#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/35/4103522.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_4103522
loop_
_publ_author_name
'Jeffrey S. Mugridge'
'Géza Szigethy'
'Robert G. Bergman'
'Kenneth N. Raymond'
_publ_section_title
;
 Encapsulated Guest-Host Dynamics: Guest Rotational Barriers and Tumbling
 as a Probe of Host Interior Cavity Space
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16256
_journal_page_last               16264
_journal_paper_doi               10.1021/ja107656g
_journal_volume                  132
_journal_year                    2010
_chemical_formula_moiety         'C149.5 H106.5 N13 O88.5 Ga4, 5(C13 H22 P)'
_chemical_formula_sum            'C214.5 H216.5 Ga4 K3 N13 O44.25 P5'
_chemical_formula_weight         4235.54
_chemical_melting_point          ?
_chemical_name_common            'Ga4L6 supramolecular cluster'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.28(3)
_cell_angle_beta                 92.80(3)
_cell_angle_gamma                109.91(3)
_cell_formula_units_Z            2
_cell_length_a                   20.380(4)
_cell_length_b                   20.556(4)
_cell_length_c                   35.192(7)
_cell_measurement_reflns_used    9917
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      54.225
_cell_measurement_theta_min      3.44
_cell_volume                     13842(5)
_computing_cell_refinement       'Bruker APEX2 v. 2009.1'
_computing_data_collection       'Bruker APEX2 v. 2009.1'
_computing_data_reduction        'Bruker APEX2 v. 2009.1'
_computing_molecular_graphics    ORETEP-32
_computing_publication_material  CIFTAB
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8.336
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω sacans'
_diffrn_radiation_monochromator  'HELIOS multilayer mirrors'
_diffrn_radiation_source         'microfocus rotating anode'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0568
_diffrn_reflns_av_sigmaI/netI    0.0754
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            99001
_diffrn_reflns_theta_full        54.42
_diffrn_reflns_theta_max         54.42
_diffrn_reflns_theta_min         2.29
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.611
_exptl_absorpt_correction_T_max  0.8636
_exptl_absorpt_correction_T_min  0.6622
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.016
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_description       plate
_exptl_crystal_F_000             4409
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.01
_platon_squeeze_details
;
;
_refine_diff_density_max         1.254
_refine_diff_density_min         -0.617
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2453
_refine_ls_number_reflns         33712
_refine_ls_number_restraints     190
_refine_ls_restrained_S_all      1.106
_refine_ls_R_factor_all          0.1248
_refine_ls_R_factor_gt           0.1038
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_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          0.2784
_refine_ls_wR_factor_ref         0.3028
_reflns_number_gt                22611
_reflns_number_total             33712
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja107656g_si_002.cif
_cod_data_source_block           jma7s
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        13841(5)
_cod_original_formula_sum        'C214.50 H216.50 Ga4 K3 N13 O44.25 P5'
_cod_database_code               4103522
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
K1 K 0.12807(11) 0.04315(12) 1.01667(5) 0.1189(7) Uani 1 1 d . . .
K2 K 0.49949(15) 0.80634(10) 0.69781(8) 0.1379(9) Uani 1 1 d D . .
K3 K 0.86924(9) 0.13466(11) 0.80093(7) 0.1145(7) Uani 1 1 d . . .
Ga1 Ga 0.18484(4) 0.14415(4) 0.93021(2) 0.0650(2) Uani 1 1 d . . .
Ga2 Ga 0.46476(4) 0.63590(4) 0.71515(2) 0.0661(2) Uani 1 1 d . . .
Ga3 Ga 0.71716(4) 0.16546(4) 0.75690(2) 0.0699(3) Uani 1 1 d . . .
Ga4 Ga 0.13588(4) 0.03880(5) 0.57390(2) 0.0765(3) Uani 1 1 d . . .
O1A O 0.0330(2) -0.0026(3) 0.57492(13) 0.0873(14) Uani 1 1 d . . .
O2A O 0.11909(19) 0.1185(2) 0.59825(12) 0.0744(12) Uani 1 1 d . . .
O3A O 0.0368(2) 0.2688(3) 0.63762(17) 0.0966(15) Uani 1 1 d . . .
O4A O 0.4873(2) 0.4693(2) 0.57389(12) 0.0745(11) Uani 1 1 d . . .
O5A O 0.4701(2) 0.56845(19) 0.67623(11) 0.0635(10) Uani 1 1 d . . .
O6A O 0.5489(2) 0.6977(2) 0.69132(13) 0.0771(12) Uani 1 1 d . . .
N1A N 0.1346(2) 0.2475(3) 0.62145(14) 0.0726(14) Uani 1 1 d . . .
H1A H 0.1500 0.2153 0.6148 0.087 Uiso 1 1 calc R . .
N2A N 0.4297(2) 0.4637(2) 0.62806(13) 0.0611(12) Uani 1 1 d . . .
H2A H 0.4284 0.4847 0.6490 0.073 Uiso 1 1 calc R . .
C1A C 0.0501(3) 0.1064(4) 0.60194(17) 0.0735(18) Uani 1 1 d . . .
C2A C 0.0045(3) 0.0399(4) 0.58981(18) 0.0796(19) Uani 1 1 d . . .
C3A C -0.0673(3) 0.0223(4) 0.5928(2) 0.094(2) Uani 1 1 d . . .
H3A H -0.0973 -0.0216 0.5851 0.113 Uiso 1 1 calc R . .
C4A C -0.0944(4) 0.0710(5) 0.6076(2) 0.102(3) Uani 1 1 d . . .
H4A H -0.1422 0.0585 0.6105 0.123 Uiso 1 1 calc R . .
C5A C -0.0512(3) 0.1371(4) 0.6177(2) 0.085(2) Uani 1 1 d . . .
H5A H -0.0701 0.1691 0.6267 0.102 Uiso 1 1 calc R . .
C6A C 0.0224(3) 0.1566(4) 0.61459(19) 0.0785(19) Uani 1 1 d . . .
C7A C 0.0636(3) 0.2284(4) 0.62514(19) 0.0734(17) Uani 1 1 d . . .
C8A C 0.1846(3) 0.3140(4) 0.62744(18) 0.0714(17) Uani 1 1 d . . .
C9A C 0.1685(4) 0.3708(4) 0.6385(2) 0.086(2) Uani 1 1 d . . .
H9A H 0.1222 0.3662 0.6419 0.103 Uiso 1 1 calc R . .
C10A C 0.2207(4) 0.4353(4) 0.6448(2) 0.0810(19) Uani 1 1 d . . .
H10A H 0.2090 0.4729 0.6528 0.097 Uiso 1 1 calc R . .
C11A C 0.2878(3) 0.4433(3) 0.63933(19) 0.0709(16) Uani 1 1 d . . .
H11A H 0.3218 0.4867 0.6435 0.085 Uiso 1 1 calc R . .
C12A C 0.3077(3) 0.3880(3) 0.62758(16) 0.0624(15) Uani 1 1 d . . .
C13A C 0.2568(3) 0.3210(3) 0.62131(17) 0.0649(15) Uani 1 1 d . . .
C14A C 0.2777(3) 0.2666(3) 0.60933(16) 0.0659(16) Uani 1 1 d . . .
H14A H 0.2442 0.2231 0.6048 0.079 Uiso 1 1 calc R . .
C15A C 0.3454(3) 0.2758(3) 0.60412(18) 0.0689(16) Uani 1 1 d . . .
H15A H 0.3576 0.2385 0.5961 0.083 Uiso 1 1 calc R . .
C16A C 0.3985(3) 0.3417(3) 0.61074(17) 0.0646(15) Uani 1 1 d . . .
H16A H 0.4452 0.3470 0.6079 0.078 Uiso 1 1 calc R . .
C17A C 0.3800(3) 0.3969(3) 0.62129(15) 0.0584(14) Uani 1 1 d . . .
C18A C 0.4793(3) 0.4971(3) 0.60403(16) 0.0592(14) Uani 1 1 d . . .
C19A C 0.5231(3) 0.5676(3) 0.61614(16) 0.0610(15) Uani 1 1 d . . .
C20A C 0.5731(3) 0.6056(3) 0.59102(18) 0.0742(18) Uani 1 1 d . . .
H20A H 0.5792 0.5846 0.5686 0.089 Uiso 1 1 calc R . .
C21A C 0.6128(4) 0.6729(4) 0.5992(2) 0.101(3) Uani 1 1 d . . .
H21A H 0.6443 0.6978 0.5818 0.121 Uiso 1 1 calc R . .
C22A C 0.6066(4) 0.7044(4) 0.6328(2) 0.084(2) Uani 1 1 d . . .
H22A H 0.6353 0.7497 0.6383 0.101 Uiso 1 1 calc R . .
C23A C 0.5588(3) 0.6697(3) 0.65825(19) 0.0721(17) Uani 1 1 d . . .
C24A C 0.5165(3) 0.5995(3) 0.64992(17) 0.0637(15) Uani 1 1 d . . .
O1B O 0.1353(2) 0.1977(2) 0.95536(11) 0.0696(11) Uani 1 1 d . . .
O2B O 0.13964(19) 0.1679(2) 0.88353(10) 0.0627(10) Uani 1 1 d . . .
O3B O 0.0042(2) 0.2184(3) 0.80215(13) 0.0842(13) Uani 1 1 d . . .
O4B O 0.1543(3) -0.1255(3) 0.71578(16) 0.1071(18) Uani 1 1 d . . .
O5B O 0.1533(2) 0.0001(2) 0.62285(12) 0.0764(12) Uani 1 1 d . . .
O6B O 0.1380(3) -0.0502(3) 0.55274(13) 0.0875(14) Uani 1 1 d . . .
N1B N 0.0836(3) 0.1634(3) 0.81224(14) 0.0700(13) Uani 1 1 d . . .
H1B H 0.1138 0.1580 0.8287 0.084 Uiso 1 1 calc R . .
N2B N 0.1531(3) -0.0215(3) 0.69581(16) 0.0779(15) Uani 1 1 d . . .
H2B H 0.1516 0.0022 0.6759 0.093 Uiso 1 1 calc R . .
C1B C 0.0968(3) 0.2026(3) 0.89206(17) 0.0643(16) Uani 1 1 d . . .
C2B C 0.0938(3) 0.2177(4) 0.93009(19) 0.0728(17) Uani 1 1 d . . .
C3B C 0.0511(4) 0.2521(5) 0.9421(2) 0.096(2) Uani 1 1 d . . .
H3B H 0.0491 0.2608 0.9679 0.116 Uiso 1 1 calc R . .
C4B C 0.0104(4) 0.2738(5) 0.9152(2) 0.096(2) Uani 1 1 d . . .
H4B H -0.0162 0.3000 0.9227 0.115 Uiso 1 1 calc R . .
C5B C 0.0106(4) 0.2557(4) 0.87752(19) 0.084(2) Uani 1 1 d . . .
H5B H -0.0182 0.2682 0.8599 0.101 Uiso 1 1 calc R . .
C6B C 0.0519(3) 0.2197(3) 0.86486(17) 0.0677(16) Uani 1 1 d . . .
C7B C 0.0450(3) 0.2012(4) 0.82415(19) 0.0715(17) Uani 1 1 d . . .
C8B C 0.0805(3) 0.1321(4) 0.77635(17) 0.0719(17) Uani 1 1 d . . .
C9B C 0.0374(4) 0.1385(4) 0.7457(2) 0.086(2) Uani 1 1 d . . .
H9B H 0.0097 0.1657 0.7487 0.104 Uiso 1 1 calc R . .
C10B C 0.0345(4) 0.1063(4) 0.71140(19) 0.088(2) Uani 1 1 d . . .
H10B H 0.0054 0.1126 0.6916 0.106 Uiso 1 1 calc R . .
C11B C 0.0735(4) 0.0648(4) 0.70535(19) 0.084(2) Uani 1 1 d . . .
H11B H 0.0712 0.0438 0.6816 0.101 Uiso 1 1 calc R . .
C12B C 0.1180(3) 0.0537(4) 0.73598(18) 0.0729(17) Uani 1 1 d . . .
C13B C 0.1214(3) 0.0890(3) 0.77157(16) 0.0675(16) Uani 1 1 d . . .
C14B C 0.1676(3) 0.0796(3) 0.80128(18) 0.0673(16) Uani 1 1 d . . .
H14B H 0.1714 0.1019 0.8248 0.081 Uiso 1 1 calc R . .
C15B C 0.2057(4) 0.0382(4) 0.79521(19) 0.0805(19) Uani 1 1 d . . .
H15B H 0.2353 0.0328 0.8150 0.097 Uiso 1 1 calc R . .
C16B C 0.2028(4) 0.0037(4) 0.7609(2) 0.0811(19) Uani 1 1 d . . .
H16B H 0.2301 -0.0238 0.7575 0.097 Uiso 1 1 calc R . .
C17B C 0.1577(3) 0.0116(4) 0.73161(18) 0.0731(17) Uani 1 1 d . . .
C18B C 0.1507(4) -0.0877(4) 0.6904(2) 0.088(2) Uani 1 1 d . . .
C19B C 0.1452(4) -0.1111(4) 0.6494(2) 0.092(2) Uani 1 1 d . . .
C20B C 0.1390(6) -0.1789(4) 0.6422(3) 0.116(3) Uani 1 1 d . . .
H20B H 0.1407 -0.2079 0.6622 0.139 Uiso 1 1 calc R . .
C21B C 0.1300(7) -0.2037(5) 0.6042(3) 0.146(4) Uani 1 1 d . . .
H21B H 0.1244 -0.2498 0.5991 0.175 Uiso 1 1 calc R . .
C22B C 0.1295(6) -0.1612(5) 0.5748(3) 0.114(3) Uani 1 1 d . . .
H22B H 0.1232 -0.1790 0.5500 0.137 Uiso 1 1 calc R . .
C23B C 0.1382(4) -0.0924(4) 0.5808(2) 0.089(2) Uani 1 1 d . . .
C24B C 0.1460(3) -0.0663(4) 0.61870(19) 0.0744(18) Uani 1 1 d . . .
O1C O 0.4081(2) 0.6746(2) 0.68126(12) 0.0753(11) Uani 1 1 d . . .
O2C O 0.3719(2) 0.5754(2) 0.73073(11) 0.0653(10) Uani 1 1 d . . .
O3C O 0.1581(3) 0.4795(4) 0.7522(2) 0.134(3) Uani 1 1 d . . .
O4C O 0.4473(2) 0.4015(2) 0.94453(11) 0.0772(12) Uani 1 1 d . . .
O5C O 0.27149(19) 0.2228(2) 0.92626(10) 0.0626(10) Uani 1 1 d . . .
O6C O 0.2275(2) 0.1345(2) 0.98042(11) 0.0733(12) Uani 1 1 d . . .
N1C N 0.2696(3) 0.4953(3) 0.77319(14) 0.0728(14) Uani 1 1 d . . .
H1C H 0.3125 0.5154 0.7679 0.087 Uiso 1 1 calc R . .
N2C N 0.3553(2) 0.3425(2) 0.90471(13) 0.0653(13) Uani 1 1 d . . .
H2C H 0.3192 0.3054 0.9025 0.078 Uiso 1 1 calc R . .
C1C C 0.3218(3) 0.5908(3) 0.71270(17) 0.0646(15) Uani 1 1 d . . .
C2C C 0.3419(4) 0.6428(3) 0.68533(19) 0.0712(17) Uani 1 1 d . . .
C3C C 0.2894(4) 0.6595(3) 0.66406(19) 0.0743(17) Uani 1 1 d . . .
H3C H 0.3023 0.6931 0.6456 0.089 Uiso 1 1 calc R . .
C4C C 0.2197(4) 0.6271(4) 0.6700(2) 0.0828(19) Uani 1 1 d . . .
H4C H 0.1861 0.6378 0.6550 0.099 Uiso 1 1 calc R . .
C5C C 0.1998(4) 0.5788(4) 0.6979(2) 0.0817(19) Uani 1 1 d . . .
H5C H 0.1527 0.5582 0.7023 0.098 Uiso 1 1 calc R . .
C6C C 0.2500(3) 0.5605(4) 0.71966(19) 0.0735(17) Uani 1 1 d . . .
C7C C 0.2227(4) 0.5093(4) 0.7505(2) 0.0813(19) Uani 1 1 d . . .
C8C C 0.2591(3) 0.4527(3) 0.80447(19) 0.0728(17) Uani 1 1 d . . .
C9C C 0.1939(4) 0.4227(4) 0.8195(2) 0.094(2) Uani 1 1 d . . .
H9C H 0.1555 0.4318 0.8086 0.113 Uiso 1 1 calc R . .
C10C C 0.1849(4) 0.3800(4) 0.8501(2) 0.096(2) Uani 1 1 d . . .
H10C H 0.1402 0.3586 0.8584 0.116 Uiso 1 1 calc R . .
C11C C 0.2397(4) 0.3682(4) 0.8685(2) 0.0809(19) Uani 1 1 d . . .
H11C H 0.2322 0.3406 0.8898 0.097 Uiso 1 1 calc R . .
C12C C 0.3075(3) 0.3971(3) 0.85575(17) 0.0660(16) Uani 1 1 d . . .
C13C C 0.3188(3) 0.4409(3) 0.82264(17) 0.0638(15) Uani 1 1 d . . .
C14C C 0.3869(3) 0.4694(3) 0.81032(16) 0.0641(15) Uani 1 1 d . . .
H14C H 0.3949 0.4984 0.7895 0.077 Uiso 1 1 calc R . .
C15C C 0.4413(3) 0.4560(3) 0.82787(18) 0.0701(17) Uani 1 1 d . . .
H15C H 0.4858 0.4749 0.8187 0.084 Uiso 1 1 calc R . .
C16C C 0.4312(3) 0.4134(3) 0.86016(17) 0.0672(16) Uani 1 1 d . . .
H16C H 0.4687 0.4039 0.8719 0.081 Uiso 1 1 calc R . .
C17C C 0.3664(3) 0.3864(3) 0.87390(16) 0.0621(15) Uani 1 1 d . . .
C18C C 0.3946(3) 0.3510(3) 0.93799(16) 0.0650(15) Uani 1 1 d . . .
C19C C 0.3680(3) 0.2969(3) 0.96598(16) 0.0636(15) Uani 1 1 d . . .
C20C C 0.4040(4) 0.3046(3) 1.00257(18) 0.0779(19) Uani 1 1 d . . .
H20C H 0.4448 0.3421 1.0075 0.093 Uiso 1 1 calc R . .
C21C C 0.3803(4) 0.2592(4) 1.0295(2) 0.095(2) Uani 1 1 d . . .
H21C H 0.4040 0.2666 1.0533 0.114 Uiso 1 1 calc R . .
C22C C 0.3213(4) 0.2010(4) 1.0235(2) 0.089(2) Uani 1 1 d . . .
H22C H 0.3064 0.1702 1.0431 0.107 Uiso 1 1 calc R . .
C23C C 0.2845(3) 0.1882(3) 0.98884(17) 0.0718(17) Uani 1 1 d . . .
C24C C 0.3085(3) 0.2376(3) 0.95899(16) 0.0654(15) Uani 1 1 d . . .
O1D O 0.8110(2) 0.2295(2) 0.77293(15) 0.0790(12) Uani 1 1 d . . .
O2D O 0.6862(2) 0.2135(2) 0.79740(12) 0.0698(11) Uani 1 1 d . . .
O3D O 0.6683(4) 0.3108(4) 0.89986(18) 0.126(2) Uani 1 1 d . . .
O4D O 0.2844(4) -0.0845(4) 0.8680(2) 0.146(3) Uani 1 1 d . . .
O5D O 0.2220(2) 0.0820(2) 0.90273(11) 0.0686(11) Uani 1 1 d . . .
O6D O 0.1067(2) 0.0579(2) 0.93768(12) 0.0802(13) Uani 1 1 d . . .
N1D N 0.6113(3) 0.2328(3) 0.85214(17) 0.0780(15) Uani 1 1 d . . .
H1D H 0.6159 0.2147 0.8308 0.094 Uiso 1 1 calc R . .
N2D N 0.3133(3) 0.0336(3) 0.87466(15) 0.0791(15) Uani 1 1 d . . .
H2D H 0.2986 0.0657 0.8824 0.095 Uiso 1 1 calc R . .
C1D C 0.7417(3) 0.2552(3) 0.81801(19) 0.0714(17) Uani 1 1 d . . .
C2D C 0.8094(3) 0.2639(4) 0.8040(2) 0.0788(19) Uani 1 1 d . . .
C3D C 0.8672(4) 0.3054(5) 0.8236(3) 0.110(3) Uani 1 1 d . . .
H3D H 0.9108 0.3099 0.8149 0.132 Uiso 1 1 calc R . .
C4D C 0.8640(5) 0.3411(6) 0.8559(4) 0.139(4) Uani 1 1 d . . .
H4D H 0.9051 0.3706 0.8679 0.167 Uiso 1 1 calc R . .
C5D C 0.7996(5) 0.3338(5) 0.8713(3) 0.114(3) Uani 1 1 d . . .
H5D H 0.7974 0.3569 0.8938 0.137 Uiso 1 1 calc R . .
C6D C 0.7378(4) 0.2898(4) 0.8513(2) 0.0804(18) Uani 1 1 d . . .
C7D C 0.6703(4) 0.2787(5) 0.8699(2) 0.091(2) Uani 1 1 d . . .
C8D C 0.5450(4) 0.2133(4) 0.8656(2) 0.081(2) Uani 1 1 d . . .
C9D C 0.5228(6) 0.2553(4) 0.8870(4) 0.146(5) Uani 1 1 d . . .
H9D H 0.5527 0.3001 0.8928 0.175 Uiso 1 1 calc R . .
C10D C 0.4532(6) 0.2318(5) 0.9013(4) 0.158(5) Uani 1 1 d . . .
H10D H 0.4396 0.2617 0.9165 0.190 Uiso 1 1 calc R . .
C11D C 0.4069(5) 0.1665(4) 0.8930(3) 0.107(3) Uani 1 1 d . . .
H11D H 0.3628 0.1515 0.9029 0.128 Uiso 1 1 calc R . .
C12D C 0.4283(4) 0.1220(4) 0.86874(19) 0.0762(18) Uani 1 1 d . . .
C13D C 0.4970(4) 0.1448(4) 0.85493(19) 0.0754(18) Uani 1 1 d . . .
C14D C 0.5170(4) 0.0978(5) 0.8324(3) 0.105(3) Uani 1 1 d . . .
H14D H 0.5624 0.1105 0.8244 0.127 Uiso 1 1 calc R . .
C15D C 0.4711(5) 0.0358(6) 0.8226(3) 0.127(4) Uani 1 1 d . . .
H15D H 0.4841 0.0067 0.8065 0.153 Uiso 1 1 calc R . .
C16D C 0.4040(5) 0.0137(6) 0.8360(3) 0.119(3) Uani 1 1 d . . .
H16D H 0.3733 -0.0301 0.8288 0.143 Uiso 1 1 calc R . .
C17D C 0.3821(4) 0.0541(4) 0.8592(2) 0.085(2) Uani 1 1 d . . .
C18D C 0.2709(5) -0.0327(5) 0.8776(3) 0.103(3) Uani 1 1 d . . .
C19D C 0.2032(4) -0.0400(4) 0.8949(2) 0.093(2) Uani 1 1 d . . .
C20D C 0.1545(7) -0.1084(5) 0.8993(3) 0.147(5) Uani 1 1 d . . .
H20D H 0.1655 -0.1461 0.8907 0.176 Uiso 1 1 calc R . .
C21D C 0.0927(6) -0.1196(5) 0.9157(3) 0.137(4) Uani 1 1 d . . .
H21D H 0.0615 -0.1644 0.9178 0.164 Uiso 1 1 calc R . .
C22D C 0.0771(5) -0.0649(4) 0.9289(3) 0.118(3) Uani 1 1 d . . .
H22D H 0.0356 -0.0732 0.9410 0.141 Uiso 1 1 calc R . .
C23D C 0.1197(4) 0.0016(4) 0.9251(2) 0.086(2) Uani 1 1 d . . .
C24D C 0.1835(4) 0.0161(4) 0.90660(18) 0.0760(18) Uani 1 1 d . . .
O1E O 0.7343(2) 0.0972(2) 0.79077(14) 0.0832(13) Uani 1 1 d . . .
O2E O 0.6226(2) 0.0936(2) 0.74895(12) 0.0685(11) Uani 1 1 d . . .
O3E O 0.4544(3) -0.0944(3) 0.73164(17) 0.1065(18) Uani 1 1 d . . .
O4E O 0.4395(2) 0.1864(3) 0.53106(14) 0.0903(14) Uani 1 1 d . . .
O5E O 0.2362(2) 0.0889(2) 0.56871(11) 0.0696(11) Uani 1 1 d . . .
O6E O 0.1273(2) 0.0715(3) 0.52209(12) 0.0839(13) Uani 1 1 d . . .
N1E N 0.4979(3) 0.0202(3) 0.71839(16) 0.0733(14) Uani 1 1 d . . .
H1E H 0.5312 0.0585 0.7238 0.088 Uiso 1 1 calc R . .
N2E N 0.3747(2) 0.1216(3) 0.57790(14) 0.0685(13) Uani 1 1 d . . .
H2E H 0.3326 0.1009 0.5844 0.082 Uiso 1 1 calc R . .
C1E C 0.6196(4) 0.0337(3) 0.7648(2) 0.0750(18) Uani 1 1 d . . .
C2E C 0.6823(4) 0.0371(4) 0.7880(2) 0.083(2) Uani 1 1 d . . .
C3E C 0.6846(5) -0.0211(5) 0.8055(3) 0.107(3) Uani 1 1 d . . .
H3E H 0.7244 -0.0202 0.8199 0.129 Uiso 1 1 calc R . .
C4E C 0.6259(5) -0.0830(4) 0.8018(3) 0.117(3) Uani 1 1 d . . .
H4E H 0.6271 -0.1227 0.8139 0.140 Uiso 1 1 calc R . .
C5E C 0.5689(5) -0.0844(4) 0.7807(3) 0.117(3) Uani 1 1 d . . .
H5E H 0.5302 -0.1248 0.7799 0.140 Uiso 1 1 calc R . .
C6E C 0.5647(4) -0.0279(3) 0.7600(2) 0.0754(18) Uani 1 1 d . . .
C7E C 0.5027(4) -0.0365(3) 0.7353(2) 0.0732(17) Uani 1 1 d . . .
C8E C 0.4437(3) 0.0238(3) 0.69256(19) 0.0709(16) Uani 1 1 d . . .
C9E C 0.3751(4) -0.0139(4) 0.6961(3) 0.101(3) Uani 1 1 d . . .
H9E H 0.3628 -0.0429 0.7167 0.121 Uiso 1 1 calc R . .
C10E C 0.3240(4) -0.0107(5) 0.6708(3) 0.123(4) Uani 1 1 d . . .
H10E H 0.2780 -0.0383 0.6742 0.147 Uiso 1 1 calc R . .
C11E C 0.3384(4) 0.0317(4) 0.6405(2) 0.090(2) Uani 1 1 d . . .
H11E H 0.3024 0.0338 0.6238 0.108 Uiso 1 1 calc R . .
C12E C 0.4082(3) 0.0727(3) 0.63458(17) 0.0644(15) Uani 1 1 d . . .
C13E C 0.4622(3) 0.0696(3) 0.66175(18) 0.0673(16) Uani 1 1 d . . .
C14E C 0.5331(3) 0.1112(4) 0.6563(2) 0.088(2) Uani 1 1 d . . .
H14E H 0.5686 0.1091 0.6734 0.106 Uiso 1 1 calc R . .
C15E C 0.5483(4) 0.1536(5) 0.6264(3) 0.119(4) Uani 1 1 d . . .
H15E H 0.5947 0.1804 0.6232 0.143 Uiso 1 1 calc R . .
C16E C 0.4965(4) 0.1584(5) 0.6001(2) 0.106(3) Uani 1 1 d . . .
H16E H 0.5089 0.1889 0.5801 0.127 Uiso 1 1 calc R . .
C17E C 0.4273(3) 0.1185(3) 0.60351(19) 0.0727(17) Uani 1 1 d . . .
C18E C 0.3813(3) 0.1538(4) 0.54312(19) 0.0734(17) Uani 1 1 d . . .
C19E C 0.3165(3) 0.1450(3) 0.52026(17) 0.0649(15) Uani 1 1 d . . .
C20E C 0.3230(3) 0.1695(3) 0.48327(18) 0.0724(17) Uani 1 1 d . . .
H20E H 0.3673 0.1914 0.4744 0.087 Uiso 1 1 calc R . .
C21E C 0.2653(4) 0.1617(4) 0.45991(19) 0.0820(19) Uani 1 1 d . . .
H21E H 0.2713 0.1774 0.4351 0.098 Uiso 1 1 calc R . .
C22E C 0.1981(3) 0.1312(4) 0.4719(2) 0.0787(18) Uani 1 1 d . . .
H22E H 0.1598 0.1286 0.4558 0.094 Uiso 1 1 calc R . .
C23E C 0.1884(3) 0.1043(4) 0.50825(18) 0.0780(18) Uani 1 1 d . . .
C24E C 0.2496(3) 0.1137(4) 0.53460(18) 0.0702(16) Uani 1 1 d . . .
O1F O 0.7551(2) 0.1283(3) 0.71484(15) 0.0854(13) Uani 1 1 d . . .
O2F O 0.69816(19) 0.2257(2) 0.71674(12) 0.0634(10) Uani 1 1 d . . .
O3F O 0.6825(3) 0.3358(3) 0.61901(15) 0.0968(15) Uani 1 1 d . . .
O4F O 0.6441(3) 0.5677(2) 0.84385(14) 0.0802(12) Uani 1 1 d . . .
O5F O 0.5178(2) 0.6006(2) 0.75313(11) 0.0659(10) Uani 1 1 d . . .
O6F O 0.4752(2) 0.7078(2) 0.75519(13) 0.0748(11) Uani 1 1 d . . .
N1F N 0.6697(3) 0.3267(3) 0.68231(15) 0.0703(13) Uani 1 1 d . . .
H1F H 0.6732 0.3023 0.7016 0.084 Uiso 1 1 calc R . .
N2F N 0.5993(3) 0.5367(2) 0.78303(13) 0.0636(12) Uani 1 1 d . . .
H2F H 0.5739 0.5458 0.7650 0.076 Uiso 1 1 calc R . .
C1F C 0.7204(3) 0.2134(3) 0.68335(18) 0.0637(15) Uani 1 1 d . . .
C2F C 0.7512(3) 0.1610(3) 0.6813(2) 0.0755(18) Uani 1 1 d . . .
C3F C 0.7745(4) 0.1455(4) 0.6487(2) 0.085(2) Uani 1 1 d . . .
H3F H 0.7948 0.1113 0.6482 0.102 Uiso 1 1 calc R . .
C4F C 0.7681(4) 0.1811(4) 0.6150(2) 0.094(2) Uani 1 1 d . . .
H4F H 0.7826 0.1691 0.5922 0.113 Uiso 1 1 calc R . .
C5F C 0.7407(4) 0.2323(4) 0.6162(2) 0.0822(19) Uani 1 1 d . . .
H5F H 0.7368 0.2558 0.5941 0.099 Uiso 1 1 calc R . .
C6F C 0.7175(3) 0.2510(3) 0.65118(19) 0.0701(16) Uani 1 1 d . . .
C7F C 0.6888(3) 0.3070(4) 0.64949(19) 0.0720(17) Uani 1 1 d . . .
C8F C 0.6448(3) 0.3812(3) 0.68997(18) 0.0656(15) Uani 1 1 d . . .
C9F C 0.6169(5) 0.4100(5) 0.6629(2) 0.110(3) Uani 1 1 d . . .
H9F H 0.6113 0.3924 0.6381 0.131 Uiso 1 1 calc R . .
C10F C 0.5962(6) 0.4651(6) 0.6707(3) 0.127(4) Uani 1 1 d . . .
H10F H 0.5817 0.4872 0.6507 0.152 Uiso 1 1 calc R . .
C11F C 0.5961(4) 0.4889(4) 0.7078(2) 0.085(2) Uani 1 1 d . . .
H11F H 0.5787 0.5244 0.7127 0.102 Uiso 1 1 calc R . .
C12F C 0.6218(3) 0.4595(3) 0.73673(17) 0.0630(15) Uani 1 1 d . . .
C13F C 0.6477(3) 0.4035(3) 0.72869(17) 0.0604(14) Uani 1 1 d . . .
C14F C 0.6751(4) 0.3754(4) 0.75893(19) 0.0754(18) Uani 1 1 d . . .
H14F H 0.6942 0.3412 0.7540 0.090 Uiso 1 1 calc R . .
C15F C 0.6744(5) 0.3970(5) 0.7955(2) 0.108(3) Uani 1 1 d . . .
H15F H 0.6900 0.3752 0.8153 0.130 Uiso 1 1 calc R . .
C16F C 0.6503(5) 0.4524(4) 0.8040(2) 0.092(2) Uani 1 1 d . . .
H16F H 0.6522 0.4677 0.8290 0.110 Uiso 1 1 calc R . .
C17F C 0.6248(3) 0.4827(3) 0.77617(17) 0.0628(15) Uani 1 1 d . . .
C18F C 0.6113(4) 0.5770(3) 0.8165(2) 0.0711(17) Uani 1 1 d . . .
C19F C 0.5788(3) 0.6317(3) 0.81466(18) 0.0676(16) Uani 1 1 d . . .
C20F C 0.5941(4) 0.6775(3) 0.84599(18) 0.0741(17) Uani 1 1 d . . .
H20F H 0.6222 0.6713 0.8663 0.089 Uiso 1 1 calc R . .
C21F C 0.5693(4) 0.7305(4) 0.8476(2) 0.090(2) Uani 1 1 d . . .
H21F H 0.5794 0.7596 0.8690 0.108 Uiso 1 1 calc R . .
C22F C 0.5284(4) 0.7415(3) 0.81704(19) 0.083(2) Uani 1 1 d . . .
H22F H 0.5119 0.7784 0.8182 0.100 Uiso 1 1 calc R . .
C23F C 0.5121(4) 0.6986(3) 0.78503(19) 0.0715(17) Uani 1 1 d . . .
C24F C 0.5371(3) 0.6413(3) 0.78388(18) 0.0623(15) Uani 1 1 d . . .
C1G C 0.5707(4) 0.4526(5) 0.4975(2) 0.101(3) Uani 1 1 d . . .
H1G1 H 0.5541 0.4592 0.4723 0.152 Uiso 1 1 calc R . .
H1G2 H 0.6206 0.4644 0.4982 0.152 Uiso 1 1 calc R . .
H1G3 H 0.5587 0.4818 0.5152 0.152 Uiso 1 1 calc R . .
C2G C 0.4402(4) 0.3455(4) 0.51184(19) 0.0818(19) Uani 1 1 d . . .
H2G1 H 0.4211 0.3495 0.4868 0.123 Uiso 1 1 calc R . .
H2G2 H 0.4320 0.3782 0.5289 0.123 Uiso 1 1 calc R . .
H2G3 H 0.4182 0.2995 0.5207 0.123 Uiso 1 1 calc R . .
C3G C 0.5638(4) 0.3548(5) 0.55711(19) 0.094(2) Uani 1 1 d . . .
H3G1 H 0.6132 0.3639 0.5570 0.141 Uiso 1 1 calc R . .
H3G2 H 0.5410 0.3087 0.5657 0.141 Uiso 1 1 calc R . .
H3G3 H 0.5549 0.3874 0.5739 0.141 Uiso 1 1 calc R . .
P1G P 0.53060(9) 0.36271(11) 0.51016(5) 0.0810(5) Uani 1 1 d . . .
C4G C 0.5448(4) 0.3026(5) 0.4768(2) 0.094(2) Uani 1 1 d . . .
H4G1 H 0.5214 0.2560 0.4853 0.113 Uiso 1 1 calc R . .
H4G2 H 0.5232 0.3072 0.4523 0.113 Uiso 1 1 calc R . .
C5G C 0.6210(4) 0.3118(5) 0.4716(2) 0.102(3) Uani 1 1 d . . .
C6G C 0.6562(5) 0.3533(6) 0.4429(2) 0.108(3) Uani 1 1 d . . .
C7G C 0.7275(5) 0.3660(6) 0.4388(3) 0.125(4) Uani 1 1 d . . .
H7G H 0.7522 0.3968 0.4210 0.150 Uiso 1 1 calc R . .
C8G C 0.7608(6) 0.3296(7) 0.4633(3) 0.131(4) Uani 1 1 d . . .
C9G C 0.7253(5) 0.2876(6) 0.4884(2) 0.111(3) Uani 1 1 d . . .
H9G H 0.7483 0.2644 0.5036 0.133 Uiso 1 1 calc R . .
C10G C 0.6554(5) 0.2755(5) 0.4940(2) 0.103(3) Uani 1 1 d . . .
C11G C 0.6190(6) 0.2239(7) 0.5236(3) 0.133(4) Uani 1 1 d . . .
C12G C 0.6195(6) 0.3884(6) 0.4142(3) 0.134(4) Uani 1 1 d . . .
C13G C 0.8422(6) 0.3464(9) 0.4588(4) 0.167(5) Uani 1 1 d . . .
C1H C 0.6086(4) 0.4442(4) 0.9181(2) 0.086(2) Uani 1 1 d . . .
H1H1 H 0.6162 0.4529 0.8916 0.129 Uiso 1 1 calc R . .
H1H2 H 0.5630 0.4105 0.9207 0.129 Uiso 1 1 calc R . .
H1H3 H 0.6434 0.4270 0.9289 0.129 Uiso 1 1 calc R . .
C2H C 0.5484(4) 0.5515(4) 0.9222(2) 0.086(2) Uani 1 1 d . . .
H2H1 H 0.5561 0.5617 0.8959 0.129 Uiso 1 1 calc R . .
H2H2 H 0.5497 0.5926 0.9358 0.129 Uiso 1 1 calc R . .
H2H3 H 0.5035 0.5164 0.9243 0.129 Uiso 1 1 calc R . .
C3H C 0.5997(4) 0.5031(4) 0.9901(2) 0.086(2) Uani 1 1 d . . .
H3H1 H 0.6023 0.5446 1.0038 0.129 Uiso 1 1 calc R . .
H3H2 H 0.6346 0.4857 1.0007 0.129 Uiso 1 1 calc R . .
H3H3 H 0.5542 0.4690 0.9923 0.129 Uiso 1 1 calc R . .
P1H P 0.61431(9) 0.52167(9) 0.94184(5) 0.0771(5) Uani 1 1 d . . .
C4H C 0.6982(3) 0.5897(4) 0.9354(2) 0.089(2) Uani 1 1 d D . .
H4H1 H 0.7026 0.5977 0.9083 0.107 Uiso 1 1 calc R . .
H4H2 H 0.6969 0.6320 0.9471 0.107 Uiso 1 1 calc R . .
C5H C 0.7631(4) 0.5774(4) 0.9509(2) 0.097(2) Uani 1 1 d D . .
C6H C 0.7973(5) 0.5426(5) 0.9278(3) 0.123(3) Uani 1 1 d D . .
C7H C 0.8585(7) 0.5360(10) 0.9426(3) 0.190(7) Uani 1 1 d D . .
H7H H 0.8839 0.5163 0.9279 0.228 Uiso 1 1 calc R . .
C8H C 0.8822(9) 0.5591(11) 0.9798(6) 0.228(9) Uani 1 1 d D . .
C9H C 0.8468(7) 0.5878(8) 1.0021(4) 0.174(6) Uani 1 1 d D . .
H9H H 0.8625 0.5995 1.0274 0.209 Uiso 1 1 calc R . .
C10H C 0.7875(4) 0.5999(6) 0.9880(3) 0.120(3) Uani 1 1 d D . .
C11H C 0.7557(5) 0.6369(5) 1.0132(3) 0.121(3) Uani 1 1 d D . .
C12H C 0.7723(5) 0.5169(6) 0.8877(3) 0.122(3) Uani 1 1 d D . .
C13H C 0.9500(11) 0.5483(15) 0.9950(5) 0.333(17) Uani 1 1 d D . .
C1I C 0.3139(10) 0.7265(10) 0.7755(5) 0.376(19) Uani 1 1 d DU . .
H1I1 H 0.3633 0.7516 0.7763 0.564 Uiso 1 1 calc R . .
H1I2 H 0.3029 0.6881 0.7579 0.564 Uiso 1 1 calc R . .
H1I3 H 0.3006 0.7098 0.8004 0.564 Uiso 1 1 calc R . .
C2I C 0.2896(9) 0.8079(9) 0.7149(4) 0.260(10) Uani 1 1 d DU . .
H2I1 H 0.3390 0.8317 0.7141 0.390 Uiso 1 1 calc R . .
H2I2 H 0.2651 0.8387 0.7074 0.390 Uiso 1 1 calc R . .
H2I3 H 0.2758 0.7685 0.6977 0.390 Uiso 1 1 calc R . .
C3I C 0.2865(9) 0.8510(8) 0.7920(5) 0.38(2) Uani 1 1 d DU . .
H3I1 H 0.3359 0.8758 0.7941 0.569 Uiso 1 1 calc R . .
H3I2 H 0.2703 0.8354 0.8167 0.569 Uiso 1 1 calc R . .
H3I3 H 0.2627 0.8810 0.7823 0.569 Uiso 1 1 calc R . .
P1I P 0.2693(2) 0.78031(18) 0.76131(13) 0.1778(17) Uani 1 1 d GD . .
C4I C 0.1757(2) 0.7349(3) 0.75932(14) 0.136(4) Uani 1 1 d GD . .
H4I1 H 0.1530 0.7629 0.7456 0.163 Uiso 1 1 calc R . .
H4I2 H 0.1656 0.6920 0.7449 0.163 Uiso 1 1 calc R . .
C5I C 0.1446(3) 0.7187(3) 0.79694(18) 0.353(12) Uani 1 1 d GU . .
C6I C 0.1373(5) 0.6553(3) 0.8128(3) 0.363(12) Uani 1 1 d GU . .
C7I C 0.1119(6) 0.6380(5) 0.8492(3) 0.412(14) Uani 1 1 d GDU . .
H7I H 0.1108 0.5972 0.8609 0.495 Uiso 1 1 calc R . .
C8I C 0.0880(6) 0.6885(6) 0.8669(3) 0.402(15) Uani 1 1 d GU . .
C9I C 0.0928(5) 0.7480(6) 0.8523(3) 0.434(16) Uani 1 1 d GDU . .
H9I H 0.0785 0.7796 0.8656 0.521 Uiso 1 1 calc R . .
C10I C 0.1182(4) 0.7633(4) 0.8179(3) 0.377(14) Uani 1 1 d GU . .
C11I C 0.1222(5) 0.8343(5) 0.8005(4) 0.49(3) Uani 1 1 d G . .
C12I C 0.1566(7) 0.5968(2) 0.7924(4) 0.78(7) Uani 1 1 d G . .
C13I C 0.0626(8) 0.6703(9) 0.9121(3) 0.49(3) Uani 1 1 d GDU . .
C1J C 0.9090(5) 0.3295(7) 0.6490(3) 0.144(4) Uani 1 1 d D . .
H1J1 H 0.9425 0.3166 0.6353 0.216 Uiso 1 1 calc R . .
H1J2 H 0.9058 0.3719 0.6393 0.216 Uiso 1 1 calc R . .
H1J3 H 0.8641 0.2936 0.6458 0.216 Uiso 1 1 calc R . .
C2J C 0.9398(5) 0.2610(5) 0.7131(3) 0.115(3) Uani 1 1 d D . .
H2J1 H 0.9759 0.2509 0.7003 0.172 Uiso 1 1 calc R . .
H2J2 H 0.8957 0.2254 0.7070 0.172 Uiso 1 1 calc R . .
H2J3 H 0.9500 0.2629 0.7401 0.172 Uiso 1 1 calc R . .
C3J C 0.8702(6) 0.3627(6) 0.7204(4) 0.142(4) Uani 1 1 d D . .
H3J1 H 0.8697 0.4066 0.7115 0.213 Uiso 1 1 calc R . .
H3J2 H 0.8794 0.3655 0.7475 0.213 Uiso 1 1 calc R . .
H3J3 H 0.8256 0.3278 0.7142 0.213 Uiso 1 1 calc R . .
P1J P 0.93599(12) 0.34093(13) 0.69829(7) 0.1058(7) Uani 1 1 d GD . .
C4J C 1.01879(12) 0.41168(18) 0.70356(17) 0.166(5) Uani 1 1 d G . .
H4J1 H 1.0437 0.4051 0.7266 0.199 Uiso 1 1 calc R . .
H4J2 H 1.0466 0.4095 0.6823 0.199 Uiso 1 1 calc R . .
C5J C 1.0132(2) 0.48178(15) 0.7053(2) 0.216(7) Uani 1 1 d GU . .
C6J C 1.0161(4) 0.5185(2) 0.6723(3) 0.260(10) Uani 1 1 d GU . .
C7J C 1.0072(5) 0.5834(2) 0.6716(4) 0.295(12) Uani 1 1 d GU . .
H7J H 1.0050 0.6065 0.6491 0.353 Uiso 1 1 calc R . .
C8J C 1.0017(5) 0.61134(14) 0.7083(5) 0.327(13) Uani 1 1 d GU . .
C9J C 1.0004(5) 0.5787(3) 0.7402(4) 0.284(11) Uani 1 1 d GU . .
H9J H 0.9943 0.5985 0.7630 0.341 Uiso 1 1 calc R . .
C10J C 1.0078(4) 0.5166(3) 0.7397(3) 0.192(6) Uani 1 1 d GU . .
C11J C 1.0075(6) 0.4788(5) 0.7783(2) 0.276(12) Uani 1 1 d G . .
C12J C 1.0288(6) 0.4919(5) 0.6324(2) 0.35(2) Uani 1 1 d G . .
C13J C 0.9855(7) 0.68716(19) 0.7073(7) 0.64(4) Uani 1 1 d GU . .
P1L P 0.44928(10) 0.23169(10) 0.74519(6) 0.0854(5) Uani 1 1 d D B .
C2L C 0.5216(4) 0.2056(5) 0.7455(3) 0.111(3) Uiso 1 1 d D . .
H2L1 H 0.5290 0.1889 0.7702 0.166 Uiso 1 1 calc R . .
H2L2 H 0.5620 0.2441 0.7397 0.166 Uiso 1 1 calc R . .
H2L3 H 0.5139 0.1692 0.7268 0.166 Uiso 1 1 calc R . .
C3L C 0.4680(6) 0.2992(5) 0.7805(3) 0.138(4) Uiso 1 1 d D . .
H3L1 H 0.4296 0.3162 0.7809 0.208 Uiso 1 1 calc R . .
H3L2 H 0.5097 0.3363 0.7746 0.208 Uiso 1 1 calc R . .
H3L3 H 0.4749 0.2815 0.8050 0.208 Uiso 1 1 calc R . .
C4L C 0.3705(5) 0.1643(5) 0.7547(4) 0.148(4) Uiso 1 1 d D . .
H4L1 H 0.3616 0.1255 0.7371 0.177 Uiso 1 1 calc R A 1
H4L2 H 0.3724 0.1482 0.7805 0.177 Uiso 1 1 calc R A 1
C5L C 0.3096(3) 0.2008(4) 0.7490(2) 0.078(4) Uiso 0.429(8) 1 d PGD B 1
C6L C 0.2746(4) 0.1987(4) 0.7138(2) 0.091(6) Uiso 0.429(8) 1 d PGD B 1
C7L C 0.2236(4) 0.2295(4) 0.70975(16) 0.101(2) Uiso 0.429(8) 1 d PGD B 1
H7L H 0.2002 0.2281 0.6862 0.122 Uiso 0.429(8) 1 calc PR B 1
C8L C 0.2077(4) 0.2624(4) 0.7408(2) 0.098(6) Uiso 0.429(8) 1 d PGD B 1
C9L C 0.2427(4) 0.2645(5) 0.77592(17) 0.046(3) Uiso 0.429(8) 1 d PGD B 1
H9L H 0.2321 0.2865 0.7967 0.055 Uiso 0.429(8) 1 calc PR B 1
C10L C 0.2937(4) 0.2337(4) 0.78001(18) 0.091(5) Uiso 0.429(8) 1 d PGD B 1
C11L C 0.3198(6) 0.2262(6) 0.8225(3) 0.052(3) Uiso 0.429(8) 1 d PD B 1
C12L C 0.2795(5) 0.1487(5) 0.6814(3) 0.111(3) Uiso 0.429(8) 1 d PD B 1
C13L C 0.1566(5) 0.3048(5) 0.7333(3) 0.110(3) Uiso 0.429(8) 1 d PD B 1
C4M C 0.4295(6) 0.2622(7) 0.7009(3) 0.155(4) Uiso 1 1 d D . .
H4M1 H 0.4640 0.3064 0.6953 0.185 Uiso 1 1 calc R B 2
H4M2 H 0.4263 0.2293 0.6804 0.185 Uiso 1 1 calc R B 2
C5M C 0.3543(8) 0.2695(10) 0.7075(3) 0.126(6) Uiso 0.571(8) 1 d PD B 2
C6M C 0.2814(12) 0.2187(9) 0.7021(5) 0.144(7) Uiso 0.571(8) 1 d PD B 2
C7M C 0.2236(4) 0.2295(4) 0.70975(16) 0.101(2) Uiso 0.57 1 d PD B 2
H7M H 0.1810 0.1935 0.7073 0.122 Uiso 0.571(8) 1 calc PR B 2
C8M C 0.2263(8) 0.2944(10) 0.7215(5) 0.127(6) Uiso 0.571(8) 1 d PD B 2
C9M C 0.2923(6) 0.3517(6) 0.7281(3) 0.073(3) Uiso 0.571(8) 1 d PD B 2
H9M H 0.2918 0.3948 0.7359 0.088 Uiso 0.571(8) 1 calc PR B 2
C10M C 0.3535(8) 0.3430(8) 0.7231(5) 0.114(5) Uiso 0.571(8) 1 d PD B 2
C11M C 0.4233(5) 0.4072(5) 0.7219(3) 0.067(3) Uiso 0.571(8) 1 d PD B 2
C12M C 0.2795(5) 0.1487(5) 0.6814(3) 0.111(3) Uiso 0.57 1 d PD B 2
C13M C 0.1566(5) 0.3048(5) 0.7333(3) 0.110(3) Uiso 0.57 1 d PD B 2
O1N O 0.9341(4) 0.0562(4) 0.8384(2) 0.122(2) Uani 1 1 d D . .
N1N N 0.9786(5) -0.0233(5) 0.8171(3) 0.133(3) Uani 1 1 d D . .
C1N C 0.9769(8) 0.0225(8) 0.8425(5) 0.181(6) Uani 1 1 d D . .
H1N H 1.0073 0.0311 0.8639 0.218 Uiso 1 1 calc R . .
C2N C 1.0276(9) -0.0569(9) 0.8232(8) 0.270(12) Uani 1 1 d D . .
C3N C 0.9355(8) -0.0290(9) 0.7832(5) 0.200(7) Uani 1 1 d D . .
O1O O 0.8378(6) 0.0583(7) 0.7346(3) 0.194(4) Uani 1 1 d D . .
C1O C 0.8504(12) 0.0202(12) 0.7041(5) 0.258(10) Uani 1 1 d D . .
O1P O 0.0852(4) 0.1590(4) 1.02081(17) 0.125(2) Uani 1 1 d D . .
C1P C 0.0903(10) 0.2161(6) 1.0447(4) 0.201(8) Uani 1 1 d D . .
O1Q O 0.6353(12) 0.8871(11) 0.6745(6) 0.200(8) Uiso 0.50 1 d PD . .
C1Q C 0.6508(13) 0.9330(12) 0.6440(6) 0.141(7) Uiso 0.50 1 d PD . .
O1R O -0.0118(3) 0.0582(3) 0.96667(16) 0.1099(18) Uani 1 1 d . . .
O1S O 0.8125(7) 0.1230(9) 0.8753(3) 0.267(7) Uani 1 1 d . . .
O1T O 0.1524(8) -0.0852(8) 1.0270(3) 0.262(7) Uani 1 1 d . . .
O1U O 0.1600(7) 0.0471(7) 1.0911(3) 0.266(8) Uani 1 1 d . . .
O1V O 0.6116(16) 0.8119(18) 0.7324(9) 0.153(10) Uiso 0.25 1 d PD . .
O1W O 0.430(4) 0.844(4) 0.6421(18) 0.31(3) Uiso 0.25 1 d PD . .
O1X O 0.480(3) 0.764(2) 0.6277(10) 0.212(17) Uiso 0.25 1 d PD . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.3868 1.0657 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga -1.2846 0.7763 '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
O6C K1 O1R 163.74(18) . 2_557
O6C K1 O1U 111.6(3) . .
O1R K1 O1U 84.6(3) 2_557 .
O6C K1 O1P 79.28(17) . .
O1R K1 O1P 101.3(2) 2_557 .
O1U K1 O1P 93.2(4) . .
O6C K1 O6D 61.31(13) . .
O1R K1 O6D 102.53(17) 2_557 .
O1U K1 O6D 172.2(3) . .
O1P K1 O6D 82.35(18) . .
O6C K1 O1T 112.9(3) . .
O1R K1 O1T 68.5(3) 2_557 .
O1U K1 O1T 77.9(4) . .
O1P K1 O1T 166.9(2) . .
O6D K1 O1T 107.5(3) . .
O6C K1 O1R 98.57(14) . .
O1R K1 O1R 69.4(2) 2_557 .
O1U K1 O1R 131.9(4) . .
O1P K1 O1R 55.77(19) . .
O6D K1 O1R 49.96(14) . .
O1T K1 O1R 124.0(4) . .
O6C K1 K1 127.86(13) . 2_557
O1R K1 K1 39.43(14) 2_557 2_557
O1U K1 K1 113.8(3) . 2_557
O1P K1 K1 73.94(16) . 2_557
O6D K1 K1 71.30(10) . 2_557
O1T K1 K1 100.6(4) . 2_557
O1R K1 K1 30.00(9) . 2_557
O1V K2 O1X 117.9(14) . .
O1V K2 O1W 151.4(19) . .
O1X K2 O1W 52(2) . .
O1V K2 O1C 114.9(8) . .
O1X K2 O1C 61.8(11) . .
O1W K2 O1C 84.9(17) . .
O1V K2 O6A 60.1(8) . .
O1X K2 O6A 72.0(11) . .
O1W K2 O6A 123.2(18) . .
O1C K2 O6A 59.83(14) . .
O1V K2 O3E 107.2(8) . 1_565
O1X K2 O3E 127.7(11) . 1_565
O1W K2 O3E 76.0(18) . 1_565
O1C K2 O3E 120.98(18) . 1_565
O6A K2 O3E 159.49(18) . 1_565
O1V K2 O6F 69.1(8) . .
O1X K2 O6F 118.6(11) . .
O1W K2 O6F 139.1(17) . .
O1C K2 O6F 61.57(13) . .
O6A K2 O6F 60.63(14) . .
O3E K2 O6F 100.67(17) 1_565 .
O1V K2 O1Q 55.7(9) . .
O1X K2 O1Q 83.4(12) . .
O1W K2 O1Q 95.7(18) . .
O1C K2 O1Q 134.9(5) . .
O6A K2 O1Q 83.7(5) . .
O3E K2 O1Q 102.6(5) 1_565 .
O6F K2 O1Q 124.2(5) . .
O1V K2 C7E 93.7(8) . 1_565
O1X K2 C7E 128.6(11) . 1_565
O1W K2 C7E 80.7(17) . 1_565
O1C K2 C7E 140.72(18) . 1_565
O6A K2 C7E 153.65(19) . 1_565
O3E K2 C7E 19.78(16) 1_565 1_565
O6F K2 C7E 109.94(16) . 1_565
O1Q K2 C7E 83.0(5) . 1_565
O1E K3 O3B 158.26(17) . 1_655
O1E K3 O1N 122.79(19) . .
O3B K3 O1N 78.56(18) 1_655 .
O1E K3 O1O 75.0(2) . .
O3B K3 O1O 108.9(3) 1_655 .
O1N K3 O1O 96.6(3) . .
O1E K3 O1D 61.08(14) . .
O3B K3 O1D 97.20(16) 1_655 .
O1N K3 O1D 170.5(2) . .
O1O K3 O1D 92.8(2) . .
O1E K3 O1S 72.6(3) . .
O3B K3 O1S 112.2(3) 1_655 .
O1N K3 O1S 77.4(4) . .
O1O K3 O1S 136.2(4) . .
O1D K3 O1S 96.7(4) . .
O1E K3 C7B 171.5(2) . 1_655
O3B K3 C7B 19.24(15) 1_655 1_655
O1N K3 C7B 59.89(19) . 1_655
O1O K3 C7B 113.1(2) . 1_655
O1D K3 C7B 114.95(17) . 1_655
O1S K3 C7B 101.2(3) . 1_655
O5C Ga1 O1B 94.81(17) . .
O5C Ga1 O5D 92.17(17) . .
O1B Ga1 O5D 172.34(16) . .
O5C Ga1 O6D 171.4(2) . .
O1B Ga1 O6D 90.53(19) . .
O5D Ga1 O6D 82.91(19) . .
O5C Ga1 O6C 83.31(15) . .
O1B Ga1 O6C 88.30(19) . .
O5D Ga1 O6C 95.64(19) . .
O6D Ga1 O6C 90.16(18) . .
O5C Ga1 O2B 93.63(16) . .
O1B Ga1 O2B 82.76(18) . .
O5D Ga1 O2B 93.68(18) . .
O6D Ga1 O2B 93.69(18) . .
O6C Ga1 O2B 170.29(19) . .
O5F Ga2 O1C 174.54(18) . .
O5F Ga2 O5A 91.44(17) . .
O1C Ga2 O5A 93.61(18) . .
O5F Ga2 O6A 94.60(18) . .
O1C Ga2 O6A 88.08(19) . .
O5A Ga2 O6A 83.29(18) . .
O5F Ga2 O2C 94.61(16) . .
O1C Ga2 O2C 83.02(18) . .
O5A Ga2 O2C 93.14(17) . .
O6A Ga2 O2C 170.20(18) . .
O5F Ga2 O6F 83.33(18) . .
O1C Ga2 O6F 91.92(19) . .
O5A Ga2 O6F 171.21(18) . .
O6A Ga2 O6F 90.08(19) . .
O2C Ga2 O6F 94.31(18) . .
O1E Ga3 O1F 89.8(2) . .
O1E Ga3 O1D 88.15(19) . .
O1F Ga3 O1D 91.2(2) . .
O1E Ga3 O2D 94.6(2) . .
O1F Ga3 O2D 173.37(19) . .
O1D Ga3 O2D 83.96(19) . .
O1E Ga3 O2F 172.3(2) . .
O1F Ga3 O2F 83.46(18) . .
O1D Ga3 O2F 95.72(18) . .
O2D Ga3 O2F 92.47(17) . .
O1E Ga3 O2E 83.41(18) . .
O1F Ga3 O2E 92.9(2) . .
O1D Ga3 O2E 170.58(18) . .
O2D Ga3 O2E 92.53(18) . .
O2F Ga3 O2E 93.15(16) . .
O6E Ga4 O5B 172.0(2) . .
O6E Ga4 O5E 83.31(18) . .
O5B Ga4 O5E 92.33(18) . .
O6E Ga4 O1A 90.5(2) . .
O5B Ga4 O1A 94.2(2) . .
O5E Ga4 O1A 172.8(2) . .
O6E Ga4 O2A 93.5(2) . .
O5B Ga4 O2A 93.46(19) . .
O5E Ga4 O2A 94.13(17) . .
O1A Ga4 O2A 82.43(19) . .
O6E Ga4 O6B 90.2(2) . .
O5B Ga4 O6B 83.5(2) . .
O5E Ga4 O6B 94.8(2) . .
O1A Ga4 O6B 89.0(2) . .
O2A Ga4 O6B 170.70(18) . .
C2A O1A Ga4 112.6(4) . .
C1A O2A Ga4 111.9(4) . .
C24A O5A Ga2 111.3(4) . .
C23A O6A Ga2 110.8(4) . .
C23A O6A K2 125.3(4) . .
Ga2 O6A K2 90.01(18) . .
C7A N1A C8A 127.0(6) . .
C7A N1A H1A 116.5 . .
C8A N1A H1A 116.5 . .
C18A N2A C17A 124.9(5) . .
C18A N2A H2A 117.6 . .
C17A N2A H2A 117.6 . .
O2A C1A C6A 124.1(5) . .
O2A C1A C2A 115.7(6) . .
C6A C1A C2A 120.0(6) . .
O1A C2A C3A 122.7(6) . .
O1A C2A C1A 117.3(6) . .
C3A C2A C1A 120.0(7) . .
C2A C3A C4A 119.7(7) . .
C2A C3A H3A 120.1 . .
C4A C3A H3A 120.1 . .
C5A C4A C3A 121.0(6) . .
C5A C4A H4A 119.5 . .
C3A C4A H4A 119.5 . .
C4A C5A C6A 120.3(7) . .
C4A C5A H5A 119.8 . .
C6A C5A H5A 119.8 . .
C1A C6A C5A 118.7(6) . .
C1A C6A C7A 125.1(6) . .
C5A C6A C7A 116.2(7) . .
O3A C7A N1A 121.9(6) . .
O3A C7A C6A 122.0(6) . .
N1A C7A C6A 116.1(6) . .
C9A C8A N1A 123.7(6) . .
C9A C8A C13A 119.9(6) . .
N1A C8A C13A 116.4(6) . .
C8A C9A C10A 121.1(6) . .
C8A C9A H9A 119.5 . .
C10A C9A H9A 119.5 . .
C11A C10A C9A 120.3(7) . .
C11A C10A H10A 119.9 . .
C9A C10A H10A 119.9 . .
C10A C11A C12A 121.7(6) . .
C10A C11A H11A 119.2 . .
C12A C11A H11A 119.2 . .
C11A C12A C13A 120.3(5) . .
C11A C12A C17A 121.6(5) . .
C13A C12A C17A 118.1(6) . .
C14A C13A C12A 119.4(5) . .
C14A C13A C8A 123.8(5) . .
C12A C13A C8A 116.7(6) . .
C15A C14A C13A 121.5(6) . .
C15A C14A H14A 119.2 . .
C13A C14A H14A 119.2 . .
C14A C15A C16A 121.1(6) . .
C14A C15A H15A 119.4 . .
C16A C15A H15A 119.4 . .
C17A C16A C15A 119.2(6) . .
C17A C16A H16A 120.4 . .
C15A C16A H16A 120.4 . .
C16A C17A N2A 122.2(5) . .
C16A C17A C12A 120.6(5) . .
N2A C17A C12A 117.2(5) . .
O4A C18A N2A 121.9(5) . .
O4A C18A C19A 122.8(5) . .
N2A C18A C19A 115.3(5) . .
C24A C19A C20A 118.5(6) . .
C24A C19A C18A 124.2(5) . .
C20A C19A C18A 117.2(6) . .
C21A C20A C19A 120.8(7) . .
C21A C20A H20A 119.6 . .
C19A C20A H20A 119.6 . .
C20A C21A C22A 120.7(6) . .
C20A C21A H21A 119.7 . .
C22A C21A H21A 119.7 . .
C23A C22A C21A 120.9(6) . .
C23A C22A H22A 119.6 . .
C21A C22A H22A 119.6 . .
O6A C23A C22A 124.1(6) . .
O6A C23A C24A 117.0(5) . .
C22A C23A C24A 118.9(6) . .
O5A C24A C19A 124.0(5) . .
O5A C24A C23A 115.8(6) . .
C19A C24A C23A 120.2(5) . .
C2B O1B Ga1 111.5(4) . .
C1B O2B Ga1 111.4(3) . .
C7B O3B K3 115.3(4) . 1_455
C24B O5B Ga4 110.9(4) . .
C23B O6B Ga4 109.4(4) . .
C7B N1B C8B 128.1(6) . .
C7B N1B H1B 116.0 . .
C8B N1B H1B 116.0 . .
C18B N2B C17B 125.1(6) . .
C18B N2B H2B 117.4 . .
C17B N2B H2B 117.4 . .
O2B C1B C2B 116.8(6) . .
O2B C1B C6B 123.9(5) . .
C2B C1B C6B 119.2(6) . .
O1B C2B C3B 120.9(6) . .
O1B C2B C1B 117.3(6) . .
C3B C2B C1B 121.8(7) . .
C2B C3B C4B 119.4(7) . .
C2B C3B H3B 120.3 . .
C4B C3B H3B 120.3 . .
C5B C4B C3B 118.8(7) . .
C5B C4B H4B 120.6 . .
C3B C4B H4B 120.6 . .
C4B C5B C6B 122.6(7) . .
C4B C5B H5B 118.7 . .
C6B C5B H5B 118.7 . .
C5B C6B C1B 117.9(6) . .
C5B C6B C7B 117.1(6) . .
C1B C6B C7B 125.0(6) . .
O3B C7B N1B 122.5(6) . .
O3B C7B C6B 120.8(6) . .
N1B C7B C6B 116.7(6) . .
O3B C7B K3 45.4(3) . 1_455
N1B C7B K3 116.1(4) . 1_455
C6B C7B K3 106.2(4) . 1_455
C9B C8B N1B 123.7(7) . .
C9B C8B C13B 118.2(6) . .
N1B C8B C13B 118.0(6) . .
C10B C9B C8B 122.3(7) . .
C10B C9B H9B 118.8 . .
C8B C9B H9B 118.8 . .
C9B C10B C11B 121.5(7) . .
C9B C10B H10B 119.2 . .
C11B C10B H10B 119.2 . .
C10B C11B C12B 119.7(6) . .
C10B C11B H11B 120.1 . .
C12B C11B H11B 120.1 . .
C17B C12B C13B 119.9(6) . .
C17B C12B C11B 122.2(6) . .
C13B C12B C11B 117.9(7) . .
C8B C13B C14B 122.4(6) . .
C8B C13B C12B 120.3(6) . .
C14B C13B C12B 117.4(6) . .
C15B C14B C13B 120.1(6) . .
C15B C14B H14B 120.0 . .
C13B C14B H14B 120.0 . .
C14B C15B C16B 123.0(7) . .
C14B C15B H15B 118.5 . .
C16B C15B H15B 118.5 . .
C15B C16B C17B 118.1(7) . .
C15B C16B H16B 121.0 . .
C17B C16B H16B 121.0 . .
C12B C17B C16B 121.5(6) . .
C12B C17B N2B 117.6(6) . .
C16B C17B N2B 120.8(6) . .
O4B C18B N2B 123.9(7) . .
O4B C18B C19B 121.1(8) . .
N2B C18B C19B 115.0(7) . .
C20B C19B C24B 120.1(7) . .
C20B C19B C18B 117.3(8) . .
C24B C19B C18B 122.6(7) . .
C19B C20B C21B 118.9(9) . .
C19B C20B H20B 120.5 . .
C21B C20B H20B 120.5 . .
C22B C21B C20B 120.9(9) . .
C22B C21B H21B 119.5 . .
C20B C21B H21B 119.5 . .
C21B C22B C23B 121.7(9) . .
C21B C22B H22B 119.2 . .
C23B C22B H22B 119.2 . .
O6B C23B C22B 122.7(7) . .
O6B C23B C24B 118.6(7) . .
C22B C23B C24B 118.7(8) . .
O5B C24B C23B 116.1(7) . .
O5B C24B C19B 124.3(6) . .
C23B C24B C19B 119.6(7) . .
C2C O1C Ga2 110.6(4) . .
C2C O1C K2 134.7(4) . .
Ga2 O1C K2 90.26(17) . .
C1C O2C Ga2 111.0(3) . .
C24C O5C Ga1 111.8(3) . .
C23C O6C Ga1 111.3(3) . .
C23C O6C K1 138.1(4) . .
Ga1 O6C K1 105.85(17) . .
C7C N1C C8C 128.9(6) . .
C7C N1C H1C 115.6 . .
C8C N1C H1C 115.6 . .
C18C N2C C17C 127.9(5) . .
C18C N2C H2C 116.0 . .
C17C N2C H2C 116.0 . .
O2C C1C C2C 116.7(5) . .
O2C C1C C6C 124.5(5) . .
C2C C1C C6C 118.8(6) . .
O1C C2C C1C 118.6(6) . .
O1C C2C C3C 122.5(6) . .
C1C C2C C3C 118.8(6) . .
C4C C3C C2C 121.5(6) . .
C4C C3C H3C 119.3 . .
C2C C3C H3C 119.3 . .
C5C C4C C3C 120.1(6) . .
C5C C4C H4C 120.0 . .
C3C C4C H4C 120.0 . .
C4C C5C C6C 120.5(7) . .
C4C C5C H5C 119.8 . .
C6C C5C H5C 119.8 . .
C5C C6C C1C 120.2(6) . .
C5C C6C C7C 116.1(6) . .
C1C C6C C7C 123.7(6) . .
O3C C7C N1C 123.4(6) . .
O3C C7C C6C 119.5(6) . .
N1C C7C C6C 117.0(6) . .
N1C C8C C9C 122.9(6) . .
N1C C8C C13C 118.2(5) . .
C9C C8C C13C 118.9(6) . .
C10C C9C C8C 121.5(7) . .
C10C C9C H9C 119.2 . .
C8C C9C H9C 119.2 . .
C11C C10C C9C 121.7(6) . .
C11C C10C H10C 119.2 . .
C9C C10C H10C 119.2 . .
C10C C11C C12C 120.8(6) . .
C10C C11C H11C 119.6 . .
C12C C11C H11C 119.6 . .
C11C C12C C17C 123.1(6) . .
C11C C12C C13C 119.2(6) . .
C17C C12C C13C 117.7(5) . .
C14C C13C C8C 123.7(5) . .
C14C C13C C12C 118.5(6) . .
C8C C13C C12C 117.8(5) . .
C15C C14C C13C 121.7(5) . .
C15C C14C H14C 119.2 . .
C13C C14C H14C 119.2 . .
C14C C15C C16C 120.5(6) . .
C14C C15C H15C 119.7 . .
C16C C15C H15C 119.7 . .
C17C C16C C15C 119.8(6) . .
C17C C16C H16C 120.1 . .
C15C C16C H16C 120.1 . .
C16C C17C N2C 120.3(6) . .
C16C C17C C12C 121.7(5) . .
N2C C17C C12C 117.8(5) . .
O4C C18C N2C 122.2(5) . .
O4C C18C C19C 122.3(5) . .
N2C C18C C19C 115.5(5) . .
C24C C19C C20C 117.7(5) . .
C24C C19C C18C 123.6(5) . .
C20C C19C C18C 118.7(5) . .
C21C C20C C19C 121.2(6) . .
C21C C20C H20C 119.4 . .
C19C C20C H20C 119.4 . .
C20C C21C C22C 122.1(7) . .
C20C C21C H21C 119.0 . .
C22C C21C H21C 119.0 . .
C23C C22C C21C 120.9(6) . .
C23C C22C H22C 119.6 . .
C21C C22C H22C 119.6 . .
O6C C23C C22C 125.3(5) . .
O6C C23C C24C 116.4(5) . .
C22C C23C C24C 118.3(6) . .
O5C C24C C19C 124.3(5) . .
O5C C24C C23C 116.0(5) . .
C19C C24C C23C 119.8(5) . .
C2D O1D Ga3 111.2(4) . .
C2D O1D K3 101.2(4) . .
Ga3 O1D K3 99.19(19) . .
C1D O2D Ga3 110.0(4) . .
C24D O5D Ga1 111.7(4) . .
C23D O6D Ga1 112.2(4) . .
C23D O6D K1 98.8(4) . .
Ga1 O6D K1 99.39(18) . .
C7D N1D C8D 125.4(7) . .
C7D N1D H1D 117.3 . .
C8D N1D H1D 117.3 . .
C18D N2D C17D 124.1(7) . .
C18D N2D H2D 117.9 . .
C17D N2D H2D 117.9 . .
O2D C1D C6D 124.4(6) . .
O2D C1D C2D 116.6(6) . .
C6D C1D C2D 119.0(7) . .
O1D C2D C3D 123.7(7) . .
O1D C2D C1D 117.2(6) . .
C3D C2D C1D 119.1(8) . .
C2D C3D C4D 122.4(9) . .
C2D C3D H3D 118.8 . .
C4D C3D H3D 118.8 . .
C3D C4D C5D 121.1(9) . .
C3D C4D H4D 119.5 . .
C5D C4D H4D 119.5 . .
C4D C5D C6D 117.6(9) . .
C4D C5D H5D 121.2 . .
C6D C5D H5D 121.2 . .
C1D C6D C5D 120.7(7) . .
C1D C6D C7D 122.7(7) . .
C5D C6D C7D 116.4(8) . .
O3D C7D N1D 122.0(8) . .
O3D C7D C6D 121.3(8) . .
N1D C7D C6D 116.7(7) . .
C9D C8D N1D 123.2(8) . .
C9D C8D C13D 119.2(7) . .
N1D C8D C13D 117.6(6) . .
C8D C9D C10D 121.2(9) . .
C8D C9D H9D 119.4 . .
C10D C9D H9D 119.4 . .
C11D C10D C9D 121.5(8) . .
C11D C10D H10D 119.2 . .
C9D C10D H10D 119.2 . .
C10D C11D C12D 118.2(7) . .
C10D C11D H11D 120.9 . .
C12D C11D H11D 120.9 . .
C17D C12D C13D 119.4(6) . .
C17D C12D C11D 120.2(6) . .
C13D C12D C11D 120.3(7) . .
C14D C13D C12D 118.3(7) . .
C14D C13D C8D 122.2(6) . .
C12D C13D C8D 119.5(6) . .
C15D C14D C13D 120.5(8) . .
C15D C14D H14D 119.8 . .
C13D C14D H14D 119.8 . .
C14D C15D C16D 121.0(9) . .
C14D C15D H15D 119.5 . .
C16D C15D H15D 119.5 . .
C17D C16D C15D 122.1(9) . .
C17D C16D H16D 119.0 . .
C15D C16D H16D 119.0 . .
C16D C17D C12D 118.5(7) . .
C16D C17D N2D 124.6(7) . .
C12D C17D N2D 116.8(7) . .
O4D C18D N2D 125.8(9) . .
O4D C18D C19D 120.6(8) . .
N2D C18D C19D 113.6(8) . .
C24D C19D C20D 117.7(8) . .
C24D C19D C18D 124.4(7) . .
C20D C19D C18D 117.9(8) . .
C21D C20D C19D 121.7(10) . .
C21D C20D H20D 119.2 . .
C19D C20D H20D 119.2 . .
C22D C21D C20D 119.3(8) . .
C22D C21D H21D 120.3 . .
C20D C21D H21D 120.3 . .
C21D C22D C23D 122.6(9) . .
C21D C22D H22D 118.7 . .
C23D C22D H22D 118.7 . .
O6D C23D C22D 124.9(8) . .
O6D C23D C24D 114.9(6) . .
C22D C23D C24D 120.2(8) . .
O5D C24D C19D 124.0(6) . .
O5D C24D C23D 117.6(7) . .
C19D C24D C23D 118.3(6) . .
C2E O1E Ga3 111.7(4) . .
C2E O1E K3 135.0(4) . .
Ga3 O1E K3 105.53(18) . .
C1E O2E Ga3 112.0(4) . .
C7E O3E K2 111.8(5) . 1_545
C24E O5E Ga4 112.4(4) . .
C23E O6E Ga4 112.6(4) . .
C7E N1E C8E 127.0(6) . .
C7E N1E H1E 116.5 . .
C8E N1E H1E 116.5 . .
C17E N2E C18E 128.2(5) . .
C17E N2E H2E 115.9 . .
C18E N2E H2E 115.9 . .
O2E C1E C6E 125.6(6) . .
O2E C1E C2E 114.1(6) . .
C6E C1E C2E 120.3(6) . .
O1E C2E C3E 123.4(7) . .
O1E C2E C1E 117.8(5) . .
C3E C2E C1E 118.8(7) . .
C2E C3E C4E 119.8(8) . .
C2E C3E H3E 120.1 . .
C4E C3E H3E 120.1 . .
C5E C4E C3E 120.0(8) . .
C5E C4E H4E 120.0 . .
C3E C4E H4E 120.0 . .
C4E C5E C6E 123.2(8) . .
C4E C5E H5E 118.4 . .
C6E C5E H5E 118.4 . .
C1E C6E C5E 117.5(7) . .
C1E C6E C7E 123.5(6) . .
C5E C6E C7E 119.0(6) . .
O3E C7E N1E 121.9(6) . .
O3E C7E C6E 120.7(6) . .
N1E C7E C6E 117.3(6) . .
O3E C7E K2 48.4(4) . 1_545
N1E C7E K2 131.3(5) . 1_545
C6E C7E K2 93.5(4) . 1_545
C9E C8E N1E 123.3(6) . .
C9E C8E C13E 118.7(6) . .
N1E C8E C13E 118.0(5) . .
C10E C9E C8E 122.5(7) . .
C10E C9E H9E 118.8 . .
C8E C9E H9E 118.8 . .
C9E C10E C11E 121.7(7) . .
C9E C10E H10E 119.1 . .
C11E C10E H10E 119.1 . .
C10E C11E C12E 119.6(7) . .
C10E C11E H11E 120.2 . .
C12E C11E H11E 120.2 . .
C11E C12E C17E 122.8(6) . .
C11E C12E C13E 118.5(6) . .
C17E C12E C13E 118.7(5) . .
C8E C13E C14E 121.9(6) . .
C8E C13E C12E 118.9(5) . .
C14E C13E C12E 119.2(6) . .
C15E C14E C13E 119.8(6) . .
C15E C14E H14E 120.1 . .
C13E C14E H14E 120.1 . .
C14E C15E C16E 122.0(6) . .
C14E C15E H15E 119.0 . .
C16E C15E H15E 119.0 . .
C17E C16E C15E 120.7(7) . .
C17E C16E H16E 119.6 . .
C15E C16E H16E 119.6 . .
C16E C17E N2E 122.4(6) . .
C16E C17E C12E 119.6(6) . .
N2E C17E C12E 118.0(5) . .
O4E C18E N2E 121.7(6) . .
O4E C18E C19E 121.3(6) . .
N2E C18E C19E 117.0(5) . .
C20E C19E C24E 120.4(6) . .
C20E C19E C18E 117.2(6) . .
C24E C19E C18E 122.4(6) . .
C21E C20E C19E 120.8(6) . .
C21E C20E H20E 119.6 . .
C19E C20E H20E 119.6 . .
C20E C21E C22E 122.1(6) . .
C20E C21E H21E 119.0 . .
C22E C21E H21E 119.0 . .
C21E C22E C23E 119.6(6) . .
C21E C22E H22E 120.2 . .
C23E C22E H22E 120.2 . .
O6E C23E C22E 125.0(6) . .
O6E C23E C24E 115.4(6) . .
C22E C23E C24E 119.5(6) . .
O5E C24E C19E 126.5(6) . .
O5E C24E C23E 116.0(5) . .
C19E C24E C23E 117.4(6) . .
C2F O1F Ga3 112.0(4) . .
C1F O2F Ga3 111.2(4) . .
C24F O5F Ga2 111.7(4) . .
C23F O6F Ga2 110.7(4) . .
C23F O6F K2 134.4(4) . .
Ga2 O6F K2 88.41(17) . .
C7F N1F C8F 129.7(5) . .
C7F N1F H1F 115.1 . .
C8F N1F H1F 115.1 . .
C18F N2F C17F 125.9(5) . .
C18F N2F H2F 117.1 . .
C17F N2F H2F 117.1 . .
O2F C1F C6F 123.1(6) . .
O2F C1F C2F 118.1(5) . .
C6F C1F C2F 118.7(6) . .
C3F C2F O1F 123.2(6) . .
C3F C2F C1F 121.6(7) . .
O1F C2F C1F 115.2(6) . .
C2F C3F C4F 120.1(7) . .
C2F C3F H3F 119.9 . .
C4F C3F H3F 119.9 . .
C5F C4F C3F 119.8(7) . .
C5F C4F H4F 120.1 . .
C3F C4F H4F 120.1 . .
C4F C5F C6F 120.7(7) . .
C4F C5F H5F 119.7 . .
C6F C5F H5F 119.7 . .
C1F C6F C5F 119.0(6) . .
C1F C6F C7F 124.5(6) . .
C5F C6F C7F 116.5(6) . .
O3F C7F N1F 121.4(6) . .
O3F C7F C6F 121.8(6) . .
N1F C7F C6F 116.8(6) . .
C9F C8F N1F 122.5(6) . .
C9F C8F C13F 119.8(6) . .
N1F C8F C13F 117.7(5) . .
C8F C9F C10F 121.4(7) . .
C8F C9F H9F 119.3 . .
C10F C9F H9F 119.3 . .
C9F C10F C11F 121.9(7) . .
C9F C10F H10F 119.0 . .
C11F C10F H10F 119.0 . .
C12F C11F C10F 118.7(7) . .
C12F C11F H11F 120.6 . .
C10F C11F H11F 120.6 . .
C11F C12F C13F 120.0(6) . .
C11F C12F C17F 121.8(6) . .
C13F C12F C17F 118.2(5) . .
C14F C13F C8F 123.6(6) . .
C14F C13F C12F 118.5(6) . .
C8F C13F C12F 117.9(5) . .
C15F C14F C13F 121.2(6) . .
C15F C14F H14F 119.4 . .
C13F C14F H14F 119.4 . .
C14F C15F C16F 121.1(7) . .
C14F C15F H15F 119.4 . .
C16F C15F H15F 119.4 . .
C17F C16F C15F 120.6(7) . .
C17F C16F H16F 119.7 . .
C15F C16F H16F 119.7 . .
C16F C17F N2F 122.9(6) . .
C16F C17F C12F 120.3(6) . .
N2F C17F C12F 116.8(5) . .
O4F C18F N2F 123.1(6) . .
O4F C18F C19F 123.7(6) . .
N2F C18F C19F 113.2(6) . .
C20F C19F C24F 119.2(6) . .
C20F C19F C18F 115.8(6) . .
C24F C19F C18F 125.0(6) . .
C21F C20F C19F 121.9(7) . .
C21F C20F H20F 119.1 . .
C19F C20F H20F 119.1 . .
C20F C21F C22F 119.8(7) . .
C20F C21F H21F 120.1 . .
C22F C21F H21F 120.1 . .
C23F C22F C21F 121.1(7) . .
C23F C22F H22F 119.4 . .
C21F C22F H22F 119.4 . .
O6F C23F C22F 123.3(6) . .
O6F C23F C24F 117.8(6) . .
C22F C23F C24F 118.8(6) . .
O5F C24F C19F 124.7(5) . .
O5F C24F C23F 116.2(6) . .
C19F C24F C23F 119.1(6) . .
P1G C1G H1G1 109.5 . .
P1G C1G H1G2 109.5 . .
H1G1 C1G H1G2 109.5 . .
P1G C1G H1G3 109.5 . .
H1G1 C1G H1G3 109.5 . .
H1G2 C1G H1G3 109.5 . .
P1G C2G H2G1 109.5 . .
P1G C2G H2G2 109.5 . .
H2G1 C2G H2G2 109.5 . .
P1G C2G H2G3 109.5 . .
H2G1 C2G H2G3 109.5 . .
H2G2 C2G H2G3 109.5 . .
P1G C3G H3G1 109.5 . .
P1G C3G H3G2 109.5 . .
H3G1 C3G H3G2 109.5 . .
P1G C3G H3G3 109.5 . .
H3G1 C3G H3G3 109.5 . .
H3G2 C3G H3G3 109.5 . .
C2G P1G C3G 107.8(3) . .
C2G P1G C4G 108.7(4) . .
C3G P1G C4G 112.2(4) . .
C2G P1G C1G 107.7(4) . .
C3G P1G C1G 106.8(4) . .
C4G P1G C1G 113.4(4) . .
C5G C4G P1G 115.0(6) . .
C5G C4G H4G1 108.5 . .
P1G C4G H4G1 108.5 . .
C5G C4G H4G2 108.5 . .
P1G C4G H4G2 108.5 . .
H4G1 C4G H4G2 107.5 . .
C6G C5G C10G 119.1(7) . .
C6G C5G C4G 119.8(7) . .
C10G C5G C4G 121.0(7) . .
C5G C6G C7G 120.9(8) . .
C5G C6G C12G 122.3(8) . .
C7G C6G C12G 116.8(7) . .
C6G C7G C8G 117.4(9) . .
C6G C7G H7G 121.3 . .
C8G C7G H7G 121.3 . .
C9G C8G C7G 120.1(9) . .
C9G C8G C13G 123.5(10) . .
C7G C8G C13G 116.3(10) . .
C8G C9G C10G 124.1(8) . .
C8G C9G H9G 118.0 . .
C10G C9G H9G 118.0 . .
C9G C10G C5G 118.0(7) . .
C9G C10G C11G 119.3(7) . .
C5G C10G C11G 122.7(8) . .
P1H C1H H1H1 109.5 . .
P1H C1H H1H2 109.5 . .
H1H1 C1H H1H2 109.5 . .
P1H C1H H1H3 109.5 . .
H1H1 C1H H1H3 109.5 . .
H1H2 C1H H1H3 109.5 . .
P1H C2H H2H1 109.5 . .
P1H C2H H2H2 109.5 . .
H2H1 C2H H2H2 109.5 . .
P1H C2H H2H3 109.5 . .
H2H1 C2H H2H3 109.5 . .
H2H2 C2H H2H3 109.5 . .
P1H C3H H3H1 109.5 . .
P1H C3H H3H2 109.5 . .
H3H1 C3H H3H2 109.5 . .
P1H C3H H3H3 109.5 . .
H3H1 C3H H3H3 109.5 . .
H3H2 C3H H3H3 109.5 . .
C1H P1H C3H 107.8(4) . .
C1H P1H C2H 108.9(4) . .
C3H P1H C2H 109.2(4) . .
C1H P1H C4H 111.6(4) . .
C3H P1H C4H 112.3(4) . .
C2H P1H C4H 107.1(4) . .
C5H C4H P1H 117.3(5) . .
C5H C4H H4H1 108.0 . .
P1H C4H H4H1 108.0 . .
C5H C4H H4H2 108.0 . .
P1H C4H H4H2 108.0 . .
H4H1 C4H H4H2 107.2 . .
C10H C5H C6H 122.0(8) . .
C10H C5H C4H 118.2(8) . .
C6H C5H C4H 119.8(7) . .
C7H C6H C5H 117.5(10) . .
C7H C6H C12H 118.7(10) . .
C5H C6H C12H 123.7(8) . .
C6H C7H C8H 119.6(13) . .
C6H C7H H7H 120.2 . .
C8H C7H H7H 120.2 . .
C9H C8H C7H 122.1(12) . .
C9H C8H C13H 121.1(14) . .
C7H C8H C13H 116.9(15) . .
C8H C9H C10H 120.9(12) . .
C8H C9H H9H 119.5 . .
C10H C9H H9H 119.5 . .
C9H C10H C5H 117.7(10) . .
C9H C10H C11H 117.3(9) . .
C5H C10H C11H 125.0(8) . .
P1I C1I H1I1 109.5 . .
P1I C1I H1I2 109.5 . .
H1I1 C1I H1I2 109.5 . .
P1I C1I H1I3 109.5 . .
H1I1 C1I H1I3 109.5 . .
H1I2 C1I H1I3 109.5 . .
P1I C2I H2I1 109.5 . .
P1I C2I H2I2 109.5 . .
H2I1 C2I H2I2 109.5 . .
P1I C2I H2I3 109.5 . .
H2I1 C2I H2I3 109.5 . .
H2I2 C2I H2I3 109.5 . .
P1I C3I H3I1 109.5 . .
P1I C3I H3I2 109.5 . .
H3I1 C3I H3I2 109.5 . .
P1I C3I H3I3 109.5 . .
H3I1 C3I H3I3 109.5 . .
H3I2 C3I H3I3 109.5 . .
C1I P1I C3I 112.1(8) . .
C1I P1I C2I 110.2(7) . .
C3I P1I C2I 110.3(7) . .
C1I P1I C4I 111.0(7) . .
C3I P1I C4I 107.3(5) . .
C2I P1I C4I 105.7(6) . .
C5I C4I P1I 115.0 . .
C5I C4I H4I1 108.5 . .
P1I C4I H4I1 108.5 . .
C5I C4I H4I2 108.5 . .
P1I C4I H4I2 108.5 . .
H4I1 C4I H4I2 107.5 . .
C6I C5I C10I 116.3 . .
C6I C5I C4I 119.3 . .
C10I C5I C4I 124.4 . .
C5I C6I C7I 122.3 . .
C5I C6I C12I 123.7 . .
C7I C6I C12I 113.9 . .
C6I C7I C8I 114.6 . .
C6I C7I H7I 122.7 . .
C8I C7I H7I 122.7 . .
C9I C8I C7I 124.2 . .
C9I C8I C13I 120.6 . .
C7I C8I C13I 114.7 . .
C8I C9I C10I 119.4 . .
C8I C9I H9I 120.3 . .
C10I C9I H9I 120.3 . .
C9I C10I C5I 122.8 . .
C9I C10I C11I 118.6 . .
C5I C10I C11I 118.5 . .
P1J C1J H1J1 109.5 . .
P1J C1J H1J2 109.5 . .
H1J1 C1J H1J2 109.5 . .
P1J C1J H1J3 109.5 . .
H1J1 C1J H1J3 109.5 . .
H1J2 C1J H1J3 109.5 . .
P1J C2J H2J1 109.5 . .
P1J C2J H2J2 109.5 . .
H2J1 C2J H2J2 109.5 . .
P1J C2J H2J3 109.5 . .
H2J1 C2J H2J3 109.5 . .
H2J2 C2J H2J3 109.5 . .
P1J C3J H3J1 109.5 . .
P1J C3J H3J2 109.5 . .
H3J1 C3J H3J2 109.5 . .
P1J C3J H3J3 109.5 . .
H3J1 C3J H3J3 109.5 . .
H3J2 C3J H3J3 109.5 . .
C2J P1J C3J 112.1(5) . .
C2J P1J C1J 105.8(6) . .
C3J P1J C1J 105.3(6) . .
C2J P1J C4J 114.2(4) . .
C3J P1J C4J 110.5(4) . .
C1J P1J C4J 108.5(4) . .
C5J C4J P1J 115.0 . .
C5J C4J H4J1 108.5 . .
P1J C4J H4J1 108.5 . .
C5J C4J H4J2 108.5 . .
P1J C4J H4J2 108.5 . .
H4J1 C4J H4J2 107.5 . .
C6J C5J C10J 116.2 . .
C6J C5J C4J 119.4 . .
C10J C5J C4J 124.4 . .
C5J C6J C7J 122.3 . .
C5J C6J C12J 123.7 . .
C7J C6J C12J 114.0 . .
C6J C7J C8J 114.7 . .
C6J C7J H7J 122.7 . .
C8J C7J H7J 122.7 . .
C9J C8J C7J 124.2 . .
C9J C8J C13J 120.6 . .
C7J C8J C13J 114.6 . .
C8J C9J C10J 119.4 . .
C8J C9J H9J 120.3 . .
C10J C9J H9J 120.3 . .
C9J C10J C5J 122.8 . .
C9J C10J C11J 118.6 . .
C5J C10J C11J 118.5 . .
C2L P1L C4M 113.7(5) . .
C2L P1L C4L 113.7(4) . .
C4M P1L C4L 103.3(6) . .
C2L P1L C3L 106.6(5) . .
C4M P1L C3L 109.5(5) . .
C4L P1L C3L 110.0(5) . .
P1L C2L H2L1 109.5 . .
P1L C2L H2L2 109.5 . .
H2L1 C2L H2L2 109.5 . .
P1L C2L H2L3 109.5 . .
H2L1 C2L H2L3 109.5 . .
H2L2 C2L H2L3 109.5 . .
P1L C3L H3L1 109.5 . .
P1L C3L H3L2 109.5 . .
H3L1 C3L H3L2 109.5 . .
P1L C3L H3L3 109.5 . .
H3L1 C3L H3L3 109.5 . .
H3L2 C3L H3L3 109.5 . .
C5L C4L P1L 103.9(5) . .
C5L C4L H4L1 111.0 . .
P1L C4L H4L1 111.0 . .
C5L C4L H4L2 111.0 . .
P1L C4L H4L2 111.0 . .
H4L1 C4L H4L2 109.0 . .
C6L C5L C10L 120.0 . .
C6L C5L C4L 121.1(7) . .
C10L C5L C4L 118.9(7) . .
C5L C6L C7L 120.0 . .
C5L C6L C12L 120.2(6) . .
C7L C6L C12L 118.4(6) . .
C6L C7L C8L 120.0 . .
C6L C7L H7L 120.0 . .
C8L C7L H7L 120.0 . .
C7L C8L C9L 120.0 . .
C7L C8L C13L 117.6(6) . .
C9L C8L C13L 121.9(6) . .
C10L C9L C8L 120.0 . .
C10L C9L H9L 120.0 . .
C8L C9L H9L 120.0 . .
C9L C10L C5L 120.0 . .
C9L C10L C11L 115.8(7) . .
C5L C10L C11L 123.2(7) . .
C5M C4M P1L 101.8(5) . .
C5M C4M H4M1 111.4 . .
P1L C4M H4M1 111.4 . .
C5M C4M H4M2 111.4 . .
P1L C4M H4M2 111.4 . .
H4M1 C4M H4M2 109.3 . .
C6M C5M C10M 110.8(12) . .
C6M C5M C4M 131.5(15) . .
C10M C5M C4M 117.6(13) . .
C10M C9M C8M 120.9(13) . .
C10M C9M H9M 119.6 . .
C8M C9M H9M 119.6 . .
C9M C10M C11M 120.9(14) . .
C9M C10M C5M 119.5(12) . .
C11M C10M C5M 117.7(13) . .
C1N O1N K3 155.4(9) . .
C1N N1N C2N 118.2(16) . .
C1N N1N C3N 116.2(14) . .
C2N N1N C3N 125.3(17) . .
O1N C1N N1N 121.6(16) . .
O1N C1N H1N 119.2 . .
N1N C1N H1N 119.2 . .
C1O O1O K3 156.0(11) . .
C1P O1P K1 141.8(9) . .
C1Q O1Q K2 127.1(17) . .
K1 O1R K1 110.6(2) 2_557 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
K1 O6C 2.636(4) .
K1 O1R 2.662(5) 2_557
K1 O1U 2.662(10) .
K1 O1P 2.808(8) .
K1 O6D 2.826(5) .
K1 O1T 2.868(14) .
K1 O1R 3.381(7) .
K2 O1V 2.50(3) .
K2 O1X 2.58(4) .
K2 O1W 2.64(4) .
K2 O1C 2.754(5) .
K2 O6A 2.756(5) .
K2 O3E 2.790(7) 1_565
K2 O6F 2.807(5) .
K2 O1Q 2.86(2) .
K2 C7E 3.462(7) 1_565
K3 O1E 2.597(5) .
K3 O3B 2.700(5) 1_655
K3 O1N 2.719(8) .
K3 O1O 2.731(12) .
K3 O1D 2.768(5) .
K3 O1S 2.891(13) .
K3 C7B 3.425(6) 1_655
Ga1 O5C 1.958(3) .
Ga1 O1B 1.961(5) .
Ga1 O5D 1.966(5) .
Ga1 O6D 1.968(4) .
Ga1 O6C 1.972(4) .
Ga1 O2B 1.988(4) .
Ga2 O5F 1.972(4) .
Ga2 O1C 1.972(4) .
Ga2 O5A 1.977(4) .
Ga2 O6A 1.981(4) .
Ga2 O2C 1.983(4) .
Ga2 O6F 1.988(5) .
Ga3 O1E 1.955(4) .
Ga3 O1F 1.969(5) .
Ga3 O1D 1.970(4) .
Ga3 O2D 1.975(5) .
Ga3 O2F 1.993(4) .
Ga3 O2E 1.994(4) .
Ga4 O6E 1.966(5) .
Ga4 O5B 1.968(5) .
Ga4 O5E 1.969(4) .
Ga4 O1A 1.979(4) .
Ga4 O2A 1.983(5) .
Ga4 O6B 1.986(5) .
O1A C2A 1.321(9) .
O2A C1A 1.356(8) .
O3A C7A 1.228(8) .
O4A C18A 1.245(7) .
O5A C24A 1.355(7) .
O6A C23A 1.350(8) .
N1A C7A 1.377(8) .
N1A C8A 1.407(8) .
N1A H1A 0.8600 .
N2A C18A 1.350(7) .
N2A C17A 1.413(7) .
N2A H2A 0.8600 .
C1A C6A 1.414(10) .
C1A C2A 1.415(9) .
C2A C3A 1.394(10) .
C3A C4A 1.406(12) .
C3A H3A 0.9300 .
C4A C5A 1.378(11) .
C4A H4A 0.9300 .
C5A C6A 1.424(9) .
C5A H5A 0.9300 .
C6A C7A 1.463(10) .
C8A C9A 1.375(10) .
C8A C13A 1.456(9) .
C9A C10A 1.397(10) .
C9A H9A 0.9300 .
C10A C11A 1.344(9) .
C10A H10A 0.9300 .
C11A C12A 1.397(9) .
C11A H11A 0.9300 .
C12A C13A 1.422(8) .
C12A C17A 1.449(8) .
C13A C14A 1.395(9) .
C14A C15A 1.349(9) .
C14A H14A 0.9300 .
C15A C16A 1.426(9) .
C15A H15A 0.9300 .
C16A C17A 1.368(9) .
C16A H16A 0.9300 .
C18A C19A 1.467(9) .
C19A C24A 1.389(9) .
C19A C20A 1.409(8) .
C20A C21A 1.364(10) .
C20A H20A 0.9300 .
C21A C22A 1.379(11) .
C21A H21A 0.9300 .
C22A C23A 1.371(9) .
C22A H22A 0.9300 .
C23A C24A 1.427(9) .
O1B C2B 1.358(8) .
O2B C1B 1.344(8) .
O3B C7B 1.249(8) .
O3B K3 2.700(5) 1_455
O4B C18B 1.204(9) .
O5B C24B 1.329(8) .
O6B C23B 1.319(10) .
N1B C7B 1.358(9) .
N1B C8B 1.404(8) .
N1B H1B 0.8600 .
N2B C18B 1.357(10) .
N2B C17B 1.412(8) .
N2B H2B 0.8600 .
C1B C2B 1.382(9) .
C1B C6B 1.419(9) .
C2B C3B 1.375(11) .
C3B C4B 1.401(11) .
C3B H3B 0.9300 .
C4B C5B 1.377(10) .
C4B H4B 0.9300 .
C5B C6B 1.383(10) .
C5B H5B 0.9300 .
C6B C7B 1.468(9) .
C7B K3 3.425(6) 1_455
C8B C9B 1.393(9) .
C8B C13B 1.422(10) .
C9B C10B 1.362(10) .
C9B H9B 0.9300 .
C10B C11B 1.371(11) .
C10B H10B 0.9300 .
C11B C12B 1.443(10) .
C11B H11B 0.9300 .
C12B C17B 1.386(10) .
C12B C13B 1.431(9) .
C13B C14B 1.431(9) .
C14B C15B 1.356(10) .
C14B H14B 0.9300 .
C15B C16B 1.385(10) .
C15B H15B 0.9300 .
C16B C17B 1.393(10) .
C16B H16B 0.9300 .
C18B C19B 1.506(10) .
C19B C20B 1.377(12) .
C19B C24B 1.418(11) .
C20B C21B 1.413(13) .
C20B H20B 0.9300 .
C21B C22B 1.358(14) .
C21B H21B 0.9300 .
C22B C23B 1.379(12) .
C22B H22B 0.9300 .
C23B C24B 1.416(10) .
O1C C2C 1.300(8) .
O2C C1C 1.307(7) .
O3C C7C 1.254(9) .
O4C C18C 1.225(7) .
O5C C24C 1.320(7) .
O6C C23C 1.320(8) .
N1C C7C 1.323(9) .
N1C C8C 1.389(8) .
N1C H1C 0.8600 .
N2C C18C 1.362(8) .
N2C C17C 1.392(7) .
N2C H2C 0.8600 .
C1C C2C 1.410(9) .
C1C C6C 1.416(9) .
C2C C3C 1.413(9) .
C3C C4C 1.374(10) .
C3C H3C 0.9300 .
C4C C5C 1.374(10) .
C4C H4C 0.9300 .
C5C C6C 1.402(10) .
C5C H5C 0.9300 .
C6C C7C 1.504(10) .
C8C C9C 1.393(9) .
C8C C13C 1.442(9) .
C9C C10C 1.370(10) .
C9C H9C 0.9300 .
C10C C11C 1.356(11) .
C10C H10C 0.9300 .
C11C C12C 1.403(9) .
C11C H11C 0.9300 .
C12C C17C 1.415(9) .
C12C C13C 1.455(8) .
C13C C14C 1.402(8) .
C14C C15C 1.353(9) .
C14C H14C 0.9300 .
C15C C16C 1.418(9) .
C15C H15C 0.9300 .
C16C C17C 1.360(9) .
C16C H16C 0.9300 .
C18C C19C 1.467(8) .
C19C C24C 1.407(8) .
C19C C20C 1.431(9) .
C20C C21C 1.323(10) .
C20C H20C 0.9300 .
C21C C22C 1.383(10) .
C21C H21C 0.9300 .
C22C C23C 1.376(9) .
C22C H22C 0.9300 .
C23C C24C 1.448(8) .
O1D C2D 1.307(9) .
O2D C1D 1.339(8) .
O3D C7D 1.250(10) .
O4D C18D 1.236(11) .
O5D C24D 1.325(8) .
O6D C23D 1.350(9) .
N1D C7D 1.370(10) .
N1D C8D 1.381(9) .
N1D H1D 0.8600 .
N2D C18D 1.350(11) .
N2D C17D 1.454(9) .
N2D H2D 0.8600 .
C1D C6D 1.388(10) .
C1D C2D 1.442(10) .
C2D C3D 1.350(11) .
C3D C4D 1.366(15) .
C3D H3D 0.9300 .
C4D C5D 1.405(15) .
C4D H4D 0.9300 .
C5D C6D 1.426(11) .
C5D H5D 0.9300 .
C6D C7D 1.499(11) .
C8D C9D 1.346(11) .
C8D C13D 1.450(10) .
C9D C10D 1.451(13) .
C9D H9D 0.9300 .
C10D C11D 1.373(13) .
C10D H10D 0.9300 .
C11D C12D 1.436(11) .
C11D H11D 0.9300 .
C12D C17D 1.419(10) .
C12D C13D 1.428(9) .
C13D C14D 1.421(11) .
C14D C15D 1.330(12) .
C14D H14D 0.9300 .
C15D C16D 1.394(12) .
C15D H15D 0.9300 .
C16D C17D 1.356(12) .
C16D H16D 0.9300 .
C18D C19D 1.497(12) .
C19D C24D 1.409(11) .
C19D C20D 1.433(12) .
C20D C21D 1.359(15) .
C20D H20D 0.9300 .
C21D C22D 1.355(14) .
C21D H21D 0.9300 .
C22D C23D 1.359(11) .
C22D H22D 0.9300 .
C23D C24D 1.421(10) .
O1E C2E 1.324(8) .
O2E C1E 1.337(7) .
O3E C7E 1.262(8) .
O3E K2 2.790(7) 1_545
O4E C18E 1.244(8) .
O5E C24E 1.311(7) .
O6E C23E 1.317(8) .
N1E C7E 1.342(8) .
N1E C8E 1.418(8) .
N1E H1E 0.8600 .
N2E C17E 1.384(8) .
N2E C18E 1.385(8) .
N2E H2E 0.8600 .
C1E C6E 1.378(10) .
C1E C2E 1.464(10) .
C2E C3E 1.362(10) .
C3E C4E 1.419(12) .
C3E H3E 0.9300 .
C4E C5E 1.339(12) .
C4E H4E 0.9300 .
C5E C6E 1.398(10) .
C5E H5E 0.9300 .
C6E C7E 1.457(10) .
C7E K2 3.462(7) 1_545
C8E C9E 1.360(10) .
C8E C13E 1.419(9) .
C9E C10E 1.356(11) .
C9E H9E 0.9300 .
C10E C11E 1.359(11) .
C10E H10E 0.9300 .
C11E C12E 1.412(9) .
C11E H11E 0.9300 .
C12E C17E 1.427(9) .
C12E C13E 1.440(9) .
C13E C14E 1.428(9) .
C14E C15E 1.349(10) .
C14E H14E 0.9300 .
C15E C16E 1.400(11) .
C15E H15E 0.9300 .
C16E C17E 1.382(10) .
C16E H16E 0.9300 .
C18E C19E 1.469(9) .
C19E C20E 1.394(9) .
C19E C24E 1.413(9) .
C20E C21E 1.364(9) .
C20E H20E 0.9300 .
C21E C22E 1.387(10) .
C21E H21E 0.9300 .
C22E C23E 1.391(10) .
C22E H22E 0.9300 .
C23E C24E 1.475(9) .
O1F C2F 1.374(8) .
O2F C1F 1.333(7) .
O3F C7F 1.249(7) .
O4F C18F 1.198(8) .
O5F C24F 1.324(7) .
O6F C23F 1.315(8) .
N1F C7F 1.339(9) .
N1F C8F 1.408(8) .
N1F H1F 0.8600 .
N2F C18F 1.399(8) .
N2F C17F 1.401(8) .
N2F H2F 0.8600 .
C1F C6F 1.384(9) .
C1F C2F 1.423(9) .
C2F C3F 1.338(10) .
C3F C4F 1.422(11) .
C3F H3F 0.9300 .
C4F C5F 1.351(11) .
C4F H4F 0.9300 .
C5F C6F 1.436(10) .
C5F H5F 0.9300 .
C6F C7F 1.460(10) .
C8F C9F 1.330(10) .
C8F C13F 1.428(9) .
C9F C10F 1.367(12) .
C9F H9F 0.9300 .
C10F C11F 1.393(11) .
C10F H10F 0.9300 .
C11F C12F 1.361(9) .
C11F H11F 0.9300 .
C12F C13F 1.451(9) .
C12F C17F 1.458(9) .
C13F C14F 1.395(9) .
C14F C15F 1.362(11) .
C14F H14F 0.9300 .
C15F C16F 1.421(11) .
C15F H15F 0.9300 .
C16F C17F 1.338(9) .
C16F H16F 0.9300 .
C18F C19F 1.489(10) .
C19F C20F 1.399(9) .
C19F C24F 1.400(9) .
C20F C21F 1.350(10) .
C20F H20F 0.9300 .
C21F C22F 1.394(10) .
C21F H21F 0.9300 .
C22F C23F 1.383(9) .
C22F H22F 0.9300 .
C23F C24F 1.433(9) .
C1G P1G 1.816(9) .
C1G H1G1 0.9600 .
C1G H1G2 0.9600 .
C1G H1G3 0.9600 .
C2G P1G 1.758(7) .
C2G H2G1 0.9600 .
C2G H2G2 0.9600 .
C2G H2G3 0.9600 .
C3G P1G 1.784(7) .
C3G H3G1 0.9600 .
C3G H3G2 0.9600 .
C3G H3G3 0.9600 .
P1G C4G 1.803(9) .
C4G C5G 1.518(11) .
C4G H4G1 0.9700 .
C4G H4G2 0.9700 .
C5G C6G 1.388(11) .
C5G C10G 1.407(11) .
C6G C7G 1.401(12) .
C6G C12G 1.547(12) .
C7G C8G 1.434(14) .
C7G H7G 0.9300 .
C8G C9G 1.303(13) .
C8G C13G 1.592(14) .
C9G C10G 1.382(12) .
C9G H9G 0.9300 .
C10G C11G 1.522(13) .
C1H P1H 1.761(7) .
C1H H1H1 0.9600 .
C1H H1H2 0.9600 .
C1H H1H3 0.9600 .
C2H P1H 1.771(8) .
C2H H2H1 0.9600 .
C2H H2H2 0.9600 .
C2H H2H3 0.9600 .
C3H P1H 1.761(7) .
C3H H3H1 0.9600 .
C3H H3H2 0.9600 .
C3H H3H3 0.9600 .
P1H C4H 1.828(6) .
C4H C5H 1.508(11) .
C4H H4H1 0.9700 .
C4H H4H2 0.9700 .
C5H C10H 1.391(12) .
C5H C6H 1.431(13) .
C6H C7H 1.379(14) .
C6H C12H 1.506(14) .
C7H C8H 1.396(19) .
C7H H7H 0.9300 .
C8H C9H 1.35(2) .
C8H C13H 1.542(18) .
C9H C10H 1.386(13) .
C9H H9H 0.9300 .
C10H C11H 1.474(13) .
C1I P1I 1.716(13) .
C1I H1I1 0.9600 .
C1I H1I2 0.9600 .
C1I H1I3 0.9600 .
C2I P1I 1.755(12) .
C2I H2I1 0.9600 .
C2I H2I2 0.9600 .
C2I H2I3 0.9600 .
C3I P1I 1.734(13) .
C3I H3I1 0.9600 .
C3I H3I2 0.9600 .
C3I H3I3 0.9600 .
P1I C4I 1.8141 .
C4I C5I 1.4860 .
C4I H4I1 0.9700 .
C4I H4I2 0.9700 .
C5I C6I 1.3829 .
C5I C10I 1.4279 .
C6I C7I 1.4078 .
C6I C12I 1.5679 .
C7I C8I 1.4389 .
C7I H7I 0.9300 .
C8I C9I 1.3055 .
C8I C13I 1.6998 .
C9I C10I 1.3366 .
C9I H9I 0.9300 .
C10I C11I 1.5635 .
C1J P1J 1.784(9) .
C1J H1J1 0.9600 .
C1J H1J2 0.9600 .
C1J H1J3 0.9600 .
C2J P1J 1.751(9) .
C2J H2J1 0.9600 .
C2J H2J2 0.9600 .
C2J H2J3 0.9600 .
C3J P1J 1.764(10) .
C3J H3J1 0.9600 .
C3J H3J2 0.9600 .
C3J H3J3 0.9600 .
P1J C4J 1.8144 .
C4J C5J 1.4850 .
C4J H4J1 0.9700 .
C4J H4J2 0.9700 .
C5J C6J 1.3831 .
C5J C10J 1.4294 .
C6J C7J 1.4076 .
C6J C12J 1.5680 .
C7J C8J 1.4375 .
C7J H7J 0.9300 .
C8J C9J 1.3056 .
C8J C13J 1.7004 .
C9J C10J 1.3358 .
C9J H9J 0.9300 .
C10J C11J 1.5649 .
P1L C2L 1.732(8) .
P1L C4M 1.763(9) .
P1L C4L 1.776(9) .
P1L C3L 1.787(9) .
C2L H2L1 0.9600 .
C2L H2L2 0.9600 .
C2L H2L3 0.9600 .
C3L H3L1 0.9600 .
C3L H3L2 0.9600 .
C3L H3L3 0.9600 .
C4L C5L 1.662(10) .
C4L H4L1 0.9700 .
C4L H4L2 0.9700 .
C5L C6L 1.3900 .
C5L C10L 1.3900 .
C6L C7L 1.3900 .
C6L C12L 1.562(10) .
C7L C8L 1.3900 .
C7L H7L 0.9300 .
C8L C9L 1.3900 .
C8L C13L 1.583(9) .
C9L C10L 1.3900 .
C9L H9L 0.9300 .
C10L C11L 1.589(11) .
C4M C5M 1.619(13) .
C4M H4M1 0.9700 .
C4M H4M2 0.9700 .
C5M C6M 1.50(3) .
C5M C10M 1.61(2) .
C8M C9M 1.46(2) .
C9M C10M 1.34(2) .
C9M H9M 0.9300 .
C10M C11M 1.580(13) .
O1N C1N 1.288(14) .
N1N C1N 1.305(14) .
N1N C2N 1.404(13) .
N1N C3N 1.426(12) .
C1N H1N 0.9300 .
O1O C1O 1.410(7) .
O1P C1P 1.412(7) .
O1Q C1Q 1.406(7) .
O1R K1 2.662(5) 2_557
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_4
O6E Ga4 O1A C2A -92.8(5) . .
O5B Ga4 O1A C2A 93.6(5) . .
O2A Ga4 O1A C2A 0.7(5) . .
O6B Ga4 O1A C2A 177.1(5) . .
O6E Ga4 O2A C1A 88.1(4) . .
O5B Ga4 O2A C1A -95.8(4) . .
O5E Ga4 O2A C1A 171.6(4) . .
O1A Ga4 O2A C1A -2.0(4) . .
O5F Ga2 O5A C24A -105.8(4) . .
O1C Ga2 O5A C24A 76.3(4) . .
O6A Ga2 O5A C24A -11.3(4) . .
O2C Ga2 O5A C24A 159.5(4) . .
O5F Ga2 O6A C23A 102.4(4) . .
O1C Ga2 O6A C23A -82.3(4) . .
O5A Ga2 O6A C23A 11.5(4) . .
O6F Ga2 O6A C23A -174.3(4) . .
O5F Ga2 O6A K2 -129.37(17) . .
O1C Ga2 O6A K2 45.87(18) . .
O5A Ga2 O6A K2 139.73(17) . .
O6F Ga2 O6A K2 -46.05(17) . .
O1V K2 O6A C23A -126.9(10) . .
O1X K2 O6A C23A 12.1(12) . .
O1W K2 O6A C23A 20(2) . .
O1C K2 O6A C23A 79.3(4) . .
O3E K2 O6A C23A 177.7(5) 1_565 .
O6F K2 O6A C23A 151.6(5) . .
O1Q K2 O6A C23A -73.0(6) . .
C7E K2 O6A C23A -133.2(5) 1_565 .
O1V K2 O6A Ga2 117.3(9) . .
O1X K2 O6A Ga2 -103.7(11) . .
O1W K2 O6A Ga2 -96(2) . .
O1C K2 O6A Ga2 -36.45(14) . .
O3E K2 O6A Ga2 61.9(5) 1_565 .
O6F K2 O6A Ga2 35.81(15) . .
O1Q K2 O6A Ga2 171.2(5) . .
C7E K2 O6A Ga2 111.1(3) 1_565 .
Ga4 O2A C1A C6A -173.1(5) . .
Ga4 O2A C1A C2A 2.9(7) . .
Ga4 O1A C2A C3A 178.8(6) . .
Ga4 O1A C2A C1A 0.7(8) . .
O2A C1A C2A O1A -2.5(9) . .
C6A C1A C2A O1A 173.7(6) . .
O2A C1A C2A C3A 179.4(6) . .
C6A C1A C2A C3A -4.5(10) . .
O1A C2A C3A C4A -177.4(7) . .
C1A C2A C3A C4A 0.6(12) . .
C2A C3A C4A C5A 2.6(13) . .
C3A C4A C5A C6A -2.0(12) . .
O2A C1A C6A C5A -179.1(6) . .
C2A C1A C6A C5A 5.0(10) . .
O2A C1A C6A C7A 0.5(11) . .
C2A C1A C6A C7A -175.3(6) . .
C4A C5A C6A C1A -1.9(11) . .
C4A C5A C6A C7A 178.4(7) . .
C8A N1A C7A O3A -6.3(11) . .
C8A N1A C7A C6A 175.8(6) . .
C1A C6A C7A O3A -176.5(7) . .
C5A C6A C7A O3A 3.1(10) . .
C1A C6A C7A N1A 1.4(10) . .
C5A C6A C7A N1A -178.9(6) . .
C7A N1A C8A C9A 0.6(11) . .
C7A N1A C8A C13A -179.5(6) . .
N1A C8A C9A C10A 178.6(6) . .
C13A C8A C9A C10A -1.4(11) . .
C8A C9A C10A C11A 1.4(12) . .
C9A C10A C11A C12A -0.5(11) . .
C10A C11A C12A C13A -0.5(10) . .
C10A C11A C12A C17A 179.3(6) . .
C11A C12A C13A C14A 179.6(6) . .
C17A C12A C13A C14A -0.2(8) . .
C11A C12A C13A C8A 0.5(9) . .
C17A C12A C13A C8A -179.3(5) . .
C9A C8A C13A C14A -178.6(7) . .
N1A C8A C13A C14A 1.4(9) . .
C9A C8A C13A C12A 0.4(9) . .
N1A C8A C13A C12A -179.6(5) . .
C12A C13A C14A C15A 1.1(9) . .
C8A C13A C14A C15A -179.9(6) . .
C13A C14A C15A C16A 0.1(10) . .
C14A C15A C16A C17A -2.3(9) . .
C15A C16A C17A N2A -179.5(5) . .
C15A C16A C17A C12A 3.1(9) . .
C18A N2A C17A C16A 50.6(8) . .
C18A N2A C17A C12A -132.0(6) . .
C11A C12A C17A C16A 178.3(6) . .
C13A C12A C17A C16A -1.9(8) . .
C11A C12A C17A N2A 0.8(8) . .
C13A C12A C17A N2A -179.4(5) . .
C17A N2A C18A O4A -3.5(9) . .
C17A N2A C18A C19A 177.0(5) . .
O4A C18A C19A C24A -178.7(6) . .
N2A C18A C19A C24A 0.9(8) . .
O4A C18A C19A C20A 3.7(9) . .
N2A C18A C19A C20A -176.8(5) . .
C24A C19A C20A C21A -1.9(10) . .
C18A C19A C20A C21A 176.0(7) . .
C19A C20A C21A C22A 2.4(12) . .
C20A C21A C22A C23A -2.4(13) . .
Ga2 O6A C23A C22A 170.5(6) . .
K2 O6A C23A C22A 64.9(8) . .
Ga2 O6A C23A C24A -9.9(7) . .
K2 O6A C23A C24A -115.5(5) . .
C21A C22A C23A O6A -178.6(7) . .
C21A C22A C23A C24A 1.8(11) . .
Ga2 O5A C24A C19A -169.3(5) . .
Ga2 O5A C24A C23A 9.2(6) . .
C20A C19A C24A O5A 179.7(6) . .
C18A C19A C24A O5A 2.1(9) . .
C20A C19A C24A C23A 1.3(9) . .
C18A C19A C24A C23A -176.4(6) . .
O6A C23A C24A O5A 0.5(8) . .
C22A C23A C24A O5A -179.8(6) . .
O6A C23A C24A C19A 179.1(5) . .
C22A C23A C24A C19A -1.2(10) . .
O5C Ga1 O1B C2B 97.6(4) . .
O6D Ga1 O1B C2B -89.1(4) . .
O6C Ga1 O1B C2B -179.2(4) . .
O2B Ga1 O1B C2B 4.6(4) . .
O5C Ga1 O2B C1B -98.3(3) . .
O1B Ga1 O2B C1B -3.9(3) . .
O5D Ga1 O2B C1B 169.3(3) . .
O6D Ga1 O2B C1B 86.2(4) . .
O5E Ga4 O5B C24B -105.0(4) . .
O1A Ga4 O5B C24B 78.1(4) . .
O2A Ga4 O5B C24B 160.7(4) . .
O6B Ga4 O5B C24B -10.4(4) . .
O6E Ga4 O6B C23B -175.0(5) . .
O5B Ga4 O6B C23B 9.9(4) . .
O5E Ga4 O6B C23B 101.7(5) . .
O1A Ga4 O6B C23B -84.5(5) . .
Ga1 O2B C1B C2B 2.5(6) . .
Ga1 O2B C1B C6B -172.9(4) . .
Ga1 O1B C2B C3B 175.8(5) . .
Ga1 O1B C2B C1B -4.6(6) . .
O2B C1B C2B O1B 1.4(8) . .
C6B C1B C2B O1B 177.1(5) . .
O2B C1B C2B C3B -179.0(6) . .
C6B C1B C2B C3B -3.4(9) . .
O1B C2B C3B C4B 178.1(6) . .
C1B C2B C3B C4B -1.4(11) . .
C2B C3B C4B C5B 4.7(12) . .
C3B C4B C5B C6B -3.2(12) . .
C4B C5B C6B C1B -1.5(11) . .
C4B C5B C6B C7B 177.6(7) . .
O2B C1B C6B C5B -179.9(6) . .
C2B C1B C6B C5B 4.8(9) . .
O2B C1B C6B C7B 1.1(9) . .
C2B C1B C6B C7B -174.2(6) . .
K3 O3B C7B N1B 96.0(6) 1_455 .
K3 O3B C7B C6B -82.4(6) 1_455 .
C8B N1B C7B O3B -6.9(10) . .
C8B N1B C7B C6B 171.5(6) . .
C8B N1B C7B K3 45.2(7) . 1_455
C5B C6B C7B O3B 1.1(9) . .
C1B C6B C7B O3B -179.9(6) . .
C5B C6B C7B N1B -177.5(6) . .
C1B C6B C7B N1B 1.6(9) . .
C5B C6B C7B K3 -46.3(7) . 1_455
C1B C6B C7B K3 132.8(5) . 1_455
C7B N1B C8B C9B 3.5(10) . .
C7B N1B C8B C13B -173.7(6) . .
N1B C8B C9B C10B -178.6(7) . .
C13B C8B C9B C10B -1.4(11) . .
C8B C9B C10B C11B 0.9(13) . .
C9B C10B C11B C12B 0.9(12) . .
C10B C11B C12B C17B 179.1(7) . .
C10B C11B C12B C13B -2.1(10) . .
C9B C8B C13B C14B 179.5(6) . .
N1B C8B C13B C14B -3.1(9) . .
C9B C8B C13B C12B 0.2(9) . .
N1B C8B C13B C12B 177.6(5) . .
C17B C12B C13B C8B -179.7(6) . .
C11B C12B C13B C8B 1.5(9) . .
C17B C12B C13B C14B 1.0(9) . .
C11B C12B C13B C14B -177.8(6) . .
C8B C13B C14B C15B -179.7(6) . .
C12B C13B C14B C15B -0.3(9) . .
C13B C14B C15B C16B 0.2(10) . .
C14B C15B C16B C17B -0.8(11) . .
C13B C12B C17B C16B -1.6(10) . .
C11B C12B C17B C16B 177.2(6) . .
C13B C12B C17B N2B -179.3(5) . .
C11B C12B C17B N2B -0.5(9) . .
C15B C16B C17B C12B 1.5(10) . .
C15B C16B C17B N2B 179.1(6) . .
C18B N2B C17B C12B -139.4(7) . .
C18B N2B C17B C16B 42.9(10) . .
C17B N2B C18B O4B -2.2(11) . .
C17B N2B C18B C19B 179.6(6) . .
O4B C18B C19B C20B 5.0(12) . .
N2B C18B C19B C20B -176.7(8) . .
O4B C18B C19B C24B -175.3(7) . .
N2B C18B C19B C24B 3.0(10) . .
C24B C19B C20B C21B -3.0(15) . .
C18B C19B C20B C21B 176.7(9) . .
C19B C20B C21B C22B 1.9(18) . .
C20B C21B C22B C23B 0.4(19) . .
Ga4 O6B C23B C22B 170.6(7) . .
Ga4 O6B C23B C24B -8.0(8) . .
C21B C22B C23B O6B 179.9(10) . .
C21B C22B C23B C24B -1.6(15) . .
Ga4 O5B C24B C23B 9.1(7) . .
Ga4 O5B C24B C19B -170.6(6) . .
O6B C23B C24B O5B -0.6(10) . .
C22B C23B C24B O5B -179.3(7) . .
O6B C23B C24B C19B 179.0(6) . .
C22B C23B C24B C19B 0.4(11) . .
C20B C19B C24B O5B -178.5(8) . .
C18B C19B C24B O5B 1.8(11) . .
C20B C19B C24B C23B 1.9(11) . .
C18B C19B C24B C23B -177.8(7) . .
O5A Ga2 O1C C2C 92.1(4) . .
O6A Ga2 O1C C2C 175.3(4) . .
O2C Ga2 O1C C2C -0.6(4) . .
O6F Ga2 O1C C2C -94.7(4) . .
O5A Ga2 O1C K2 -129.06(15) . .
O6A Ga2 O1C K2 -45.91(18) . .
O2C Ga2 O1C K2 138.21(17) . .
O6F Ga2 O1C K2 44.10(17) . .
O1V K2 O1C C2C 131.6(10) . .
O1X K2 O1C C2C -118.8(14) . .
O1W K2 O1C C2C -69.9(18) . .
O6A K2 O1C C2C 156.6(6) . .
O3E K2 O1C C2C 0.4(6) 1_565 .
O6F K2 O1C C2C 85.8(5) . .
O1Q K2 O1C C2C -162.8(8) . .
C7E K2 O1C C2C -1.3(6) 1_565 .
O1V K2 O1C Ga2 11.7(9) . .
O1X K2 O1C Ga2 121.3(13) . .
O1W K2 O1C Ga2 170.2(18) . .
O6A K2 O1C Ga2 36.64(15) . .
O3E K2 O1C Ga2 -119.5(2) 1_565 .
O6F K2 O1C Ga2 -34.07(14) . .
O1Q K2 O1C Ga2 77.3(6) . .
C7E K2 O1C Ga2 -121.2(3) 1_565 .
O5F Ga2 O2C C1C 173.7(4) . .
O1C Ga2 O2C C1C -1.4(4) . .
O5A Ga2 O2C C1C -94.6(4) . .
O6F Ga2 O2C C1C 90.0(4) . .
O1B Ga1 O5C C24C 77.6(4) . .
O5D Ga1 O5C C24C -105.5(4) . .
O6C Ga1 O5C C24C -10.1(4) . .
O2B Ga1 O5C C24C 160.6(4) . .
O5C Ga1 O6C C23C 9.3(4) . .
O1B Ga1 O6C C23C -85.7(5) . .
O5D Ga1 O6C C23C 100.8(5) . .
O6D Ga1 O6C C23C -176.3(5) . .
O5C Ga1 O6C K1 169.5(2) . .
O1B Ga1 O6C K1 74.5(2) . .
O5D Ga1 O6C K1 -98.96(19) . .
O6D Ga1 O6C K1 -16.1(2) . .
O1R K1 O6C C23C 171.1(8) 2_557 .
O1U K1 O6C C23C -11.9(8) . .
O1P K1 O6C C23C 77.4(7) . .
O6D K1 O6C C23C 164.5(7) . .
O1T K1 O6C C23C -97.4(7) . .
O1R K1 O6C C23C 130.0(7) . .
K1 K1 O6C C23C 137.1(6) 2_557 .
O1R K1 O6C Ga1 19.4(9) 2_557 .
O1U K1 O6C Ga1 -163.6(5) . .
O1P K1 O6C Ga1 -74.4(2) . .
O6D K1 O6C Ga1 12.69(18) . .
O1T K1 O6C Ga1 110.8(4) . .
O1R K1 O6C Ga1 -21.8(2) . .
K1 K1 O6C Ga1 -14.6(3) 2_557 .
Ga2 O2C C1C C2C 3.1(7) . .
Ga2 O2C C1C C6C -175.0(5) . .
Ga2 O1C C2C C1C 2.5(7) . .
K2 O1C C2C C1C -109.7(6) . .
Ga2 O1C C2C C3C -179.1(5) . .
K2 O1C C2C C3C 68.7(8) . .
O2C C1C C2C O1C -3.9(9) . .
C6C C1C C2C O1C 174.3(6) . .
O2C C1C C2C C3C 177.6(6) . .
C6C C1C C2C C3C -4.2(9) . .
O1C C2C C3C C4C -177.3(6) . .
C1C C2C C3C C4C 1.1(10) . .
C2C C3C C4C C5C 2.1(11) . .
C3C C4C C5C C6C -2.2(11) . .
C4C C5C C6C C1C -0.9(10) . .
C4C C5C C6C C7C 177.7(7) . .
O2C C1C C6C C5C -177.8(6) . .
C2C C1C C6C C5C 4.1(10) . .
O2C C1C C6C C7C 3.7(11) . .
C2C C1C C6C C7C -174.4(6) . .
C8C N1C C7C O3C -6.7(13) . .
C8C N1C C7C C6C 177.2(7) . .
C5C C6C C7C O3C 8.8(11) . .
C1C C6C C7C O3C -172.7(8) . .
C5C C6C C7C N1C -175.0(6) . .
C1C C6C C7C N1C 3.6(11) . .
C7C N1C C8C C9C -7.5(12) . .
C7C N1C C8C C13C 174.3(7) . .
N1C C8C C9C C10C 179.0(8) . .
C13C C8C C9C C10C -2.8(13) . .
C8C C9C C10C C11C 3.9(14) . .
C9C C10C C11C C12C -2.8(13) . .
C10C C11C C12C C17C 179.9(7) . .
C10C C11C C12C C13C 0.7(11) . .
N1C C8C C13C C14C -0.6(10) . .
C9C C8C C13C C14C -178.8(7) . .
N1C C8C C13C C12C 179.0(6) . .
C9C C8C C13C C12C 0.8(10) . .
C11C C12C C13C C14C 179.9(6) . .
C17C C12C C13C C14C 0.6(9) . .
C11C C12C C13C C8C 0.3(9) . .
C17C C12C C13C C8C -179.0(6) . .
C8C C13C C14C C15C -178.9(6) . .
C12C C13C C14C C15C 1.5(9) . .
C13C C14C C15C C16C -1.5(10) . .
C14C C15C C16C C17C -0.8(10) . .
C15C C16C C17C N2C 177.7(6) . .
C15C C16C C17C C12C 3.0(9) . .
C18C N2C C17C C16C 46.2(9) . .
C18C N2C C17C C12C -138.9(6) . .
C11C C12C C17C C16C 177.9(6) . .
C13C C12C C17C C16C -2.9(9) . .
C11C C12C C17C N2C 3.1(9) . .
C13C C12C C17C N2C -177.7(5) . .
C17C N2C C18C O4C -0.3(11) . .
C17C N2C C18C C19C 177.6(6) . .
O4C C18C C19C C24C -178.6(6) . .
N2C C18C C19C C24C 3.6(10) . .
O4C C18C C19C C20C 1.8(10) . .
N2C C18C C19C C20C -176.0(6) . .
C24C C19C C20C C21C -3.2(11) . .
C18C C19C C20C C21C 176.5(7) . .
C19C C20C C21C C22C 2.4(14) . .
C20C C21C C22C C23C -0.3(14) . .
Ga1 O6C C23C C22C 171.8(7) . .
K1 O6C C23C C22C 21.0(12) . .
Ga1 O6C C23C C24C -7.0(8) . .
K1 O6C C23C C24C -157.8(5) . .
C21C C22C C23C O6C -179.6(8) . .
C21C C22C C23C C24C -0.8(12) . .
Ga1 O5C C24C C19C -171.0(5) . .
Ga1 O5C C24C C23C 9.1(7) . .
C20C C19C C24C O5C -177.9(6) . .
C18C C19C C24C O5C 2.5(10) . .
C20C C19C C24C C23C 2.0(10) . .
C18C C19C C24C C23C -177.6(6) . .
O6C C23C C24C O5C -1.4(9) . .
C22C C23C C24C O5C 179.8(7) . .
O6C C23C C24C C19C 178.8(6) . .
C22C C23C C24C C19C -0.1(11) . .
O1E Ga3 O1D C2D -86.2(5) . .
O1F Ga3 O1D C2D -176.0(4) . .
O2D Ga3 O1D C2D 8.6(4) . .
O2F Ga3 O1D C2D 100.5(4) . .
O1E Ga3 O1D K3 19.6(2) . .
O1F Ga3 O1D K3 -70.1(2) . .
O2D Ga3 O1D K3 114.45(19) . .
O2F Ga3 O1D K3 -153.67(18) . .
O1E K3 O1D C2D 97.1(4) . .
O3B K3 O1D C2D -82.3(4) 1_655 .
O1O K3 O1D C2D 168.3(4) . .
O1S K3 O1D C2D 31.2(5) . .
C7B K3 O1D C2D -74.5(4) 1_655 .
O1E K3 O1D Ga3 -16.79(18) . .
O3B K3 O1D Ga3 163.84(19) 1_655 .
O1O K3 O1D Ga3 54.4(3) . .
O1S K3 O1D Ga3 -82.7(3) . .
C7B K3 O1D Ga3 171.59(18) 1_655 .
O1E Ga3 O2D C1D 78.6(4) . .
O1D Ga3 O2D C1D -9.1(4) . .
O2F Ga3 O2D C1D -104.6(4) . .
O2E Ga3 O2D C1D 162.2(4) . .
O5C Ga1 O5D C24D 165.4(4) . .
O6D Ga1 O5D C24D -7.6(4) . .
O6C Ga1 O5D C24D 81.9(4) . .
O2B Ga1 O5D C24D -100.9(4) . .
O1B Ga1 O6D C23D -177.3(5) . .
O5D Ga1 O6D C23D 6.7(4) . .
O6C Ga1 O6D C23D -89.0(5) . .
O2B Ga1 O6D C23D 100.0(5) . .
O1B Ga1 O6D K1 -73.7(2) . .
O5D Ga1 O6D K1 110.2(2) . .
O6C Ga1 O6D K1 14.6(2) . .
O2B Ga1 O6D K1 -156.51(19) . .
O6C K1 O6D C23D 102.0(4) . .
O1R K1 O6D C23D -76.1(4) 2_557 .
O1P K1 O6D C23D -176.1(4) . .
O1T K1 O6D C23D -5.0(5) . .
O1R K1 O6D C23D -125.0(4) . .
K1 K1 O6D C23D -100.5(4) 2_557 .
O6C K1 O6D Ga1 -12.39(18) . .
O1R K1 O6D Ga1 169.5(2) 2_557 .
O1P K1 O6D Ga1 69.5(2) . .
O1T K1 O6D Ga1 -119.4(4) . .
O1R K1 O6D Ga1 120.6(3) . .
K1 K1 O6D Ga1 145.1(2) 2_557 .
Ga3 O2D C1D C6D -171.8(5) . .
Ga3 O2D C1D C2D 8.2(6) . .
Ga3 O1D C2D C3D 172.2(7) . .
K3 O1D C2D C3D 67.7(8) . .
Ga3 O1D C2D C1D -6.5(7) . .
K3 O1D C2D C1D -111.1(5) . .
O2D C1D C2D O1D -1.2(9) . .
C6D C1D C2D O1D 178.8(6) . .
O2D C1D C2D C3D 180.0(7) . .
C6D C1D C2D C3D 0.0(10) . .
O1D C2D C3D C4D 179.6(9) . .
C1D C2D C3D C4D -1.6(14) . .
C2D C3D C4D C5D 2.7(17) . .
C3D C4D C5D C6D -2.1(16) . .
O2D C1D C6D C5D -179.4(7) . .
C2D C1D C6D C5D 0.6(10) . .
O2D C1D C6D C7D 5.9(10) . .
C2D C1D C6D C7D -174.1(6) . .
C4D C5D C6D C1D 0.5(13) . .
C4D C5D C6D C7D 175.4(8) . .
C8D N1D C7D O3D -4.3(12) . .
C8D N1D C7D C6D 177.0(6) . .
C1D C6D C7D O3D -179.7(7) . .
C5D C6D C7D O3D 5.5(11) . .
C1D C6D C7D N1D -0.9(10) . .
C5D C6D C7D N1D -175.7(7) . .
C7D N1D C8D C9D 30.5(12) . .
C7D N1D C8D C13D -151.1(7) . .
N1D C8D C9D C10D -178.4(10) . .
C13D C8D C9D C10D 3.2(17) . .
C8D C9D C10D C11D -1(2) . .
C9D C10D C11D C12D -1.8(19) . .
C10D C11D C12D C17D -179.7(10) . .
C10D C11D C12D C13D 2.3(13) . .
C17D C12D C13D C14D -0.8(10) . .
C11D C12D C13D C14D 177.2(8) . .
C17D C12D C13D C8D -178.2(6) . .
C11D C12D C13D C8D -0.2(10) . .
C9D C8D C13D C14D -179.9(9) . .
N1D C8D C13D C14D 1.6(10) . .
C9D C8D C13D C12D -2.6(12) . .
N1D C8D C13D C12D 178.9(6) . .
C12D C13D C14D C15D 4.0(13) . .
C8D C13D C14D C15D -178.7(9) . .
C13D C14D C15D C16D -4.0(17) . .
C14D C15D C16D C17D 0.5(18) . .
C15D C16D C17D C12D 2.8(15) . .
C15D C16D C17D N2D -178.9(9) . .
C13D C12D C17D C16D -2.5(11) . .
C11D C12D C17D C16D 179.5(8) . .
C13D C12D C17D N2D 179.0(6) . .
C11D C12D C17D N2D 1.0(10) . .
C18D N2D C17D C16D 20.8(12) . .
C18D N2D C17D C12D -160.8(7) . .
C17D N2D C18D O4D 0.6(14) . .
C17D N2D C18D C19D 179.2(7) . .
O4D C18D C19D C24D -180.0(9) . .
N2D C18D C19D C24D 1.3(12) . .
O4D C18D C19D C20D -1.2(14) . .
N2D C18D C19D C20D -179.9(9) . .
C24D C19D C20D C21D -3.0(17) . .
C18D C19D C20D C21D 178.2(11) . .
C19D C20D C21D C22D -1(2) . .
C20D C21D C22D C23D 2.7(19) . .
Ga1 O6D C23D C22D 175.4(8) . .
K1 O6D C23D C22D 71.4(9) . .
Ga1 O6D C23D C24D -4.7(8) . .
K1 O6D C23D C24D -108.6(6) . .
C21D C22D C23D O6D -180.0(10) . .
C21D C22D C23D C24D 0.1(16) . .
Ga1 O5D C24D C19D -170.1(6) . .
Ga1 O5D C24D C23D 7.3(7) . .
C20D C19D C24D O5D -177.1(8) . .
C18D C19D C24D O5D 1.7(12) . .
C20D C19D C24D C23D 5.6(12) . .
C18D C19D C24D C23D -175.7(8) . .
O6D C23D C24D O5D -1.8(10) . .
C22D C23D C24D O5D 178.1(8) . .
O6D C23D C24D C19D 175.8(7) . .
C22D C23D C24D C19D -4.3(12) . .
O1F Ga3 O1E C2E -84.5(5) . .
O1D Ga3 O1E C2E -175.7(5) . .
O2D Ga3 O1E C2E 100.5(5) . .
O2E Ga3 O1E C2E 8.4(5) . .
O1F Ga3 O1E K3 69.7(2) . .
O1D Ga3 O1E K3 -21.5(2) . .
O2D Ga3 O1E K3 -105.3(2) . .
O2E Ga3 O1E K3 162.7(2) . .
O3B K3 O1E C2E 164.2(6) 1_655 .
O1N K3 O1E C2E -27.5(7) . .
O1O K3 O1E C2E 60.7(7) . .
O1D K3 O1E C2E 162.5(7) . .
O1S K3 O1E C2E -89.3(7) . .
O3B K3 O1E Ga3 19.1(6) 1_655 .
O1N K3 O1E Ga3 -172.7(3) . .
O1O K3 O1E Ga3 -84.4(3) . .
O1D K3 O1E Ga3 17.35(19) . .
O1S K3 O1E Ga3 125.6(4) . .
O1E Ga3 O2E C1E -8.7(4) . .
O1F Ga3 O2E C1E 80.7(4) . .
O2D Ga3 O2E C1E -103.1(4) . .
O2F Ga3 O2E C1E 164.3(4) . .
O6E Ga4 O5E C24E -5.0(4) . .
O5B Ga4 O5E C24E 168.3(4) . .
O2A Ga4 O5E C24E -98.0(4) . .
O6B Ga4 O5E C24E 84.7(5) . .
O5E Ga4 O6E C23E 4.6(5) . .
O1A Ga4 O6E C23E -179.2(5) . .
O2A Ga4 O6E C23E 98.4(5) . .
O6B Ga4 O6E C23E -90.2(5) . .
Ga3 O2E C1E C6E -171.1(6) . .
Ga3 O2E C1E C2E 7.3(7) . .
Ga3 O1E C2E C3E 172.9(7) . .
K3 O1E C2E C3E 29.2(12) . .
Ga3 O1E C2E C1E -7.0(8) . .
K3 O1E C2E C1E -150.6(5) . .
O2E C1E C2E O1E -0.3(10) . .
C6E C1E C2E O1E 178.1(7) . .
O2E C1E C2E C3E 179.9(7) . .
C6E C1E C2E C3E -1.7(11) . .
O1E C2E C3E C4E 178.6(9) . .
C1E C2E C3E C4E -1.6(13) . .
C2E C3E C4E C5E 0.7(16) . .
C3E C4E C5E C6E 3.5(18) . .
O2E C1E C6E C5E -176.2(8) . .
C2E C1E C6E C5E 5.6(11) . .
O2E C1E C6E C7E 2.6(12) . .
C2E C1E C6E C7E -175.6(7) . .
C4E C5E C6E C1E -6.7(15) . .
C4E C5E C6E C7E 174.5(10) . .
K2 O3E C7E N1E 119.1(6) 1_545 .
K2 O3E C7E C6E -64.4(8) 1_545 .
C8E N1E C7E O3E -5.3(11) . .
C8E N1E C7E C6E 178.1(6) . .
C8E N1E C7E K2 55.2(9) . 1_545
C1E C6E C7E O3E 179.1(7) . .
C5E C6E C7E O3E -2.2(12) . .
C1E C6E C7E N1E -4.3(11) . .
C5E C6E C7E N1E 174.5(8) . .
C1E C6E C7E K2 136.6(7) . 1_545
C5E C6E C7E K2 -44.7(8) . 1_545
C7E N1E C8E C9E 38.3(11) . .
C7E N1E C8E C13E -142.4(7) . .
N1E C8E C9E C10E -178.8(9) . .
C13E C8E C9E C10E 1.9(14) . .
C8E C9E C10E C11E -1.4(17) . .
C9E C10E C11E C12E 1.4(16) . .
C10E C11E C12E C17E -179.8(8) . .
C10E C11E C12E C13E -1.9(12) . .
C9E C8E C13E C14E 179.5(8) . .
N1E C8E C13E C14E 0.2(10) . .
C9E C8E C13E C12E -2.4(10) . .
N1E C8E C13E C12E 178.3(6) . .
C11E C12E C13E C8E 2.4(10) . .
C17E C12E C13E C8E -179.6(6) . .
C11E C12E C13E C14E -179.4(7) . .
C17E C12E C13E C14E -1.4(10) . .
C8E C13E C14E C15E 179.4(9) . .
C12E C13E C14E C15E 1.2(12) . .
C13E C14E C15E C16E 0.1(16) . .
C14E C15E C16E C17E -1.2(17) . .
C15E C16E C17E N2E -179.6(9) . .
C15E C16E C17E C12E 1.0(14) . .
C18E N2E C17E C16E 10.9(12) . .
C18E N2E C17E C12E -169.6(6) . .
C11E C12E C17E C16E 178.2(8) . .
C13E C12E C17E C16E 0.3(10) . .
C11E C12E C17E N2E -1.3(10) . .
C13E C12E C17E N2E -179.2(6) . .
C17E N2E C18E O4E -1.4(11) . .
C17E N2E C18E C19E 176.0(6) . .
O4E C18E C19E C20E 5.5(10) . .
N2E C18E C19E C20E -171.9(6) . .
O4E C18E C19E C24E -174.1(6) . .
N2E C18E C19E C24E 8.5(10) . .
C24E C19E C20E C21E -2.1(10) . .
C18E C19E C20E C21E 178.3(6) . .
C19E C20E C21E C22E 1.7(11) . .
C20E C21E C22E C23E -3.2(11) . .
Ga4 O6E C23E C22E 178.0(6) . .
Ga4 O6E C23E C24E -3.5(8) . .
C21E C22E C23E O6E -176.7(7) . .
C21E C22E C23E C24E 4.9(11) . .
Ga4 O5E C24E C19E -172.2(6) . .
Ga4 O5E C24E C23E 4.4(7) . .
C20E C19E C24E O5E -179.7(6) . .
C18E C19E C24E O5E -0.1(11) . .
C20E C19E C24E C23E 3.7(10) . .
C18E C19E C24E C23E -176.7(6) . .
O6E C23E C24E O5E -0.6(9) . .
C22E C23E C24E O5E 177.9(6) . .
O6E C23E C24E C19E 176.3(6) . .
C22E C23E C24E C19E -5.1(10) . .
O1E Ga3 O1F C2F 177.4(4) . .
O1D Ga3 O1F C2F -94.5(4) . .
O2F Ga3 O1F C2F 1.2(4) . .
O2E Ga3 O1F C2F 94.0(4) . .
O1F Ga3 O2F C1F -1.4(4) . .
O1D Ga3 O2F C1F 89.2(4) . .
O2D Ga3 O2F C1F 173.4(4) . .
O2E Ga3 O2F C1F -93.9(4) . .
O5A Ga2 O5F C24F 169.4(4) . .
O6A Ga2 O5F C24F 86.0(4) . .
O2C Ga2 O5F C24F -97.4(4) . .
O6F Ga2 O5F C24F -3.6(4) . .
O5F Ga2 O6F C23F 2.1(4) . .
O1C Ga2 O6F C23F 179.4(4) . .
O6A Ga2 O6F C23F -92.6(4) . .
O2C Ga2 O6F C23F 96.2(4) . .
O5F Ga2 O6F K2 139.62(16) . .
O1C Ga2 O6F K2 -43.08(17) . .
O6A Ga2 O6F K2 45.00(17) . .
O2C Ga2 O6F K2 -126.23(16) . .
O1V K2 O6F C23F 15.7(10) . .
O1X K2 O6F C23F 127.0(14) . .
O1W K2 O6F C23F -170(3) . .
O1C K2 O6F C23F 151.7(6) . .
O6A K2 O6F C23F 82.3(6) . .
O3E K2 O6F C23F -88.7(6) 1_565 .
O1Q K2 O6F C23F 24.6(8) . .
C7E K2 O6F C23F -70.6(6) 1_565 .
O1V K2 O6F Ga2 -102.2(9) . .
O1X K2 O6F Ga2 9.0(13) . .
O1W K2 O6F Ga2 72(3) . .
O1C K2 O6F Ga2 33.77(15) . .
O6A K2 O6F Ga2 -35.68(14) . .
O3E K2 O6F Ga2 153.34(17) 1_565 .
O1Q K2 O6F Ga2 -93.3(6) . .
C7E K2 O6F Ga2 171.49(17) 1_565 .
Ga3 O2F C1F C6F -176.0(5) . .
Ga3 O2F C1F C2F 1.3(6) . .
Ga3 O1F C2F C3F 179.2(6) . .
Ga3 O1F C2F C1F -0.8(7) . .
O2F C1F C2F C3F 179.7(6) . .
C6F C1F C2F C3F -2.9(10) . .
O2F C1F C2F O1F -0.4(8) . .
C6F C1F C2F O1F 177.0(5) . .
O1F C2F C3F C4F 179.4(7) . .
C1F C2F C3F C4F -0.7(11) . .
C2F C3F C4F C5F 2.3(12) . .
C3F C4F C5F C6F -0.4(12) . .
O2F C1F C6F C5F -178.0(6) . .
C2F C1F C6F C5F 4.7(9) . .
O2F C1F C6F C7F -1.4(10) . .
C2F C1F C6F C7F -178.7(6) . .
C4F C5F C6F C1F -3.2(10) . .
C4F C5F C6F C7F 180.0(7) . .
C8F N1F C7F O3F -4.0(11) . .
C8F N1F C7F C6F 175.6(6) . .
C1F C6F C7F O3F -174.4(6) . .
C5F C6F C7F O3F 2.2(10) . .
C1F C6F C7F N1F 6.0(10) . .
C5F C6F C7F N1F -177.4(6) . .
C7F N1F C8F C9F 20.6(11) . .
C7F N1F C8F C13F -162.0(6) . .
N1F C8F C9F C10F -176.8(9) . .
C13F C8F C9F C10F 5.9(14) . .
C8F C9F C10F C11F -7.1(18) . .
C9F C10F C11F C12F 4.5(16) . .
C10F C11F C12F C13F -1.0(11) . .
C10F C11F C12F C17F 178.6(8) . .
C9F C8F C13F C14F 179.0(8) . .
N1F C8F C13F C14F 1.5(9) . .
C9F C8F C13F C12F -2.3(10) . .
N1F C8F C13F C12F -179.7(5) . .
C11F C12F C13F C14F 178.7(6) . .
C17F C12F C13F C14F -1.0(8) . .
C11F C12F C13F C8F -0.1(8) . .
C17F C12F C13F C8F -179.7(5) . .
C8F C13F C14F C15F -177.8(7) . .
C12F C13F C14F C15F 3.5(10) . .
C13F C14F C15F C16F -4.5(13) . .
C14F C15F C16F C17F 2.9(14) . .
C15F C16F C17F N2F 178.8(7) . .
C15F C16F C17F C12F -0.3(12) . .
C18F N2F C17F C16F 16.3(10) . .
C18F N2F C17F C12F -164.5(5) . .
C11F C12F C17F C16F 179.8(7) . .
C13F C12F C17F C16F -0.6(9) . .
C11F C12F C17F N2F 0.6(9) . .
C13F C12F C17F N2F -179.8(5) . .
C17F N2F C18F O4F -2.3(9) . .
C17F N2F C18F C19F 178.3(5) . .
O4F C18F C19F C20F 6.0(9) . .
N2F C18F C19F C20F -174.6(5) . .
O4F C18F C19F C24F -176.4(6) . .
N2F C18F C19F C24F 3.1(8) . .
C24F C19F C20F C21F 0.6(10) . .
C18F C19F C20F C21F 178.5(6) . .
C19F C20F C21F C22F -1.5(11) . .
C20F C21F C22F C23F 0.7(12) . .
Ga2 O6F C23F C22F 179.1(6) . .
K2 O6F C23F C22F 69.9(9) . .
Ga2 O6F C23F C24F -0.3(7) . .
K2 O6F C23F C24F -109.5(5) . .
C21F C22F C23F O6F -178.4(6) . .
C21F C22F C23F C24F 1.0(11) . .
Ga2 O5F C24F C19F -176.1(4) . .
Ga2 O5F C24F C23F 4.4(6) . .
C20F C19F C24F O5F -178.5(6) . .
C18F C19F C24F O5F 3.9(9) . .
C20F C19F C24F C23F 1.0(9) . .
C18F C19F C24F C23F -176.6(6) . .
O6F C23F C24F O5F -2.8(8) . .
C22F C23F C24F O5F 177.7(6) . .
O6F C23F C24F C19F 177.6(5) . .
C22F C23F C24F C19F -1.8(9) . .
C2G P1G C4G C5G 178.9(5) . .
C3G P1G C4G C5G -61.9(7) . .
C1G P1G C4G C5G 59.1(7) . .
P1G C4G C5G C6G -92.5(10) . .
P1G C4G C5G C10G 91.4(10) . .
C10G C5G C6G C7G -7.7(16) . .
C4G C5G C6G C7G 176.2(10) . .
C10G C5G C6G C12G 173.0(10) . .
C4G C5G C6G C12G -3.1(16) . .
C5G C6G C7G C8G 5.4(17) . .
C12G C6G C7G C8G -175.2(10) . .
C6G C7G C8G C9G -1.2(17) . .
C6G C7G C8G C13G -178.5(11) . .
C7G C8G C9G C10G -0.7(18) . .
C13G C8G C9G C10G 176.3(12) . .
C8G C9G C10G C5G -1.5(17) . .
C8G C9G C10G C11G 178.5(11) . .
C6G C5G C10G C9G 5.6(15) . .
C4G C5G C10G C9G -178.3(9) . .
C6G C5G C10G C11G -174.4(10) . .
C4G C5G C10G C11G 1.8(16) . .
C1H P1H C4H C5H -62.7(7) . .
C3H P1H C4H C5H 58.5(7) . .
C2H P1H C4H C5H 178.3(6) . .
P1H C4H C5H C10H -90.9(8) . .
P1H C4H C5H C6H 88.4(7) . .
C10H C5H C6H C7H -4.1(14) . .
C4H C5H C6H C7H 176.6(11) . .
C10H C5H C6H C12H 179.5(10) . .
C4H C5H C6H C12H 0.2(11) . .
C5H C6H C7H C8H 4(2) . .
C12H C6H C7H C8H -179.5(15) . .
C6H C7H C8H C9H 0(3) . .
C6H C7H C8H C13H 178.4(19) . .
C7H C8H C9H C10H -5(3) . .
C13H C8H C9H C10H 177.3(19) . .
C8H C9H C10H C5H 4(2) . .
C8H C9H C10H C11H -174.8(16) . .
C6H C5H C10H C9H 0.1(15) . .
C4H C5H C10H C9H 179.4(10) . .
C6H C5H C10H C11H 179.0(9) . .
C4H C5H C10H C11H -1.7(14) . .
C1I P1I C4I C5I 71.8(7) . .
C3I P1I C4I C5I -51.0(8) . .
C2I P1I C4I C5I -168.7(6) . .
P1I C4I C5I C6I -92.9 . .
P1I C4I C5I C10I 89.9 . .
C10I C5I C6I C7I -6.3 . .
C4I C5I C6I C7I 176.3 . .
C10I C5I C6I C12I 174.2 . .
C4I C5I C6I C12I -3.2 . .
C5I C6I C7I C8I 5.8 . .
C12I C6I C7I C8I -174.6 . .
C6I C7I C8I C9I -4.3 . .
C6I C7I C8I C13I -176.1 . .
C7I C8I C9I C10I 3.3 . .
C13I C8I C9I C10I 174.7 . .
C8I C9I C10I C5I -3.7 . .
C8I C9I C10I C11I 178.9 . .
C6I C5I C10I C9I 5.1 . .
C4I C5I C10I C9I -177.6 . .
C6I C5I C10I C11I -177.5 . .
C4I C5I C10I C11I -0.2 . .
C2J P1J C4J C5J -158.1(4) . .
C3J P1J C4J C5J -30.8(5) . .
C1J P1J C4J C5J 84.1(5) . .
P1J C4J C5J C6J -92.9 . .
P1J C4J C5J C10J 89.9 . .
C10J C5J C6J C7J -6.2 . .
C4J C5J C6J C7J 176.4 . .
C10J C5J C6J C12J 174.2 . .
C4J C5J C6J C12J -3.2 . .
C5J C6J C7J C8J 5.7 . .
C12J C6J C7J C8J -174.6 . .
C6J C7J C8J C9J -4.2 . .
C6J C7J C8J C13J -176.0 . .
C7J C8J C9J C10J 3.4 . .
C13J C8J C9J C10J 174.7 . .
C8J C9J C10J C5J -3.7 . .
C8J C9J C10J C11J 178.8 . .
C6J C5J C10J C9J 5.1 . .
C4J C5J C10J C9J -177.6 . .
C6J C5J C10J C11J -177.5 . .
C4J C5J C10J C11J -0.2 . .
C2L P1L C4L C5L -175.2(6) . .
C4M P1L C4L C5L -51.4(8) . .
C3L P1L C4L C5L 65.4(8) . .
P1L C4L C5L C6L 90.8(6) . .
P1L C4L C5L C10L -89.4(7) . .
C10L C5L C6L C7L 0.0 . .
C4L C5L C6L C7L 179.8(5) . .
C10L C5L C6L C12L -166.3(8) . .
C4L C5L C6L C12L 13.5(7) . .
C5L C6L C7L C8L 0.0 . .
C12L C6L C7L C8L 166.6(7) . .
C6L C7L C8L C9L 0.0 . .
C6L C7L C8L C13L 172.2(7) . .
C7L C8L C9L C10L 0.0 . .
C13L C8L C9L C10L -171.8(7) . .
C8L C9L C10L C5L 0.0 . .
C8L C9L C10L C11L -168.6(7) . .
C6L C5L C10L C9L 0.0 . .
C4L C5L C10L C9L -179.8(5) . .
C6L C5L C10L C11L 167.7(8) . .
C4L C5L C10L C11L -12.1(8) . .
C2L P1L C4M C5M 170.7(9) . .
C4L P1L C4M C5M 46.9(10) . .
C3L P1L C4M C5M -70.2(10) . .
P1L C4M C5M C6M -87.9(9) . .
P1L C4M C5M C10M 91.3(10) . .
C8M C9M C10M C11M 167.3(13) . .
C8M C9M C10M C5M 3(2) . .
C6M C5M C10M C9M -2.2(16) . .
C4M C5M C10M C9M 178.4(11) . .
C6M C5M C10M C11M -166.8(11) . .
C4M C5M C10M C11M 13.8(15) . .
O1E K3 O1N C1N 124(2) . .
O3B K3 O1N C1N -60(2) 1_655 .
O1O K3 O1N C1N 48(2) . .
O1S K3 O1N C1N -176(2) . .
C7B K3 O1N C1N -65(2) 1_655 .
K3 O1N C1N N1N -50(3) . .
C2N N1N C1N O1N 178.9(13) . .
C3N N1N C1N O1N 6(2) . .
O1E K3 O1O C1O -165(3) . .
O3B K3 O1O C1O 37(3) 1_655 .
O1N K3 O1O C1O -43(3) . .
O1D K3 O1O C1O 136(3) . .
O1S K3 O1O C1O -122(3) . .
C7B K3 O1O C1O 17(3) 1_655 .
O6C K1 O1P C1P -94.0(12) . .
O1R K1 O1P C1P 102.6(12) 2_557 .
O1U K1 O1P C1P 17.4(12) . .
O6D K1 O1P C1P -156.1(12) . .
O1T K1 O1P C1P 64(2) . .
O1R K1 O1P C1P 157.8(12) . .
K1 K1 O1P C1P 131.2(12) 2_557 .
O1V K2 O1Q C1Q -175(3) . .
O1X K2 O1Q C1Q 54(2) . .
O1W K2 O1Q C1Q 4(3) . .
O1C K2 O1Q C1Q 92(2) . .
O6A K2 O1Q C1Q 127(2) . .
O3E K2 O1Q C1Q -73(2) 1_565 .
O6F K2 O1Q C1Q 174.5(18) . .
C7E K2 O1Q C1Q -76(2) 1_565 .
O6C K1 O1R K1 168.6(2) . 2_557
O1R K1 O1R K1 0.000(1) 2_557 2_557
O1U K1 O1R K1 -61.9(4) . 2_557
O1P K1 O1R K1 -120.6(3) . 2_557
O6D K1 O1R K1 128.2(3) . 2_557
O1T K1 O1R K1 43.5(3) . 2_557
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 0.024 0.438 0.158 4892 1682 'Solvent and cations'
2 0.062 0.880 0.089 7 14 'H2O or MeOH'
3 0.937 0.120 0.911 7 14 'H2O or MeOH'
