no
Al1 Cu6 Al1 C2 158.89(17) 4_565 . . . no
Al1 Cu6 Al1 C3 131.31(13) 4_565 . . . no
Al1 Cu6 Al1 C4 93.73(15) 4_565 . . . no
Al1 Cu6 Al1 C5 66.9(2) 4_565 . . . no
Al1 Cu6 Al2 Cu5 -27.52(7) . . 2_555 . no
Al1 Cu6 Al1 Cu1 31.10(7) . . 4_565 . no
Cu1 Al1 C1 C2 -164.3(2) . . . . no
Cu1 Al1 C1 C5 78.6(3) . . . . no
Cu1 Al1 C1 C6 -42.6(5) . . . . no
Cu5 Al1 C1 C2 -72.6(3) . . . . no
Cu5 Al1 C1 C5 170.3(2) . . . . no
Cu5 Al1 C1 C6 49.1(5) . . . . no
C2 Al1 C1 C5 -117.1(4) . . . . no
C2 Al1 C1 C6 121.8(5) . . . . no
C3 Al1 C1 C2 37.9(3) . . . . no
C3 Al1 C1 C5 -79.2(3) . . . . no
C3 Al1 C1 C6 159.7(5) . . . . no
C4 Al1 C1 C2 79.5(3) . . . . no
C4 Al1 C1 C5 -37.6(3) . . . . no
C4 Al1 C1 C6 -158.8(5) . . . . no
C5 Al1 C1 C2 117.1(4) . . . . no
C5 Al1 C1 C6 -121.2(5) . . . . no
Cu4 Al1 C1 C2 177.9(2) 2_555 . . . no
Cu4 Al1 C1 C5 60.9(3) 2_555 . . . no
Cu4 Al1 C1 C6 -60.3(4) 2_555 . . . no
Cu5 Al1 C1 C2 -118.7(3) 2_555 . . . no
Cu5 Al1 C1 C5 124.3(3) 2_555 . . . no
Cu5 Al1 C1 C6 3.1(4) 2_555 . . . no
Cu5 Al1 C2 C1 128.7(3) . . . . no
Cu5 Al1 C2 C3 -115.4(2) . . . . no
Cu5 Al1 C2 C7 6.0(5) . . . . no
Cu6 Al1 C2 C1 -164.3(2) . . . . no
Cu6 Al1 C2 C3 -48.4(3) . . . . no
Cu6 Al1 C2 C7 73.1(5) . . . . no
C1 Al1 C2 C3 115.9(4) . . . . no
C1 Al1 C2 C7 -122.6(6) . . . . no
C3 Al1 C2 C1 -115.9(4) . . . . no
C3 Al1 C2 C7 121.5(5) . . . . no
C4 Al1 C2 C1 -79.0(3) . . . . no
C4 Al1 C2 C3 37.0(2) . . . . no
C4 Al1 C2 C7 158.4(5) . . . . no
C5 Al1 C2 C1 -37.2(3) . . . . no
C5 Al1 C2 C3 78.8(3) . . . . no
C5 Al1 C2 C7 -159.8(5) . . . . no
Cu3 Al1 C2 C1 171.6(3) 2_555 . . . no
Cu3 Al1 C2 C3 -72.4(3) 2_555 . . . no
Cu3 Al1 C2 C7 49.0(5) 2_555 . . . no
Cu4 Al1 C2 C1 -4.7(5) 2_555 . . . no
Cu4 Al1 C2 C3 111.3(4) 2_555 . . . no
Cu4 Al1 C2 C7 -127.3(4) 2_555 . . . no
Cu5 Al1 C2 C1 79.8(3) 2_555 . . . no
Cu5 Al1 C2 C3 -164.3(2) 2_555 . . . no
Cu5 Al1 C2 C7 -42.8(5) 2_555 . . . no
Cu1 Al1 C3 C2 -171.5(3) . . . . no
Cu1 Al1 C3 C4 -54.6(5) . . . . no
Cu1 Al1 C3 C8 66.6(5) . . . . no
Cu5 Al1 C3 C2 84.8(3) . . . . no
Cu5 Al1 C3 C4 -158.4(2) . . . . no
Cu5 Al1 C3 C8 -37.1(5) . . . . no
Cu6 Al1 C3 C2 146.7(2) . . . . no
Cu6 Al1 C3 C4 -96.5(3) . . . . no
Cu6 Al1 C3 C8 24.8(4) . . . . no
C1 Al1 C3 C2 -37.6(3) . . . . no
C1 Al1 C3 C4 79.3(3) . . . . no
C1 Al1 C3 C8 -159.4(5) . . . . no
C2 Al1 C3 C4 116.9(4) . . . . no
C2 Al1 C3 C8 -121.9(5) . . . . no
C4 Al1 C3 C2 -116.9(4) . . . . no
C4 Al1 C3 C8 121.3(6) . . . . no
C5 Al1 C3 C2 -79.5(3) . . . . no
C5 Al1 C3 C4 37.4(3) . . . . no
C5 Al1 C3 C8 158.7(5) . . . . no
Cu3 Al1 C3 C2 138.8(2) 2_555 . . . no
Cu3 Al1 C3 C4 -104.4(3) 2_555 . . . no
Cu3 Al1 C3 C8 16.9(5) 2_555 . . . no
Cu4 Al1 C3 C2 -141.4(2) 2_555 . . . no
Cu4 Al1 C3 C4 -24.6(4) 2_555 . . . no
Cu4 Al1 C3 C8 96.7(4) 2_555 . . . no
Cu5 Al1 C3 C2 35.5(5) 2_555 . . . no
Cu5 Al1 C3 C4 152.3(3) 2_555 . . . no
Cu5 Al1 C3 C8 -86.4(6) 2_555 . . . no
Cu1 Al1 C4 C3 156.7(2) . . . . no
Cu1 Al1 C4 C5 -86.5(3) . . . . no
Cu1 Al1 C4 C9 37.7(5) . . . . no
Cu5 Al1 C4 C3 45.8(5) . . . . no
Cu5 Al1 C4 C5 162.5(3) . . . . no
Cu5 Al1 C4 C9 -73.3(6) . . . . no
Cu6 Al1 C4 C3 95.3(3) . . . . no
Cu6 Al1 C4 C5 -147.9(3) . . . . no
Cu6 Al1 C4 C9 -23.8(4) . . . . no
C1 Al1 C4 C3 -79.1(3) . . . . no
C1 Al1 C4 C5 37.6(3) . . . . no
C1 Al1 C4 C9 161.8(5) . . . . no
C2 Al1 C4 C3 -37.5(3) . . . . no
C2 Al1 C4 C5 79.3(3) . . . . no
C2 Al1 C4 C9 -156.5(5) . . . . no
C3 Al1 C4 C5 116.8(4) . . . . no
C3 Al1 C4 C9 -119.1(5) . . . . no
C5 Al1 C4 C3 -116.8(4) . . . . no
C5 Al1 C4 C9 124.2(5) . . . . no
Cu3 Al1 C4 C3 101.3(3) 2_555 . . . no
Cu3 Al1 C4 C5 -142.0(3) 2_555 . . . no
Cu3 Al1 C4 C9 -17.8(5) 2_555 . . . no
Cu4 Al1 C4 C3 165.5(3) 2_555 . . . no
Cu4 Al1 C4 C5 -77.8(3) 2_555 . . . no
Cu4 Al1 C4 C9 46.4(4) 2_555 . . . no
Cu1 Al1 C5 C1 -126.5(3) . . . . no
Cu1 Al1 C5 C4 117.4(3) . . . . no
Cu1 Al1 C5 C10 -3.8(5) . . . . no
Cu6 Al1 C5 C1 163.1(2) . . . . no
Cu6 Al1 C5 C4 47.0(4) . . . . no
Cu6 Al1 C5 C10 -74.3(5) . . . . no
C1 Al1 C5 C4 -116.1(4) . . . . no
C1 Al1 C5 C10 122.6(6) . . . . no
C2 Al1 C5 C1 37.0(3) . . . . no
C2 Al1 C5 C4 -79.1(3) . . . . no
C2 Al1 C5 C10 159.6(5) . . . . no
C3 Al1 C5 C1 79.1(3) . . . . no
C3 Al1 C5 C4 -37.1(3) . . . . no
C3 Al1 C5 C10 -158.3(5) . . . . no
C4 Al1 C5 C1 116.1(4) . . . . no
C4 Al1 C5 C10 -121.2(6) . . . . no
Cu3 Al1 C5 C1 -173.9(3) 2_555 . . . no
Cu3 Al1 C5 C4 69.9(4) 2_555 . . . no
Cu3 Al1 C5 C10 -51.3(6) 2_555 . . . no
Cu4 Al1 C5 C1 -131.2(3) 2_555 . . . no
Cu4 Al1 C5 C4 112.7(3) 2_555 . . . no
Cu4 Al1 C5 C10 -8.5(5) 2_555 . . . no
Cu5 Al1 C5 C1 -74.8(3) 2_555 . . . no
Cu5 Al1 C5 C4 169.1(2) 2_555 . . . no
Cu5 Al1 C5 C10 47.8(5) 2_555 . . . no
Cu1 Al2 C11 C12 -147.3(5) . . . . no
Cu1 Al2 C11 C15 96.8(7) . . . . no
Cu1 Al2 C11 C16 -23.5(10) . . . . no
Cu3 Al2 C11 C12 -45.1(10) . . . . no
Cu3 Al2 C11 C15 -160.9(6) . . . . no
Cu3 Al2 C11 C16 78.8(13) . . . . no
C12 Al2 C11 C15 -115.9(9) . . . . no
C12 Al2 C11 C16 123.9(11) . . . . no
C13 Al2 C11 C12 36.2(5) . . . . no
C13 Al2 C11 C15 -79.7(7) . . . . no
C13 Al2 C11 C16 160.0(10) . . . . no
C14 Al2 C11 C12 78.0(6) . . . . no
C14 Al2 C11 C15 -37.9(7) . . . . no
C14 Al2 C11 C16 -158.2(10) . . . . no
C15 Al2 C11 C12 115.9(9) . . . . no
C15 Al2 C11 C16 -120.3(13) . . . . no
Cu4 Al2 C11 C12 -156.1(5) 2_555 . . . no
Cu4 Al2 C11 C15 88.1(7) 2_555 . . . no
Cu4 Al2 C11 C16 -32.2(9) 2_555 . . . no
Cu5 Al2 C11 C12 159.9(6) 2_555 . . . no
Cu5 Al2 C11 C15 44.1(12) 2_555 . . . no
Cu5 Al2 C11 C16 -76.2(11) 2_555 . . . no
Cu6 Al2 C11 C12 -17.6(8) 2_555 . . . no
Cu6 Al2 C11 C15 -133.4(6) 2_555 . . . no
Cu6 Al2 C11 C16 106.3(10) 2_555 . . . no
Cu5 Al2 C11 C12 -93.8(6) 3_565 . . . no
Cu5 Al2 C11 C15 150.4(6) 3_565 . . . no
Cu5 Al2 C11 C16 30.1(10) 3_565 . . . no
C11 Al2 C11 C12 106.0(8) 4_565 . . . no
C11 Al2 C11 C15 -9.9(7) 4_565 . . . no
C11 Al2 C11 C16 -130.2(12) 4_565 . . . no
C12 Al2 C11 C12 66.5(6) 4_565 . . . no
C12 Al2 C11 C15 -49.4(7) 4_565 . . . no
C12 Al2 C11 C16 -169.7(10) 4_565 . . . no
C13 Al2 C11 C12 24.8(5) 4_565 . . . no
C13 Al2 C11 C15 -91.1(7) 4_565 . . . no
C13 Al2 C11 C16 148.6(10) 4_565 . . . no
C14 Al2 C11 C12 -12.7(7) 4_565 . . . no
C14 Al2 C11 C15 -128.6(11) 4_565 . . . no
C14 Al2 C11 C16 111.1(11) 4_565 . . . no
C15 Al2 C11 C12 144(3) 4_565 . . . no
C15 Al2 C11 C15 28(2) 4_565 . . . no
C15 Al2 C11 C16 -93(3) 4_565 . . . no
Cu1 Al2 C12 C11 63.5(8) . . . . no
Cu1 Al2 C12 C13 -177.6(3) . . . . no
Cu1 Al2 C12 C17 -56.7(11) . . . . no
Cu3 Al2 C12 C11 159.0(5) . . . . no
Cu3 Al2 C12 C13 -82.2(5) . . . . no
Cu3 Al2 C12 C17 38.8(10) . . . . no
C11 Al2 C12 C13 118.9(7) . . . . no
C11 Al2 C12 C17 -120.2(11) . . . . no
C13 Al2 C12 C11 -118.9(7) . . . . no
C13 Al2 C12 C17 120.9(11) . . . . no
C14 Al2 C12 C11 -81.2(6) . . . . no
C14 Al2 C12 C13 37.7(5) . . . . no
C14 Al2 C12 C17 158.6(10) . . . . no
C15 Al2 C12 C11 -38.2(6) . . . . no
C15 Al2 C12 C13 80.6(5) . . . . no
C15 Al2 C12 C17 -158.5(10) . . . . no
Cu4 Al2 C12 C11 36.8(7) 2_555 . . . no
Cu4 Al2 C12 C13 155.6(3) 2_555 . . . no
Cu4 Al2 C12 C17 -83.4(10) 2_555 . . . no
Cu6 Al2 C12 C11 169.2(5) 2_555 . . . no
Cu6 Al2 C12 C13 -72.0(5) 2_555 . . . no
Cu6 Al2 C12 C17 48.9(9) 2_555 . . . no
Cu5 Al2 C12 C11 107.5(5) 3_565 . . . no
Cu5 Al2 C12 C13 -133.7(4) 3_565 . . . no
Cu5 Al2 C12 C17 -12.8(10) 3_565 . . . no
C11 Al2 C12 C11 -49.1(6) 4_565 . . . no
C11 Al2 C12 C13 69.8(5) 4_565 . . . no
C11 Al2 C12 C17 -169.3(10) 4_565 . . . no
C12 Al2 C12 C11 -90.5(6) 4_565 . . . no
C12 Al2 C12 C13 28.4(5) 4_565 . . . no
C12 Al2 C12 C17 149.3(10) 4_565 . . . no
C13 Al2 C12 C11 -129.1(9) 4_565 . . . no
C13 Al2 C12 C13 -10.3(5) 4_565 . . . no
C13 Al2 C12 C17 110.6(12) 4_565 . . . no
C14 Al2 C12 C11 36.2(18) 4_565 . . . no
C14 Al2 C12 C13 155(2) 4_565 . . . no
C14 Al2 C12 C17 -84(2) 4_565 . . . no
C15 Al2 C12 C11 -8.3(6) 4_565 . . . no
C15 Al2 C12 C13 110.6(6) 4_565 . . . no
C15 Al2 C12 C17 -128.5(10) 4_565 . . . no
Cu3 Al2 C13 C12 117.5(5) . . . . no
Cu3 Al2 C13 C14 -126.0(5) . . . . no
Cu3 Al2 C13 C18 -4.6(8) . . . . no
C11 Al2 C13 C12 -35.9(5) . . . . no
C11 Al2 C13 C14 80.6(5) . . . . no
C11 Al2 C13 C18 -158.0(8) . . . . no
C12 Al2 C13 C14 116.4(7) . . . . no
C12 Al2 C13 C18 -122.1(9) . . . . no
C14 Al2 C13 C12 -116.4(7) . . . . no
C14 Al2 C13 C18 121.5(9) . . . . no
C15 Al2 C13 C12 -78.0(5) . . . . no
C15 Al2 C13 C14 38.5(5) . . . . no
C15 Al2 C13 C18 159.9(8) . . . . no
Cu5 Al2 C13 C12 166.4(4) 2_555 . . . no
Cu5 Al2 C13 C14 -77.1(5) 2_555 . . . no
Cu5 Al2 C13 C18 44.3(8) 2_555 . . . no
Cu6 Al2 C13 C12 115.8(5) 2_555 . . . no
Cu6 Al2 C13 C14 -127.8(5) 2_555 . . . no
Cu6 Al2 C13 C18 -6.3(7) 2_555 . . . no
Cu5 Al2 C13 C12 70.8(5) 3_565 . . . no
Cu5 Al2 C13 C14 -172.7(4) 3_565 . . . no
Cu5 Al2 C13 C18 -51.3(8) 3_565 . . . no
C11 Al2 C13 C12 -87.6(6) 4_565 . . . no
C11 Al2 C13 C14 28.8(5) 4_565 . . . no
C11 Al2 C13 C18 150.3(8) 4_565 . . . no
C12 Al2 C13 C12 -120.7(8) 4_565 . . . no
C12 Al2 C13 C14 -4.3(7) 4_565 . . . no
C12 Al2 C13 C18 117.2(11) 4_565 . . . no
C13 Al2 C13 C12 25.2(10) 4_565 . . . no
C13 Al2 C13 C14 141.6(12) 4_565 . . . no
C13 Al2 C13 C18 -96.9(12) 4_565 . . . no
C14 Al2 C13 C12 -6.0(6) 4_565 . . . no
C14 Al2 C13 C14 110.5(6) 4_565 . . . no
C14 Al2 C13 C18 -128.1(9) 4_565 . . . no
C15 Al2 C13 C12 -46.1(5) 4_565 . . . no
C15 Al2 C13 C14 70.3(5) 4_565 . . . no
C15 Al2 C13 C18 -168.2(8) 4_565 . . . no
Cu1 Al2 C14 C13 169.8(3) . . . . no
Cu1 Al2 C14 C15 -74.7(7) . . . . no
Cu1 Al2 C14 C19 50.3(10) . . . . no
Cu3 Al2 C14 C13 74.9(5) . . . . no
Cu3 Al2 C14 C15 -169.6(5) . . . . no
Cu3 Al2 C14 C19 -44.6(9) . . . . no
C11 Al2 C14 C13 -78.2(6) . . . . no
C11 Al2 C14 C15 37.4(6) . . . . no
C11 Al2 C14 C19 162.3(10) . . . . no
C12 Al2 C14 C13 -37.2(5) . . . . no
C12 Al2 C14 C15 78.3(6) . . . . no
C12 Al2 C14 C19 -156.7(10) . . . . no
C13 Al2 C14 C15 115.5(8) . . . . no
C13 Al2 C14 C19 -119.5(10) . . . . no
C15 Al2 C14 C13 -115.5(8) . . . . no
C15 Al2 C14 C19 125.0(11) . . . . no
Cu4 Al2 C14 C13 -169.5(3) 2_555 . . . no
Cu4 Al2 C14 C15 -54.0(6) 2_555 . . . no
Cu4 Al2 C14 C19 71.0(9) 2_555 . . . no
Cu5 Al2 C14 C13 124.3(4) 2_555 . . . no
Cu5 Al2 C14 C15 -120.1(5) 2_555 . . . no
Cu5 Al2 C14 C19 4.8(9) 2_555 . . . no
Cu6 Al2 C14 C13 61.2(5) 2_555 . . . no
Cu6 Al2 C14 C15 176.7(5) 2_555 . . . no
Cu6 Al2 C14 C19 -58.3(8) 2_555 . . . no
C11 Al2 C14 C13 -122.0(9) 4_565 . . . no
C11 Al2 C14 C15 -6.4(7) 4_565 . . . no
C11 Al2 C14 C19 118.5(12) 4_565 . . . no
C12 Al2 C14 C13 11.0(17) 4_565 . . . no
C12 Al2 C14 C15 127(2) 4_565 . . . no
C12 Al2 C14 C19 -109(2) 4_565 . . . no
C13 Al2 C14 C13 -9.4(4) 4_565 . . . no
C13 Al2 C14 C15 106.1(7) 4_565 . . . no
C13 Al2 C14 C19 -128.9(10) 4_565 . . . no
C14 Al2 C14 C13 -47.1(5) 4_565 . . . no
C14 Al2 C14 C15 68.5(6) 4_565 . . . no
C14 Al2 C14 C19 -166.6(9) 4_565 . . . no
C15 Al2 C14 C13 -88.6(6) 4_565 . . . no
C15 Al2 C14 C15 27.0(6) 4_565 . . . no
C15 Al2 C14 C19 151.9(10) 4_565 . . . no
Cu1 Al2 C15 C11 -108.4(7) . . . . no
Cu1 Al2 C15 C14 135.1(5) . . . . no
Cu1 Al2 C15 C20 14.3(9) . . . . no
C11 Al2 C15 C14 -116.5(10) . . . . no
C11 Al2 C15 C20 122.7(12) . . . . no
C12 Al2 C15 C11 37.2(7) . . . . no
C12 Al2 C15 C14 -79.3(6) . . . . no
C12 Al2 C15 C20 159.9(10) . . . . no
C13 Al2 C15 C11 78.8(7) . . . . no
C13 Al2 C15 C14 -37.8(5) . . . . no
C13 Al2 C15 C20 -158.6(9) . . . . no
C14 Al2 C15 C11 116.5(10) . . . . no
C14 Al2 C15 C20 -120.8(10) . . . . no
Cu4 Al2 C15 C11 -103.1(7) 2_555 . . . no
Cu4 Al2 C15 C14 140.4(5) 2_555 . . . no
Cu4 Al2 C15 C20 19.6(8) 2_555 . . . no
Cu5 Al2 C15 C11 -162.1(6) 2_555 . . . no
Cu5 Al2 C15 C14 81.4(6) 2_555 . . . no
Cu5 Al2 C15 C20 -39.4(10) 2_555 . . . no
Cu6 Al2 C15 C11 110.1(7) 2_555 . . . no
Cu6 Al2 C15 C14 -6.5(9) 2_555 . . . no
Cu6 Al2 C15 C20 -127.2(8) 2_555 . . . no
Cu5 Al2 C15 C11 -56.7(10) 3_565 . . . no
Cu5 Al2 C15 C14 -173.2(4) 3_565 . . . no
Cu5 Al2 C15 C20 66.0(10) 3_565 . . . no
C11 Al2 C15 C11 135(3) 4_565 . . . no
C11 Al2 C15 C14 18(2) 4_565 . . . no
C11 Al2 C15 C20 -103(3) 4_565 . . . no
C12 Al2 C15 C11 104.8(9) 4_565 . . . no
C12 Al2 C15 C14 -11.8(5) 4_565 . . . no
C12 Al2 C15 C20 -132.5(10) 4_565 . . . no
C13 Al2 C15 C11 67.1(7) 4_565 . . . no
C13 Al2 C15 C14 -49.5(6) 4_565 . . . no
C13 Al2 C15 C20 -170.3(9) 4_565 . . . no
C14 Al2 C15 C11 25.7(7) 4_565 . . . no
C14 Al2 C15 C14 -90.8(7) 4_565 . . . no
C14 Al2 C15 C20 148.4(10) 4_565 . . . no
C15 Al2 C15 C11 -9.5(9) 4_565 . . . no
C15 Al2 C15 C14 -126.0(12) 4_565 . . . no
C15 Al2 C15 C20 113.2(13) 4_565 . . . no
Al1 C1 C2 C3 -64.1(3) . . . . no
Al1 C1 C2 C7 117.0(5) . . . . no
C5 C1 C2 Al1 63.4(4) . . . . no
C5 C1 C2 C3 -0.7(6) . . . . no
C5 C1 C2 C7 -179.7(5) . . . . no
C6 C1 C2 Al1 -116.1(5) . . . . no
C6 C1 C2 C3 179.8(5) . . . . no
C6 C1 C2 C7 0.8(9) . . . . no
Al1 C1 C5 C4 63.4(3) . . . . no
Al1 C1 C5 C10 -117.3(6) . . . . no
C2 C1 C5 Al1 -62.7(4) . . . . no
C2 C1 C5 C4 0.7(6) . . . . no
C2 C1 C5 C10 180.0(5) . . . . no
C6 C1 C5 Al1 116.8(5) . . . . no
C6 C1 C5 C4 -179.8(5) . . . . no
C6 C1 C5 C10 -0.5(9) . . . . no
Al1 C2 C3 C4 -64.0(3) . . . . no
Al1 C2 C3 C8 119.1(5) . . . . no
C1 C2 C3 Al1 64.5(4) . . . . no
C1 C2 C3 C4 0.5(6) . . . . no
C1 C2 C3 C8 -176.4(5) . . . . no
C7 C2 C3 Al1 -116.6(5) . . . . no
C7 C2 C3 C4 179.4(5) . . . . no
C7 C2 C3 C8 2.6(8) . . . . no
Al1 C3 C4 C5 -63.2(3) . . . . no
Al1 C3 C4 C9 119.6(5) . . . . no
C2 C3 C4 Al1 63.2(3) . . . . no
C2 C3 C4 C5 0.0(6) . . . . no
C2 C3 C4 C9 -177.2(5) . . . . no
C8 C3 C4 Al1 -119.9(5) . . . . no
C8 C3 C4 C5 176.9(5) . . . . no
C8 C3 C4 C9 -0.3(8) . . . . no
Al1 C4 C5 C1 -63.2(3) . . . . no
Al1 C4 C5 C10 117.5(6) . . . . no
C3 C4 C5 Al1 62.8(3) . . . . no
C3 C4 C5 C1 -0.4(6) . . . . no
C3 C4 C5 C10 -179.7(5) . . . . no
C9 C4 C5 Al1 -120.2(6) . . . . no
C9 C4 C5 C1 176.6(5) . . . . no
C9 C4 C5 C10 -2.7(9) . . . . no
Al2 C11 C12 C13 -60.1(6) . . . . no
Al2 C11 C12 C17 119.5(11) . . . . no
C15 C11 C12 Al2 63.6(8) . . . . no
C15 C11 C12 C13 3.5(13) . . . . no
C15 C11 C12 C17 -176.9(11) . . . . no
C16 C11 C12 Al2 -121.6(13) . . . . no
C16 C11 C12 C13 178.3(11) . . . . no
C16 C11 C12 C17 -2.1(19) . . . . no
Al2 C11 C15 C14 62.2(8) . . . . no
Al2 C11 C15 C20 -119.2(12) . . . . no
C12 C11 C15 Al2 -65.4(8) . . . . no
C12 C11 C15 C14 -3.2(14) . . . . no
C12 C11 C15 C20 175.4(11) . . . . no
C16 C11 C15 Al2 119.7(12) . . . . no
C16 C11 C15 C14 -178.2(11) . . . . no
C16 C11 C15 C20 0(2) . . . . no
Al2 C12 C13 C14 -62.8(6) . . . . no
Al2 C12 C13 C18 117.2(7) . . . . no
C11 C12 C13 Al2 60.5(8) . . . . no
C11 C12 C13 C14 -2.4(11) . . . . no
C11 C12 C13 C18 177.6(8) . . . . no
C17 C12 C13 Al2 -119.2(11) . . . . no
C17 C12 C13 C14 178.0(10) . . . . no
C17 C12 C13 C18 -2.0(14) . . . . no
Al2 C13 C14 C15 -64.8(7) . . . . no
Al2 C13 C14 C19 114.7(10) . . . . no
C12 C13 C14 Al2 65.1(6) . . . . no
C12 C13 C14 C15 0.3(11) . . . . no
C12 C13 C14 C19 179.8(9) . . . . no
C18 C13 C14 Al2 -114.9(7) . . . . no
C18 C13 C14 C15 -179.6(8) . . . . no
C18 C13 C14 C19 -0.1(14) . . . . no
Al2 C14 C15 C11 -63.4(8) . . . . no
Al2 C14 C15 C20 118.0(12) . . . . no
C13 C14 C15 Al2 65.2(6) . . . . no
C13 C14 C15 C11 1.8(12) . . . . no
C13 C14 C15 C20 -176.8(10) . . . . no
C19 C14 C15 Al2 -114.3(11) . . . . no
C19 C14 C15 C11 -177.7(11) . . . . no
C19 C14 C15 C20 3.7(19) . . . . no
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.029 0.000 0.000 342 122 ' '
2 -0.024 0.500 0.500 342 122 ' '
