#------------------------------------------------------------------------------
#$Date: 2016-02-16 02:10:39 +0100 (mar 16 de feb de 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/62/7006232.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_7006232
loop_
_publ_author_name
'Park, Mira'
'John, Rohith P.'
'Moon, Dohyun'
'Lee, Kyungjin'
'Kim, Ghyung Hwa'
'Lah, Myoung Soo'
_publ_section_title
;
 Two octanuclear gallium metallamacrocycles of topologically different
 connectivities.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5412
_journal_page_last               5418
_journal_paper_doi               10.1039/b710531b
_journal_year                    2007
_chemical_formula_sum            'C252 H363 Ga16 N32 O81.5'
_chemical_formula_weight         6260.26
_chemical_name_systematic
;
?
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 127.10(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   49.314(10)
_cell_length_b                   19.934(4)
_cell_length_c                   36.554(7)
_cell_measurement_reflns_used    74658
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      30.29
_cell_measurement_theta_min      1.65
_cell_volume                     28660(15)
_computing_cell_refinement       HKL2000
_computing_data_collection       'PAL ADSC Quantum-210 ADX Program'
_computing_data_reduction        HKL2000
_computing_molecular_graphics    ORTEP3
_computing_publication_material  WinGX
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi scans'
_diffrn_radiation_monochromator  'Pt coated Si double crystal'
_diffrn_radiation_source         'Fixed gap multiple wiggler beamline'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.70000
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0450
_diffrn_reflns_limit_h_max       70
_diffrn_reflns_limit_h_min       -70
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       52
_diffrn_reflns_limit_l_min       -52
_diffrn_reflns_number            74658
_diffrn_reflns_theta_full        30.29
_diffrn_reflns_theta_max         30.29
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    1.563
_exptl_absorpt_correction_T_max  0.6960
_exptl_absorpt_correction_T_min  0.6513
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   HKL2000-Scalepack
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             12988
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.386
_refine_diff_density_min         -1.127
_refine_diff_density_rms         0.095
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00
_refine_ls_extinction_coef       0.00113(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.986
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3511
_refine_ls_number_reflns         74658
_refine_ls_number_restraints     272
_refine_ls_restrained_S_all      0.993
_refine_ls_R_factor_all          0.0732
_refine_ls_R_factor_gt           0.0550
_refine_ls_shift/su_max          0.035
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1148P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1484
_refine_ls_wR_factor_ref         0.1607
_reflns_number_gt                57095
_reflns_number_total             74658
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b710531b.txt
_cod_data_source_block           p6_29mo_complex1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        28660(10)
_cod_original_sg_symbol_H-M      Cc
_cod_original_formula_sum        'C252 H363 Ga16 N32 O81.50'
_cod_database_code               7006232
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
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
Ga1 Ga 0.876453(10) 0.06840(2) 1.009032(13) 0.03624(8) Uani 1 1 d . B .
O1A O 0.84138(8) 0.02280(16) 1.00731(11) 0.0472(7) Uani 1 1 d . . .
O2A O 0.83405(8) -0.04588(17) 0.89039(10) 0.0481(7) Uani 1 1 d . B .
O3A O 0.90921(7) 0.10572(16) 1.00045(10) 0.0426(6) Uani 1 1 d . B .
O4A O 0.90660(9) -0.01717(18) 1.03742(12) 0.0545(8) Uani 1 1 d . . .
N1A N 0.85827(7) 0.03199(17) 0.94762(11) 0.0361(6) Uani 1 1 d . . .
N2A N 0.87818(8) 0.04748(18) 0.93332(11) 0.0384(6) Uani 1 1 d . B .
C1A C 0.82159(10) -0.0274(2) 0.97968(16) 0.0439(8) Uani 1 1 d . B .
C2A C 0.81750(10) -0.0470(2) 0.93909(15) 0.0419(8) Uani 1 1 d . . .
C3A C 0.79517(12) -0.1000(3) 0.91319(19) 0.0539(10) Uani 1 1 d . B .
H3A H 0.7925 -0.1139 0.8864 0.065 Uiso 1 1 calc R . .
C4A C 0.77703(17) -0.1324(3) 0.9251(2) 0.0742(18) Uani 1 1 d . . .
H4A H 0.7618 -0.1675 0.9064 0.089 Uiso 1 1 calc R B .
C5A C 0.78122(17) -0.1133(3) 0.9648(3) 0.0754(18) Uani 1 1 d . B .
H5A H 0.7688 -0.1358 0.9733 0.091 Uiso 1 1 calc R . .
C6A C 0.80321(14) -0.0621(3) 0.9918(2) 0.0580(12) Uani 1 1 d . . .
H6A H 0.8060 -0.0501 1.0191 0.070 Uiso 1 1 calc R B .
C7A C 0.83720(9) -0.01915(19) 0.92481(13) 0.0373(7) Uani 1 1 d . B .
C8A C 0.90449(9) 0.0839(2) 0.96375(14) 0.0415(8) Uani 1 1 d D . .
C9A C 0.93066(12) 0.0998(3) 0.95674(18) 0.0626(14) Uani 1 1 d D A .
C10A C 0.9345(2) 0.1768(5) 0.9534(4) 0.120(4) Uani 0.50 1 d PD A 1
C11A C 0.9724(3) 0.1965(8) 0.9870(6) 0.103(6) Uani 0.50 1 d PD A 1
C12A C 0.9902(2) 0.1278(8) 1.0014(7) 0.215(10) Uani 0.50 1 d PD A 1
C13A C 0.96622(17) 0.0743(6) 0.9968(3) 0.114(3) Uani 1 1 d D . .
C20A C 0.9345(2) 0.1768(5) 0.9534(4) 0.120(4) Uani 0.50 1 d PD A 2
C21A C 0.9698(4) 0.1703(10) 0.9586(8) 0.125(9) Uani 0.50 1 d PD A 2
C22A C 0.9902(2) 0.1278(8) 1.0014(7) 0.215(10) Uani 0.50 1 d PD A 2
C14A C 0.9302(5) -0.0323(9) 1.0844(4) 0.090(5) Uani 0.50 1 d P B 1
C15A C 0.9547(9) -0.0803(19) 1.1012(13) 0.167(11) Uiso 0.50 1 d P B 1
C16A C 0.9444(5) -0.0155(10) 1.0763(7) 0.093(5) Uani 0.50 1 d P B 2
Ga2 Ga 0.863097(11) -0.00688(2) 0.876242(15) 0.04257(10) Uani 1 1 d . . .
O1B O 0.90004(9) -0.06828(16) 0.91203(12) 0.0517(7) Uani 1 1 d . B .
O2B O 0.91574(8) 0.02954(17) 0.82235(11) 0.0473(7) Uani 1 1 d . B .
O3B O 0.82834(7) 0.05894(18) 0.83294(10) 0.0469(7) Uani 1 1 d . B .
O4B O 0.83891(12) -0.0757(2) 0.82229(14) 0.0732(12) Uani 1 1 d . B .
N1B N 0.88487(8) 0.03240(18) 0.84987(12) 0.0404(7) Uani 1 1 d . B .
N2B N 0.86378(8) 0.07641(17) 0.81313(11) 0.0387(6) Uani 1 1 d . . .
C1B C 0.92945(13) -0.0693(2) 0.91770(18) 0.0508(10) Uani 1 1 d . . .
C2B C 0.93547(12) -0.0349(3) 0.88940(16) 0.0514(10) Uani 1 1 d . B .
C3B C 0.96752(15) -0.0412(4) 0.8984(2) 0.0738(17) Uani 1 1 d . . .
H3B H 0.9714 -0.0194 0.8788 0.089 Uiso 1 1 calc R B .
C4B C 0.9930(2) -0.0778(5) 0.9346(3) 0.101(3) Uani 1 1 d . B .
H4B H 1.0148 -0.0793 0.9412 0.121 Uiso 1 1 calc R . .
C5B C 0.9867(2) -0.1134(4) 0.9619(3) 0.088(2) Uani 1 1 d . . .
H5B H 1.0039 -0.1413 0.9860 0.106 Uiso 1 1 calc R B .
C6B C 0.95585(17) -0.1081(3) 0.9538(2) 0.0668(14) Uani 1 1 d . B .
H6B H 0.9522 -0.1313 0.9732 0.080 Uiso 1 1 calc R . .
C7B C 0.91057(10) 0.0102(2) 0.85167(15) 0.0424(8) Uani 1 1 d . . .
C8B C 0.83498(10) 0.0871(3) 0.80746(14) 0.0469(9) Uani 1 1 d D B .
C9B C 0.8092(2) 0.1268(8) 0.7684(4) 0.054(3) Uani 0.641(14) 1 d PD B 1
C10B C 0.7870(2) 0.1703(5) 0.7760(3) 0.066(3) Uani 0.641(14) 1 d PD B 1
C11B C 0.75408(19) 0.1852(5) 0.7264(4) 0.124(4) Uani 0.641(14) 1 d PD B 1
C12B C 0.7535(2) 0.1363(7) 0.6951(3) 0.092(4) Uani 0.641(14) 1 d PD B 1
C13B C 0.78100(17) 0.0826(6) 0.7276(2) 0.074(3) Uani 0.641(14) 1 d PD B 1
C19B C 0.8094(5) 0.1379(13) 0.7706(11) 0.081(11) Uani 0.359(14) 1 d PD B 2
C20B C 0.7718(5) 0.1102(8) 0.7435(8) 0.091(7) Uiso 0.359(14) 1 d PD B 2
C21B C 0.75408(19) 0.1852(5) 0.7264(4) 0.124(4) Uani 0.359(14) 1 d PD B 2
C22B C 0.7701(5) 0.2209(12) 0.7692(7) 0.110(8) Uiso 0.359(14) 1 d PD B 2
C23B C 0.8080(4) 0.2035(9) 0.7926(7) 0.083(6) Uiso 0.359(14) 1 d PD B 2
C14B C 0.8334(3) -0.1416(5) 0.8274(4) 0.056(2) Uani 0.50 1 d P B 1
C24B C 0.8104(3) -0.1108(8) 0.8020(4) 0.074(4) Uani 0.50 1 d P B 2
Ga3 Ga 0.885071(11) 0.09882(2) 0.780709(15) 0.04220(10) Uani 1 1 d . B .
O1C O 0.85238(9) 0.04371(18) 0.72948(11) 0.0532(7) Uani 1 1 d . . .
O2C O 0.83204(9) 0.24445(19) 0.67831(11) 0.0547(8) Uani 1 1 d . B .
O3C O 0.91510(7) 0.16957(17) 0.82422(10) 0.0494(7) Uani 1 1 d . . .
O4C O 0.91509(10) 0.0968(2) 0.75823(14) 0.0639(10) Uani 1 1 d . . .
N1C N 0.86227(8) 0.18034(19) 0.74279(11) 0.0419(7) Uani 1 1 d . . .
N2C N 0.88026(9) 0.2399(2) 0.76455(12) 0.0460(8) Uani 1 1 d . B .
C1C C 0.82871(11) 0.0616(3) 0.68565(16) 0.0509(10) Uani 1 1 d . B .
C2C C 0.82079(12) 0.1279(3) 0.66952(15) 0.0503(9) Uani 1 1 d . . .
C3C C 0.79476(16) 0.1392(4) 0.62341(18) 0.0738(16) Uani 1 1 d . B .
H3C H 0.7890 0.1841 0.6124 0.089 Uiso 1 1 calc R . .
C4C C 0.77683(18) 0.0862(4) 0.5927(2) 0.0817(19) Uani 1 1 d . . .
H4C H 0.7591 0.0948 0.5613 0.098 Uiso 1 1 calc R B .
C5C C 0.78519(18) 0.0220(4) 0.6086(2) 0.0781(17) Uani 1 1 d . B .
H5C H 0.7735 -0.0145 0.5881 0.094 Uiso 1 1 calc R . .
C6C C 0.81052(15) 0.0101(3) 0.65416(18) 0.0601(12) Uani 1 1 d . . .
H6C H 0.8158 -0.0351 0.6646 0.072 Uiso 1 1 calc R B .
C7C C 0.83869(11) 0.1864(2) 0.69781(14) 0.0456(9) Uani 1 1 d . B .
C8C C 0.90813(11) 0.2276(3) 0.80570(16) 0.0530(11) Uani 1 1 d D B .
C9C C 0.93361(15) 0.2829(3) 0.8309(2) 0.0756(18) Uani 0.73(3) 1 d PD B 1
C10C C 0.9422(3) 0.3003(8) 0.8786(4) 0.124(7) Uani 0.73(3) 1 d PD B 1
C11C C 0.9786(3) 0.3293(8) 0.9031(5) 0.178(7) Uani 0.73(3) 1 d PD B 1
C12C C 0.9913(3) 0.3114(14) 0.8752(6) 0.34(2) Uani 1 1 d D . .
C13C C 0.96642(16) 0.2668(4) 0.8351(3) 0.106(3) Uani 1 1 d D B .
C19C C 0.93361(15) 0.2829(3) 0.8309(2) 0.0756(18) Uani 0.27(3) 1 d PD B 2
C20C C 0.9567(5) 0.2644(11) 0.8833(5) 0.067(8) Uiso 0.27(3) 1 d PD B 2
C21C C 0.9786(3) 0.3293(8) 0.9031(5) 0.178(7) Uani 0.27(3) 1 d PD B 2
C14C C 0.9271(5) 0.0336(10) 0.7525(7) 0.094(6) Uani 0.50 1 d P B 1
C24C C 0.9442(5) 0.0601(19) 0.7708(10) 0.151(15) Uani 0.50 1 d P B 2
Ga4 Ga 0.859733(13) 0.31831(3) 0.718507(17) 0.05006(11) Uani 1 1 d . . .
O1D O 0.89390(10) 0.3109(2) 0.70989(14) 0.0612(9) Uani 1 1 d . B .
O2D O 0.91484(9) 0.49457(18) 0.78225(13) 0.0576(8) Uani 1 1 d . B .
O3D O 0.82820(8) 0.34439(19) 0.73279(12) 0.0547(7) Uani 1 1 d . B .
O4D O 0.82881(13) 0.3725(2) 0.65891(13) 0.0774(12) Uani 1 1 d . B .
N1D N 0.88159(11) 0.4025(2) 0.75465(15) 0.0503(8) Uani 1 1 d . B .
N2D N 0.86424(10) 0.4321(2) 0.77008(13) 0.0501(8) Uani 1 1 d . . .
C1D C 0.92010(14) 0.3513(3) 0.72334(18) 0.0575(11) Uani 1 1 d . . .
C2D C 0.92675(13) 0.4122(3) 0.74703(19) 0.0576(12) Uani 1 1 d . B .
C3D C 0.95502(15) 0.4509(3) 0.7599(2) 0.0685(14) Uani 1 1 d . . .
H3D H 0.9594 0.4922 0.7755 0.082 Uiso 1 1 calc R B .
C4D C 0.97680(16) 0.4293(4) 0.7499(3) 0.0782(18) Uani 1 1 d . B .
H4D H 0.9960 0.4557 0.7591 0.094 Uiso 1 1 calc R . .
C5D C 0.97061(17) 0.3696(4) 0.7267(2) 0.0728(15) Uani 1 1 d . . .
H5D H 0.9855 0.3546 0.7200 0.087 Uiso 1 1 calc R B .
C6D C 0.94213(16) 0.3318(3) 0.7133(2) 0.0670(14) Uani 1 1 d . B .
H6D H 0.9376 0.2914 0.6967 0.080 Uiso 1 1 calc R . .
C7D C 0.90650(13) 0.4383(3) 0.76175(17) 0.0543(11) Uani 1 1 d . . .
C8D C 0.83701(12) 0.3985(3) 0.75668(17) 0.0544(11) Uani 1 1 d D B .
C9D C 0.81557(15) 0.4224(3) 0.7703(2) 0.0668(14) Uani 1 1 d D . .
H9D H 0.8299 0.4500 0.7988 0.080 Uiso 1 1 calc R B .
C10D C 0.7986(2) 0.3650(4) 0.7787(4) 0.105(3) Uani 1 1 d D B .
H10A H 0.8001 0.3221 0.7663 0.125 Uiso 1 1 calc R . .
H10B H 0.8099 0.3595 0.8119 0.125 Uiso 1 1 calc R . .
C11D C 0.7614(3) 0.3863(7) 0.7533(6) 0.156(6) Uani 1 1 d D . .
H11A H 0.7464 0.3592 0.7252 0.187 Uiso 1 1 calc R B .
H11B H 0.7542 0.3797 0.7732 0.187 Uiso 1 1 calc R . .
C12D C 0.7591(2) 0.4599(6) 0.7412(5) 0.128(4) Uani 1 1 d D B .
H12A H 0.7651 0.4891 0.7671 0.153 Uiso 1 1 calc R . .
H12B H 0.7361 0.4717 0.7137 0.153 Uiso 1 1 calc R . .
C13D C 0.78541(17) 0.4658(4) 0.7318(3) 0.089(2) Uani 1 1 d D B .
H13A H 0.7924 0.5130 0.7339 0.107 Uiso 1 1 calc R . .
H13B H 0.7763 0.4480 0.7011 0.107 Uiso 1 1 calc R . .
C14D C 0.8254(3) 0.3593(5) 0.6178(2) 0.107(3) Uani 1 1 d . . .
C15D C 0.8513(9) 0.4032(17) 0.6149(11) 0.301(17) Uani 1 1 d . B .
Ga5 Ga 0.886237(14) 0.52361(3) 0.799615(18) 0.05176(11) Uani 1 1 d . B .
O1E O 0.85272(11) 0.5689(2) 0.74319(13) 0.0620(9) Uani 1 1 d . . .
O2E O 0.83906(10) 0.64244(19) 0.84097(12) 0.0597(8) Uani 1 1 d . B .
O3E O 0.91614(9) 0.48807(19) 0.86281(12) 0.0563(8) Uani 1 1 d . . .
O4E O 0.91722(13) 0.6084(2) 0.82354(17) 0.0776(12) Uani 1 1 d . . .
N1E N 0.86437(11) 0.5612(2) 0.82685(13) 0.0521(9) Uani 1 1 d . . .
N2E N 0.88160(11) 0.5462(2) 0.87353(13) 0.0518(9) Uani 1 1 d . B .
C1E C 0.83361(15) 0.6232(3) 0.73740(18) 0.0611(12) Uani 1 1 d . B .
C2E C 0.82786(14) 0.6439(2) 0.76816(17) 0.0574(11) Uani 1 1 d . . .
C3E C 0.8066(2) 0.6991(3) 0.7574(2) 0.086(2) Uani 1 1 d . B .
H3E H 0.8029 0.7140 0.7787 0.103 Uiso 1 1 calc R . .
C4E C 0.7910(3) 0.7321(4) 0.7158(2) 0.105(3) Uani 1 1 d . . .
H4E H 0.7754 0.7676 0.7077 0.126 Uiso 1 1 calc R B .
C5E C 0.7984(2) 0.7127(3) 0.6857(2) 0.088(2) Uani 1 1 d . B .
H5E H 0.7888 0.7368 0.6579 0.105 Uiso 1 1 calc R . .
C6E C 0.81929(19) 0.6599(3) 0.6959(2) 0.0731(16) Uani 1 1 d . . .
H6E H 0.8244 0.6473 0.6756 0.088 Uiso 1 1 calc R B .
C7E C 0.84404(13) 0.6137(2) 0.81378(16) 0.0515(10) Uani 1 1 d . B .
C8E C 0.90857(14) 0.5096(3) 0.88894(19) 0.0602(12) Uani 1 1 d D B .
C9E C 0.93249(17) 0.4972(4) 0.9393(2) 0.088(2) Uani 1 1 d D . .
H9E H 0.9216 0.5123 0.9537 0.105 Uiso 1 1 calc R B .
C10E C 0.9435(3) 0.4224(6) 0.9526(3) 0.147(5) Uani 1 1 d D B .
H10C H 0.9452 0.3993 0.9300 0.176 Uiso 1 1 calc R . .
H10D H 0.9280 0.3972 0.9563 0.176 Uiso 1 1 calc R . .
C11E C 0.9794(3) 0.4339(10) 0.9997(5) 0.248(13) Uani 1 1 d D . .
H11C H 0.9772 0.4365 1.0248 0.297 Uiso 1 1 calc R B .
H11D H 0.9947 0.3960 1.0061 0.297 Uiso 1 1 calc R . .
C12E C 0.9937(3) 0.4965(11) 0.9972(8) 0.259(15) Uani 1 1 d D B .
H12C H 1.0102 0.4867 0.9909 0.311 Uiso 1 1 calc R . .
H12D H 1.0058 0.5206 1.0268 0.311 Uiso 1 1 calc R . .
C13E C 0.96558(19) 0.5393(6) 0.9598(3) 0.116(4) Uani 1 1 d D B .
H13C H 0.9689 0.5485 0.9361 0.139 Uiso 1 1 calc R . .
H13D H 0.9644 0.5825 0.9722 0.139 Uiso 1 1 calc R . .
C14E C 0.9305(3) 0.6419(5) 0.8029(5) 0.126(4) Uani 1 1 d . B .
Ga6 Ga 0.862900(14) 0.60182(3) 0.901253(18) 0.05181(12) Uani 1 1 d . . .
O1F O 0.90232(10) 0.65863(19) 0.93184(13) 0.0602(8) Uani 1 1 d . B .
O2F O 0.89984(9) 0.57307(17) 1.03683(11) 0.0524(7) Uani 1 1 d . B .
O3F O 0.82602(9) 0.53732(19) 0.88206(12) 0.0581(8) Uani 1 1 d . B .
O4F O 0.83684(11) 0.6755(2) 0.91069(15) 0.0675(10) Uani 1 1 d . B .
N1F N 0.87859(10) 0.56557(19) 0.96182(14) 0.0484(8) Uani 1 1 d . B .
N2F N 0.85552(10) 0.51914(19) 0.95894(13) 0.0469(8) Uani 1 1 d . . .
C1F C 0.92338(15) 0.6746(3) 0.9758(2) 0.0595(12) Uani 1 1 d . . .
C2F C 0.92342(12) 0.6458(2) 1.01071(18) 0.0525(10) Uani 1 1 d . B .
C3F C 0.94571(16) 0.6678(3) 1.0555(2) 0.0774(19) Uani 1 1 d . . .
H3F H 0.9450 0.6485 1.0787 0.093 Uiso 1 1 calc R B .
C4F C 0.96921(19) 0.7180(4) 1.0670(2) 0.091(3) Uani 1 1 d . B .
H4F H 0.9846 0.7329 1.0978 0.110 Uiso 1 1 calc R . .
C5F C 0.96989(18) 0.7451(3) 1.0340(2) 0.084(2) Uani 1 1 d . . .
H5F H 0.9863 0.7787 1.0420 0.100 Uiso 1 1 calc R B .
C6F C 0.94722(17) 0.7252(3) 0.9883(2) 0.0702(15) Uani 1 1 d . B .
H6F H 0.9480 0.7462 0.9656 0.084 Uiso 1 1 calc R . .
C7F C 0.89911(12) 0.5916(2) 1.00226(17) 0.0491(9) Uani 1 1 d . . .
C8F C 0.82907(13) 0.5109(3) 0.91651(18) 0.0550(11) Uani 1 1 d D B .
C9F C 0.79938(14) 0.4713(4) 0.90734(19) 0.0739(17) Uani 1 1 d D . .
C10F C 0.76805(17) 0.5172(6) 0.8889(4) 0.121(4) Uani 1 1 d D B .
C11F C 0.7397(6) 0.4844(15) 0.8443(7) 0.42(3) Uani 1 1 d D . .
C12F C 0.7519(4) 0.4105(14) 0.8490(9) 0.40(3) Uani 1 1 d D B .
C13F C 0.7889(3) 0.4135(6) 0.8736(4) 0.151(6) Uani 1 1 d D B .
C14F C 0.8112(4) 0.7189(7) 0.8782(3) 0.140(5) Uani 1 1 d . . .
C15F C 0.7841(5) 0.696(3) 0.8500(7) 0.51(5) Uani 1 1 d . B .
Ga7 Ga 0.869712(12) 0.49795(2) 1.023012(16) 0.04452(10) Uani 1 1 d . B .
O1G O 0.83143(9) 0.54840(18) 1.00996(14) 0.0583(8) Uani 1 1 d . . .
O2G O 0.81543(7) 0.34517(15) 1.03113(11) 0.0451(6) Uani 1 1 d . B .
O3G O 0.90357(8) 0.43059(17) 1.03466(12) 0.0513(7) Uani 1 1 d . . .
O4G O 0.89229(11) 0.5013(2) 1.09189(12) 0.0630(9) Uani 1 1 d . . .
N1G N 0.84710(9) 0.41271(19) 1.02070(13) 0.0440(7) Uani 1 1 d . . .
N2G N 0.86749(8) 0.35540(17) 1.03197(12) 0.0417(7) Uani 1 1 d . B .
C1G C 0.80492(12) 0.5269(2) 1.00743(16) 0.0489(9) Uani 1 1 d . B .
C2G C 0.79844(10) 0.4595(2) 1.01281(15) 0.0442(8) Uani 1 1 d . . .
C3G C 0.76906(13) 0.4440(3) 1.0086(2) 0.0556(11) Uani 1 1 d . B .
H3G H 0.7648 0.3987 1.0117 0.067 Uiso 1 1 calc R . .
C4G C 0.74630(15) 0.4928(3) 1.0001(2) 0.0662(14) Uani 1 1 d . . .
H4G H 0.7266 0.4815 0.9979 0.079 Uiso 1 1 calc R B .
C5G C 0.75224(14) 0.5584(3) 0.9948(2) 0.0615(12) Uani 1 1 d . B .
H5G H 0.7363 0.5921 0.9884 0.074 Uiso 1 1 calc R . .
C6G C 0.78071(13) 0.5757(3) 0.99867(19) 0.0568(11) Uani 1 1 d . . .
H6G H 0.7843 0.6214 0.9954 0.068 Uiso 1 1 calc R B .
C7G C 0.82138(10) 0.4026(2) 1.02190(14) 0.0436(8) Uani 1 1 d . B .
C8G C 0.89636(11) 0.3714(2) 1.03917(17) 0.0496(10) Uani 1 1 d D B .
C9G C 0.92182(13) 0.3170(3) 1.0536(3) 0.084(2) Uani 0.50 1 d PD B 1
C10G C 0.9439(3) 0.3218(7) 1.0385(6) 0.104(7) Uani 0.50 1 d PD B 1
C11G C 0.9797(2) 0.2983(11) 1.0818(5) 0.187(8) Uani 0.50 1 d PD B 1
C12G C 0.9803(4) 0.2835(10) 1.1229(7) 0.141(11) Uani 0.50 1 d PD B 1
C13G C 0.9499(3) 0.3257(9) 1.1097(5) 0.116(8) Uani 0.50 1 d PD B 1
C19G C 0.92182(13) 0.3170(3) 1.0536(3) 0.084(2) Uani 0.50 1 d PD B 2
C20G C 0.9580(3) 0.3335(11) 1.0945(5) 0.109(7) Uani 0.50 1 d PD B 2
C21G C 0.9797(2) 0.2983(11) 1.0818(5) 0.187(8) Uani 0.50 1 d PD B 2
C22G C 0.9615(4) 0.2769(16) 1.0361(8) 0.160(12) Uani 0.50 1 d PD B 2
C23G C 0.9250(3) 0.3001(12) 1.0148(5) 0.119(8) Uani 0.50 1 d PD B 2
C14G C 0.9229(4) 0.5293(9) 1.1256(3) 0.196(9) Uani 1 1 d . B .
Ga8 Ga 0.846200(10) 0.27430(2) 1.040497(15) 0.04052(9) Uani 1 1 d . . .
O5H O 0.87745(8) 0.28179(17) 1.10623(10) 0.0492(7) Uani 1 1 d . B .
O6H O 0.90218(7) 0.09757(15) 1.07219(10) 0.0428(6) Uani 1 1 d . . .
O7H O 0.81787(7) 0.24868(16) 0.97531(10) 0.0461(6) Uani 1 1 d . B .
O8H O 0.81528(9) 0.21225(18) 1.04757(13) 0.0534(7) Uani 1 1 d . B .
N1H N 0.87033(8) 0.19304(17) 1.04306(11) 0.0369(6) Uani 1 1 d . B .
N2H N 0.85425(8) 0.16046(17) 1.00034(10) 0.0376(6) Uani 1 1 d . . .
C1H C 0.90126(12) 0.2381(2) 1.13600(15) 0.0494(10) Uani 1 1 d . . .
C2H C 0.91107(11) 0.1800(2) 1.12536(15) 0.0479(9) Uani 1 1 d . B .
C3H C 0.93698(17) 0.1389(3) 1.15986(17) 0.0746(18) Uani 1 1 d . . .
H3H H 0.9437 0.1001 1.1521 0.090 Uiso 1 1 calc R B .
C4H C 0.9530(3) 0.1552(4) 1.20579(19) 0.114(4) Uani 1 1 d . B .
H4H H 0.9706 0.1274 1.2294 0.137 Uiso 1 1 calc R . .
C5H C 0.9431(3) 0.2123(4) 1.2168(2) 0.106(3) Uani 1 1 d . . .
H5H H 0.9542 0.2237 1.2481 0.127 Uiso 1 1 calc R B .
C6H C 0.91743(16) 0.2522(3) 1.18306(17) 0.0678(14) Uani 1 1 d . B .
H6H H 0.9103 0.2899 1.1912 0.081 Uiso 1 1 calc R . .
C7H C 0.89409(9) 0.1559(2) 1.07804(13) 0.0404(8) Uani 1 1 d . B .
C8H C 0.82676(10) 0.1930(2) 0.96772(14) 0.0455(9) Uani 1 1 d D B .
C9H C 0.80359(14) 0.1615(3) 0.92140(16) 0.0726(18) Uani 1 1 d D . .
H9H H 0.8163 0.1255 0.9185 0.087 Uiso 1 1 calc R B .
C10H C 0.77221(15) 0.1296(5) 0.9151(3) 0.126(4) Uani 1 1 d D B .
H10E H 0.7782 0.0850 0.9300 0.151 Uiso 1 1 calc R . .
H10F H 0.7645 0.1585 0.9293 0.151 Uiso 1 1 calc R . .
C11H C 0.7444(3) 0.1228(7) 0.8642(3) 0.150(6) Uani 1 1 d D . .
H11E H 0.7455 0.0791 0.8524 0.180 Uiso 1 1 calc R B .
H11F H 0.7215 0.1284 0.8567 0.180 Uiso 1 1 calc R . .
C12H C 0.7529(2) 0.1798(9) 0.8460(3) 0.156(6) Uani 1 1 d D B .
H12E H 0.7356 0.2154 0.8351 0.187 Uiso 1 1 calc R . .
H12F H 0.7513 0.1636 0.8192 0.187 Uiso 1 1 calc R . .
C13H C 0.7892(3) 0.2120(5) 0.8813(2) 0.148(6) Uani 1 1 d D B .
H13E H 0.8027 0.2124 0.8694 0.177 Uiso 1 1 calc R . .
H13F H 0.7878 0.2581 0.8902 0.177 Uiso 1 1 calc R . .
C14H C 0.8034(2) 0.2317(3) 1.0739(3) 0.084(2) Uani 1 1 d . . .
Ga9 Ga 0.117288(11) 0.39901(3) 0.286878(16) 0.04771(11) Uani 1 1 d . D .
O1I O 0.07770(9) 0.4114(2) 0.22436(12) 0.0636(10) Uani 1 1 d . . .
O2I O 0.08136(9) 0.5793(2) 0.30025(12) 0.0588(8) Uani 1 1 d . D .
O3I O 0.15357(7) 0.40031(19) 0.35367(11) 0.0527(8) Uani 1 1 d . D .
O4I O 0.14458(10) 0.4657(2) 0.27790(15) 0.0667(10) Uani 1 1 d . . .
N1I N 0.10328(9) 0.4771(2) 0.30612(12) 0.0468(8) Uani 1 1 d . . .
N2I N 0.12635(9) 0.4927(2) 0.35271(13) 0.0482(8) Uani 1 1 d . D .
C1I C 0.05615(12) 0.4640(3) 0.20580(16) 0.0607(13) Uani 1 1 d . D .
C2I C 0.05716(12) 0.5195(3) 0.23153(16) 0.0605(13) Uani 1 1 d . . .
C3I C 0.03319(17) 0.5716(5) 0.2082(2) 0.087(2) Uani 1 1 d . D .
H3I H 0.0342 0.6086 0.2253 0.105 Uiso 1 1 calc R . .
C4I C 0.00828(18) 0.5706(5) 0.16121(19) 0.093(2) Uani 1 1 d . . .
H4I H -0.0077 0.6061 0.1463 0.111 Uiso 1 1 calc R D .
C5I C 0.00714(19) 0.5174(5) 0.1367(2) 0.091(2) Uani 1 1 d . D .
H5I H -0.0096 0.5170 0.1044 0.110 Uiso 1 1 calc R . .
C6I C 0.03056(15) 0.4617(4) 0.15826(18) 0.0765(18) Uani 1 1 d . . .
H6I H 0.0287 0.4244 0.1407 0.092 Uiso 1 1 calc R D .
C7I C 0.08159(11) 0.5256(3) 0.28132(16) 0.0536(11) Uani 1 1 d . D .
C8I C 0.15143(10) 0.4498(3) 0.37406(16) 0.0513(10) Uani 1 1 d D . .
C9I C 0.17943(12) 0.4591(3) 0.42536(18) 0.0709(17) Uani 1 1 d D C .
C10I C 0.18636(18) 0.3992(5) 0.45467(19) 0.111(4) Uani 0.61(2) 1 d PD C 1
C11I C 0.22724(18) 0.3934(4) 0.4906(2) 0.053(3) Uani 0.61(2) 1 d PD C 1
C12I C 0.23853(16) 0.4621(5) 0.4870(2) 0.099(3) Uani 0.61(2) 1 d PD C 1
C13I C 0.21328(16) 0.4754(5) 0.4345(2) 0.114(4) Uani 1 1 d D . .
C20I C 0.18636(18) 0.3992(5) 0.45467(19) 0.111(4) Uani 0.39(2) 1 d PD C 2
C21I C 0.2180(4) 0.4281(9) 0.4979(5) 0.073(6) Uiso 0.39(2) 1 d PD C 2
C22I C 0.23853(16) 0.4621(5) 0.4870(2) 0.099(3) Uani 0.39(2) 1 d PD C 2
C14I C 0.1443(4) 0.4635(8) 0.2373(4) 0.081(5) Uani 0.50 1 d P D 1
C24I C 0.1822(5) 0.4579(12) 0.3011(10) 0.131(9) Uani 0.50 1 d P D 2
Ga10 Ga 0.113549(12) 0.58173(3) 0.366686(16) 0.04894(11) Uani 1 1 d . . .
O1J O 0.14808(9) 0.6310(2) 0.36993(12) 0.0585(8) Uani 1 1 d . D .
O2J O 0.17330(8) 0.64016(17) 0.50424(11) 0.0497(7) Uani 1 1 d . D .
O3J O 0.08244(8) 0.5361(2) 0.37598(11) 0.0531(8) Uani 1 1 d . D .
O4J O 0.08814(9) 0.6704(2) 0.35866(13) 0.0668(10) Uani 1 1 d . D .
N1J N 0.13923(9) 0.59047(18) 0.43379(12) 0.0422(7) Uani 1 1 d . D .
N2J N 0.12225(9) 0.5638(2) 0.45089(14) 0.0523(9) Uani 1 1 d . . .
C1J C 0.17345(12) 0.6677(2) 0.40479(17) 0.0532(10) Uani 1 1 d . . .
C2J C 0.18303(11) 0.6675(2) 0.45018(17) 0.0497(10) Uani 1 1 d . D .
C3J C 0.21048(13) 0.7078(2) 0.4838(2) 0.0571(11) Uani 1 1 d . . .
H3J H 0.2167 0.7083 0.5140 0.069 Uiso 1 1 calc R D .
C4J C 0.22863(14) 0.7469(2) 0.4739(2) 0.0620(13) Uani 1 1 d . D .
H4J H 0.2479 0.7718 0.4974 0.074 Uiso 1 1 calc R . .
C5J C 0.21846(15) 0.7490(2) 0.4296(2) 0.0618(13) Uani 1 1 d . . .
H5J H 0.2300 0.7774 0.4222 0.074 Uiso 1 1 calc R D .
C6J C 0.19161(14) 0.7102(3) 0.3959(2) 0.0594(12) Uani 1 1 d . D .
H6J H 0.1852 0.7122 0.3657 0.071 Uiso 1 1 calc R . .
C7J C 0.16458(11) 0.6307(2) 0.46320(16) 0.0467(9) Uani 1 1 d . . .
C8J C 0.09264(11) 0.5369(3) 0.41708(17) 0.0637(14) Uani 1 1 d D D .
C9J C 0.0734(2) 0.4954(5) 0.4306(3) 0.065(3) Uani 0.635(14) 1 d PD D 1
C10J C 0.0419(3) 0.5360(6) 0.4151(5) 0.090(4) Uani 0.635(14) 1 d PD D 1
C11J C 0.0138(3) 0.4843(7) 0.3980(7) 0.189(9) Uani 0.635(14) 1 d PD D 1
C12J C 0.0233(3) 0.4210(9) 0.3850(8) 0.163(10) Uani 0.635(14) 1 d PD D 1
C13J C 0.0605(3) 0.4254(5) 0.4063(5) 0.085(4) Uani 0.635(14) 1 d PD D 1
C19J C 0.0660(3) 0.5331(7) 0.4254(4) 0.045(3) Uiso 0.365(14) 1 d PD D 2
C20J C 0.0435(4) 0.4708(8) 0.3955(6) 0.073(5) Uiso 0.365(14) 1 d PD D 2
C21J C 0.0138(3) 0.4843(7) 0.3980(7) 0.189(9) Uani 0.365(14) 1 d PD D 2
C22J C 0.0095(6) 0.5623(10) 0.3975(12) 0.122(10) Uiso 0.365(14) 1 d PD D 2
C23J C 0.0420(4) 0.5944(8) 0.4073(7) 0.081(5) Uiso 0.365(14) 1 d PD D 2
C14J C 0.05046(17) 0.6765(4) 0.3267(3) 0.094(3) Uani 1 1 d . . .
Ga11 Ga 0.145661(11) 0.59385(3) 0.517346(16) 0.04530(10) Uani 1 1 d . D .
O1K O 0.11211(9) 0.6626(2) 0.49652(14) 0.0654(9) Uani 1 1 d . . .
O2K O 0.10068(8) 0.5307(2) 0.57845(13) 0.0553(8) Uani 1 1 d . D .
O3K O 0.17616(7) 0.51659(18) 0.54436(12) 0.0492(7) Uani 1 1 d . . .
O4K O 0.17703(9) 0.6417(2) 0.58007(12) 0.0585(8) Uani 1 1 d . . .
N1K N 0.12527(8) 0.5439(2) 0.54252(13) 0.0470(8) Uani 1 1 d . . .
N2K N 0.14378(9) 0.4872(2) 0.56775(13) 0.0463(8) Uani 1 1 d . D .
C1K C 0.09170(14) 0.6714(3) 0.5097(2) 0.0664(14) Uani 1 1 d . D .
C2K C 0.08656(12) 0.6278(3) 0.53455(18) 0.0570(12) Uani 1 1 d . . .
C3K C 0.06424(13) 0.6430(4) 0.5450(2) 0.0698(15) Uani 1 1 d . D .
H3K H 0.0605 0.6112 0.5609 0.084 Uiso 1 1 calc R . .
C4K C 0.0476(2) 0.7039(4) 0.5323(3) 0.098(3) Uani 1 1 d . . .
H4K H 0.0323 0.7143 0.5392 0.117 Uiso 1 1 calc R D .
C5K C 0.0535(3) 0.7487(5) 0.5099(5) 0.152(6) Uani 1 1 d . D .
H5K H 0.0426 0.7912 0.5021 0.182 Uiso 1 1 calc R . .
C6K C 0.0751(2) 0.7343(5) 0.4979(4) 0.108(3) Uani 1 1 d . . .
H6K H 0.0785 0.7666 0.4820 0.130 Uiso 1 1 calc R D .
C7K C 0.10458(10) 0.5644(3) 0.55236(15) 0.0517(11) Uani 1 1 d . D .
C8K C 0.17059(10) 0.4789(2) 0.56807(16) 0.0470(9) Uani 1 1 d D D .
C9K C 0.19664(13) 0.4289(3) 0.59992(19) 0.0582(12) Uani 1 1 d D . .
H9K H 0.1868 0.3958 0.6094 0.070 Uiso 1 1 calc R D .
C10K C 0.21351(15) 0.3929(3) 0.5824(2) 0.0685(14) Uani 1 1 d D D .
H10G H 0.2181 0.4240 0.5655 0.082 Uiso 1 1 calc R . .
H10H H 0.1992 0.3554 0.5618 0.082 Uiso 1 1 calc R . .
C11K C 0.24717(14) 0.3665(3) 0.6267(2) 0.0729(16) Uani 1 1 d D . .
H11G H 0.2448 0.3187 0.6316 0.087 Uiso 1 1 calc R D .
H11H H 0.2660 0.3707 0.6242 0.087 Uiso 1 1 calc R . .
C12K C 0.25441(17) 0.4085(4) 0.6661(2) 0.0746(16) Uani 1 1 d D D .
H12G H 0.2779 0.4261 0.6845 0.090 Uiso 1 1 calc R . .
H12H H 0.2516 0.3815 0.6863 0.090 Uiso 1 1 calc R . .
C13K C 0.22855(13) 0.4662(3) 0.64409(18) 0.0635(13) Uani 1 1 d D D .
H13G H 0.2366 0.5040 0.6354 0.076 Uiso 1 1 calc R . .
H13H H 0.2232 0.4828 0.6646 0.076 Uiso 1 1 calc R . .
C14K C 0.1896(3) 0.7102(4) 0.5848(3) 0.066(2) Uani 0.60 1 d P D 1
C24K C 0.2153(7) 0.6489(15) 0.6047(10) 0.114(7) Uiso 0.40 1 d P D 2
Ga12 Ga 0.126681(13) 0.44880(3) 0.602387(19) 0.05318(12) Uani 1 1 d . . .
O1L O 0.16535(9) 0.4843(2) 0.65971(14) 0.0663(10) Uani 1 1 d . D .
O2L O 0.17489(14) 0.2701(3) 0.67117(16) 0.0828(13) Uani 1 1 d . D .
O3L O 0.09073(8) 0.39583(19) 0.54903(13) 0.0566(8) Uani 1 1 d . D .
O4L O 0.10240(12) 0.4349(2) 0.63224(17) 0.0743(12) Uani 1 1 d . D .
N1L N 0.14501(10) 0.3570(3) 0.62311(14) 0.0563(10) Uani 1 1 d . D .
N2L N 0.12377(12) 0.3062(2) 0.59242(17) 0.0612(10) Uani 1 1 d . . .
C1L C 0.18947(15) 0.4521(4) 0.69753(19) 0.0730(17) Uani 1 1 d . . .
C2L C 0.19271(17) 0.3814(4) 0.70075(19) 0.0767(18) Uani 1 1 d . D .
C3L C 0.2208(3) 0.3543(6) 0.7437(2) 0.118(4) Uani 1 1 d . . .
H3L H 0.2241 0.3071 0.7466 0.141 Uiso 1 1 calc R D .
C4L C 0.2430(4) 0.3941(9) 0.7806(3) 0.162(6) Uani 1 1 d . D .
H4L H 0.2607 0.3750 0.8092 0.195 Uiso 1 1 calc R . .
C5L C 0.2390(3) 0.4630(8) 0.7752(3) 0.135(4) Uani 1 1 d . . .
H5L H 0.2549 0.4909 0.8005 0.162 Uiso 1 1 calc R D .
C6L C 0.2136(2) 0.4918(5) 0.7357(2) 0.089(2) Uani 1 1 d . D .
H6L H 0.2119 0.5393 0.7334 0.107 Uiso 1 1 calc R . .
C7L C 0.17019(16) 0.3351(4) 0.66425(19) 0.0714(16) Uani 1 1 d . . .
C8L C 0.09592(13) 0.3316(3) 0.5548(2) 0.0589(12) Uani 1 1 d D D .
C9L C 0.06964(19) 0.2858(4) 0.5188(3) 0.102(3) Uani 1 1 d D . .
C10L C 0.0356(3) 0.2935(8) 0.5107(5) 0.177(7) Uani 1 1 d D D .
C11L C 0.0088(3) 0.2952(12) 0.4602(5) 0.204(10) Uani 1 1 d D . .
C12L C 0.0241(3) 0.2733(15) 0.4375(4) 0.238(13) Uani 1 1 d D D .
C13L C 0.0617(2) 0.2982(9) 0.4720(4) 0.175(8) Uani 1 1 d D D .
C14L C 0.0682(5) 0.4537(7) 0.6129(9) 0.110(7) Uani 0.50 1 d P D 1
C24L C 0.0975(8) 0.4881(18) 0.6530(10) 0.154(11) Uani 0.50 1 d PD D 2
C25L C 0.1276(14) 0.518(3) 0.6998(17) 0.30(3) Uiso 0.50 1 d PD D 2
Ga13 Ga 0.14336(2) 0.21445(4) 0.62039(3) 0.07488(19) Uani 1 1 d . D .
O1M O 0.11362(19) 0.2048(3) 0.6375(2) 0.104(2) Uani 1 1 d . . .
O2M O 0.08695(18) 0.0502(3) 0.5411(2) 0.0982(18) Uani 1 1 d . D .
O3M O 0.16916(11) 0.2116(2) 0.59425(15) 0.0714(11) Uani 1 1 d . . .
O4M O 0.1763(2) 0.1396(4) 0.6665(2) 0.117(2) Uani 1 1 d . . .
N1M N 0.11731(16) 0.1444(3) 0.5725(2) 0.0743(15) Uani 1 1 d . . .
N2M N 0.13187(15) 0.1276(3) 0.5507(2) 0.0679(12) Uani 1 1 d . D .
C1M C 0.0885(2) 0.1606(5) 0.6221(3) 0.091(2) Uani 1 1 d . D .
C2M C 0.0785(2) 0.1130(4) 0.5884(3) 0.084(2) Uani 1 1 d . . .
C3M C 0.0510(3) 0.0702(6) 0.5739(4) 0.118(3) Uani 1 1 d . D .
H3M H 0.0434 0.0387 0.5500 0.142 Uiso 1 1 calc R . .
C4M C 0.0348(3) 0.0742(8) 0.5950(4) 0.142(5) Uani 1 1 d . . .
H4M H 0.0171 0.0438 0.5870 0.170 Uiso 1 1 calc R D .
C5M C 0.0456(4) 0.1247(7) 0.6287(5) 0.141(5) Uani 1 1 d . D .
H5M H 0.0342 0.1292 0.6422 0.169 Uiso 1 1 calc R . .
C6M C 0.0710(3) 0.1656(5) 0.6416(3) 0.100(3) Uani 1 1 d . . .
H6M H 0.0776 0.1987 0.6643 0.121 Uiso 1 1 calc R D .
C7M C 0.0952(2) 0.1018(4) 0.5660(3) 0.087(2) Uani 1 1 d . D .
C8M C 0.15833(16) 0.1646(3) 0.5641(2) 0.0670(14) Uani 1 1 d D D .
C9M C 0.17678(17) 0.1551(3) 0.5431(3) 0.0760(17) Uani 1 1 d D . .
H9M H 0.1646 0.1201 0.5186 0.091 Uiso 1 1 calc R D .
C10M C 0.21344(19) 0.1324(4) 0.5790(3) 0.086(2) Uani 1 1 d D D .
H10I H 0.2149 0.0831 0.5830 0.104 Uiso 1 1 calc R . .
H10J H 0.2234 0.1541 0.6090 0.104 Uiso 1 1 calc R . .
C11M C 0.23123(17) 0.1558(3) 0.5586(2) 0.0712(15) Uani 1 1 d D . .
H11I H 0.2259 0.1257 0.5335 0.085 Uiso 1 1 calc R D .
H11J H 0.2562 0.1576 0.5823 0.085 Uiso 1 1 calc R . .
C12M C 0.21607(17) 0.2273(3) 0.5401(2) 0.0741(16) Uani 1 1 d D D .
H12I H 0.2280 0.2610 0.5650 0.089 Uiso 1 1 calc R . .
H12J H 0.2178 0.2407 0.5154 0.089 Uiso 1 1 calc R . .
C13M C 0.17980(17) 0.2203(4) 0.5220(2) 0.0735(15) Uani 1 1 d D D .
H13I H 0.1649 0.2172 0.4881 0.088 Uiso 1 1 calc R . .
H13J H 0.1727 0.2598 0.5308 0.088 Uiso 1 1 calc R . .
C14M C 0.2131(3) 0.1424(9) 0.6892(4) 0.153(6) Uani 1 1 d . D .
C15M C 0.2257(6) 0.1109(16) 0.7362(7) 0.255(14) Uani 1 1 d . . .
Ga14 Ga 0.11079(3) 0.03967(4) 0.51390(3) 0.0822(2) Uani 1 1 d . . .
O1N O 0.1498(2) -0.0097(3) 0.5638(3) 0.120(3) Uani 1 1 d . D .
O2N O 0.14714(11) -0.0405(2) 0.44602(16) 0.0665(10) Uani 1 1 d . D .
O3N O 0.07507(13) 0.0859(2) 0.45650(17) 0.0729(11) Uani 1 1 d . D .
O4N O 0.0818(3) -0.0474(3) 0.4870(4) 0.144(3) Uani 1 1 d . D .
N1N N 0.12584(15) 0.0209(2) 0.4750(2) 0.0685(12) Uani 1 1 d . D .
N2N N 0.10313(14) 0.0472(2) 0.43015(19) 0.0632(11) Uani 1 1 d . . .
C1N C 0.1715(3) -0.0497(3) 0.5626(3) 0.094(2) Uani 1 1 d . . .
C2N C 0.17060(19) -0.0575(3) 0.5234(3) 0.0733(16) Uani 1 1 d . D .
C3N C 0.19536(19) -0.1010(3) 0.5287(3) 0.0803(18) Uani 1 1 d . . .
H3N H 0.1955 -0.1070 0.5030 0.096 Uiso 1 1 calc R D .
C4N C 0.2194(2) -0.1353(4) 0.5683(3) 0.092(2) Uani 1 1 d . D .
H4N H 0.2353 -0.1640 0.5697 0.110 Uiso 1 1 calc R . .
C5N C 0.2195(3) -0.1263(5) 0.6072(4) 0.109(3) Uani 1 1 d . . .
H5N H 0.2355 -0.1491 0.6352 0.131 Uiso 1 1 calc R D .
C6N C 0.1961(3) -0.0841(4) 0.6032(4) 0.119(4) Uani 1 1 d . D .
H6N H 0.1964 -0.0776 0.6291 0.143 Uiso 1 1 calc R . .
C7N C 0.14699(17) -0.0251(3) 0.4797(3) 0.0675(14) Uani 1 1 d . . .
C8N C 0.07774(18) 0.0802(3) 0.4237(3) 0.0710(16) Uani 1 1 d D D .
C9N C 0.0518(2) 0.1077(4) 0.3784(3) 0.106(3) Uani 1 1 d D . .
H9N H 0.0598 0.1050 0.3589 0.128 Uiso 1 1 calc R D .
C10N C 0.0176(2) 0.0711(6) 0.3544(3) 0.110(3) Uani 1 1 d D D .
H10K H 0.0167 0.0456 0.3769 0.133 Uiso 1 1 calc R . .
H10L H 0.0142 0.0396 0.3310 0.133 Uiso 1 1 calc R . .
C11N C -0.0099(3) 0.1276(9) 0.3315(4) 0.183(8) Uani 1 1 d D . .
H11K H -0.0281 0.1172 0.2989 0.220 Uiso 1 1 calc R D .
H11L H -0.0203 0.1331 0.3476 0.220 Uiso 1 1 calc R . .
C12N C 0.0090(4) 0.1899(8) 0.3359(8) 0.252(15) Uani 1 1 d D D .
H12K H -0.0028 0.2305 0.3353 0.302 Uiso 1 1 calc R . .
H12L H 0.0110 0.1927 0.3106 0.302 Uiso 1 1 calc R . .
C13N C 0.0434(3) 0.1829(5) 0.3815(5) 0.143(5) Uani 1 1 d D D .
H13K H 0.0423 0.1899 0.4074 0.171 Uiso 1 1 calc R . .
H13L H 0.0601 0.2143 0.3843 0.171 Uiso 1 1 calc R . .
C14N C 0.0484(11) -0.0624(19) 0.4724(14) 0.178(16) Uani 0.50 1 d P D 1
C24N C 0.0830(12) -0.0922(11) 0.5194(14) 0.177(17) Uani 0.50 1 d P D 2
Ga15 Ga 0.116622(15) 0.01030(3) 0.39010(2) 0.05942(14) Uani 1 1 d . D .
O1O O 0.07851(11) -0.0510(2) 0.3592(2) 0.0788(13) Uani 1 1 d . . .
O2O O 0.05779(9) 0.0935(2) 0.25890(14) 0.0640(10) Uani 1 1 d . D .
O3O O 0.15128(9) 0.0802(2) 0.40954(13) 0.0592(9) Uani 1 1 d . . .
O4O O 0.13750(11) -0.0438(2) 0.36380(17) 0.0759(12) Uani 1 1 d . . .
N1O N 0.09228(10) 0.0675(2) 0.33426(15) 0.0534(9) Uani 1 1 d . . .
N2O N 0.11231(9) 0.1222(2) 0.33787(14) 0.0496(8) Uani 1 1 d . D .
C1O C 0.05256(17) -0.0534(3) 0.3141(3) 0.0730(18) Uani 1 1 d . D .
C2O C 0.04423(17) -0.0036(3) 0.2812(3) 0.0758(19) Uani 1 1 d . . .
C3O C 0.0158(2) -0.0122(5) 0.2367(3) 0.104(3) Uani 1 1 d . D .
H3O H 0.0100 0.0215 0.2147 0.125 Uiso 1 1 calc R . .
C4O C -0.0047(3) -0.0693(7) 0.2231(5) 0.141(5) Uani 1 1 d . . .
H4O H -0.0249 -0.0729 0.1925 0.170 Uiso 1 1 calc R D .
C5O C 0.0042(3) -0.1192(7) 0.2535(4) 0.145(5) Uani 1 1 d . D .
H5O H -0.0087 -0.1596 0.2434 0.174 Uiso 1 1 calc R . .
C6O C 0.0325(3) -0.1119(5) 0.3002(4) 0.107(3) Uani 1 1 d . . .
H6O H 0.0380 -0.1460 0.3218 0.129 Uiso 1 1 calc R D .
C7O C 0.06553(13) 0.0565(3) 0.2917(2) 0.0621(14) Uani 1 1 d . D .
C8O C 0.14292(13) 0.1209(3) 0.37757(18) 0.0599(12) Uani 1 1 d D D .
C9O C 0.16971(16) 0.1659(4) 0.3830(2) 0.0474(18) Uani 0.702(14) 1 d PD D 1
C10O C 0.19240(18) 0.2007(4) 0.4307(2) 0.056(2) Uani 0.702(14) 1 d PD D 1
C11O C 0.22222(17) 0.2246(4) 0.4311(3) 0.090(2) Uani 0.702(14) 1 d PD D 1
C12O C 0.2268(2) 0.1769(5) 0.4034(3) 0.076(3) Uani 0.702(14) 1 d PD D 1
C13O C 0.19780(16) 0.1259(4) 0.3843(3) 0.060(2) Uani 0.702(14) 1 d PD D 1
C19O C 0.1630(5) 0.1844(14) 0.3857(9) 0.079(9) Uiso 0.298(14) 1 d PD D 2
C20O C 0.1994(5) 0.1606(10) 0.4025(8) 0.078(6) Uiso 0.298(14) 1 d PD D 2
C21O C 0.22222(17) 0.2246(4) 0.4311(3) 0.090(2) Uani 0.298(14) 1 d PD D 2
C22O C 0.2075(9) 0.253(3) 0.4542(16) 0.18(2) Uiso 0.298(14) 1 d PD D 2
C23O C 0.1702(7) 0.2274(18) 0.4257(12) 0.129(13) Uiso 0.298(14) 1 d PD D 2
C14O C 0.1705(3) -0.0705(10) 0.3897(4) 0.187(9) Uani 1 1 d . D .
C15O C 0.1865(7) -0.0887(13) 0.3681(9) 0.127(7) Uiso 0.50 1 d P . .
Ga16 Ga 0.088285(11) 0.16900(3) 0.275568(17) 0.05206(12) Uani 1 1 d . . .
O1P O 0.11791(9) 0.1245(2) 0.26605(14) 0.0636(10) Uani 1 1 d . D .
O2P O 0.13956(7) 0.33362(19) 0.27396(11) 0.0519(8) Uani 1 1 d . . .
O3P O 0.06183(9) 0.2308(2) 0.28524(15) 0.0612(9) Uani 1 1 d . D .
O4P O 0.05494(10) 0.1898(3) 0.20521(14) 0.0782(12) Uani 1 1 d . D .
N1P N 0.11158(9) 0.2544(2) 0.28483(13) 0.0488(8) Uani 1 1 d . D .
N2P N 0.09652(9) 0.3108(2) 0.28930(14) 0.0497(9) Uani 1 1 d . . .
C1P C 0.13963(12) 0.1514(3) 0.25970(16) 0.0579(12) Uani 1 1 d . . .
C2P C 0.14829(9) 0.2196(3) 0.26504(13) 0.0486(10) Uani 1 1 d . D .
C3P C 0.17205(11) 0.2411(3) 0.25806(15) 0.0579(12) Uani 1 1 d . . .
H3P H 0.1774 0.2875 0.2607 0.069 Uiso 1 1 calc R D .
C4P C 0.18746(13) 0.1974(4) 0.2476(2) 0.0676(15) Uani 1 1 d . D .
H4P H 0.2037 0.2132 0.2436 0.081 Uiso 1 1 calc R . .
C5P C 0.17976(17) 0.1308(5) 0.2429(2) 0.081(2) Uani 1 1 d . . .
H5P H 0.1906 0.1001 0.2357 0.097 Uiso 1 1 calc R D .
C6P C 0.15614(14) 0.1083(4) 0.2486(2) 0.0671(14) Uani 1 1 d . D .
H6P H 0.1508 0.0618 0.2448 0.081 Uiso 1 1 calc R . .
C7P C 0.13287(9) 0.2725(3) 0.27524(13) 0.0489(10) Uani 1 1 d . D .
C8P C 0.06986(13) 0.2923(3) 0.2876(2) 0.0590(12) Uani 1 1 d D D .
C9P C 0.04694(17) 0.3460(4) 0.2825(3) 0.094(3) Uani 0.570(16) 1 d PD D 1
C10P C 0.0270(2) 0.3295(6) 0.3005(4) 0.070(3) Uani 0.570(16) 1 d PD D 1
C11P C -0.00448(18) 0.3757(5) 0.2713(3) 0.097(2) Uani 0.570(16) 1 d PD D 1
C12P C -0.0139(3) 0.3842(8) 0.2235(4) 0.090(4) Uani 0.570(16) 1 d PD D 1
C13P C 0.0134(2) 0.3449(7) 0.2259(4) 0.077(4) Uani 0.570(16) 1 d PD D 1
C19P C 0.04694(17) 0.3460(4) 0.2825(3) 0.094(3) Uani 0.430(16) 1 d PD D 2
C20P C 0.0109(4) 0.3451(12) 0.2477(6) 0.105(7) Uiso 0.430(16) 1 d PD D 2
C21P C -0.00448(18) 0.3757(5) 0.2713(3) 0.097(2) Uani 0.430(16) 1 d PD D 2
C22P C 0.0151(6) 0.344(3) 0.3191(9) 0.22(2) Uiso 0.430(16) 1 d PD D 2
C23P C 0.0504(4) 0.3423(10) 0.3313(5) 0.086(5) Uiso 0.430(16) 1 d PD D 2
C14P C 0.0397(4) 0.1389(11) 0.1672(6) 0.100(5) Uani 0.50 1 d PD D 1
C15P C 0.0026(6) 0.130(3) 0.1382(16) 0.225(18) Uiso 0.50 1 d PD D 1
C16P C 0.0188(4) 0.1808(16) 0.1782(5) 0.155(13) Uani 0.50 1 d P D 2
O1S O 0.17090(10) 0.3857(2) 0.14509(14) 0.0670(10) Uani 1 1 d . . .
C1S C 0.15343(17) 0.3453(4) 0.1568(2) 0.0719(14) Uiso 1 1 d . . .
C2S C 0.1512(3) 0.2699(7) 0.1395(5) 0.137(4) Uiso 1 1 d . . .
O21S O 0.84927(12) 0.0762(2) 0.26015(15) 0.0675(10) Uani 0.50 1 d P E 1
C31S C 0.8762(4) 0.1162(8) 0.2689(5) 0.078(3) Uiso 0.50 1 d P E 1
C41S C 0.8804(7) 0.1374(15) 0.2391(10) 0.248(11) Uiso 0.50 1 d P E 1
O22S O 0.84927(12) 0.0762(2) 0.26015(15) 0.0675(10) Uani 0.50 1 d P F 2
C32S C 0.8544(4) 0.1331(8) 0.2433(5) 0.081(3) Uiso 0.50 1 d P F 2
C42S C 0.8804(7) 0.1374(15) 0.2391(10) 0.248(11) Uiso 0.50 1 d P F 2
O3S O 0.06469(9) 0.2990(3) 0.17695(12) 0.0713(11) Uani 1 1 d . . .
C5S C 0.08087(18) 0.3056(4) 0.1557(3) 0.0756(15) Uiso 1 1 d . . .
C6S C 0.0822(9) 0.2227(19) 0.1435(13) 0.315(16) Uiso 1 1 d . . .
O4S O 0.40269(13) 0.3181(2) 0.19531(16) 0.0707(10) Uani 1 1 d . . .
C7S C 0.3814(2) 0.3279(5) 0.1464(3) 0.096(2) Uiso 1 1 d . . .
C8S C 0.3840(5) 0.3867(11) 0.1338(8) 0.194(7) Uiso 1 1 d . . .
O5S O 0.82964(11) 0.08406(19) 0.06106(14) 0.0610(9) Uani 1 1 d . . .
C9S C 0.8528(2) 0.0523(4) 0.1057(3) 0.0838(18) Uiso 1 1 d . . .
C10S C 0.8491(11) 0.086(2) 0.1288(16) 0.37(2) Uiso 1 1 d . . .
O6S O 0.1134(3) 0.3195(5) 0.6761(4) 0.076(2) Uiso 0.50 1 d P G 1
C11S C 0.1331(7) 0.3192(15) 0.7248(10) 0.139(8) Uiso 0.50 1 d P G 1
O61S O 0.0909(3) 0.3212(7) 0.6497(5) 0.099(3) Uiso 0.50 1 d P H 2
C21S C 0.0534(6) 0.3278(12) 0.6257(8) 0.117(6) Uiso 0.50 1 d P H 2
O7S O 0.5903(7) 0.2722(18) 0.2775(9) 0.246(14) Uiso 0.50 1 d PD . .
C12S C 0.5589(6) 0.2784(13) 0.2303(8) 0.127(7) Uiso 0.50 1 d PD . .
C13S C 0.5293(7) 0.2428(16) 0.2020(10) 0.152(9) Uiso 0.50 1 d PD . .
O1T O 0.90459(11) 0.10785(18) 0.48544(14) 0.0615(9) Uani 1 1 d . . .
C1T C 0.88602(17) 0.1681(3) 0.4769(2) 0.0722(15) Uiso 1 1 d . . .
O2T O 0.82873(13) 0.3323(2) 0.47446(18) 0.0737(11) Uani 1 1 d . . .
C2T C 0.8448(3) 0.2817(6) 0.5108(4) 0.121(3) Uiso 1 1 d . . .
O3T O 0.60404(11) 0.2379(2) 0.43061(15) 0.0700(10) Uani 1 1 d . . .
C3T C 0.6256(2) 0.2913(4) 0.4498(3) 0.0859(19) Uiso 1 1 d . . .
O4T O 0.91887(16) 0.6930(2) 0.87805(17) 0.0880(15) Uani 1 1 d . . .
C4T C 0.9063(3) 0.7567(5) 0.8615(4) 0.106(3) Uiso 1 1 d . . .
O5T O 0.88530(13) 0.4077(2) 0.13393(16) 0.0741(11) Uani 1 1 d . . .
C5T C 0.8671(3) 0.4246(5) 0.1491(4) 0.105(3) Uiso 1 1 d . . .
O6T O 0.12115(14) 0.9934(3) 0.2832(2) 0.0888(14) Uani 1 1 d . . .
C6T C 0.0962(2) 0.9601(5) 0.2401(3) 0.099(2) Uiso 1 1 d . . .
O7T O 0.81811(13) 0.4953(2) 0.66450(15) 0.0812(13) Uani 1 1 d . . .
C7T C 0.7825(2) 0.5152(5) 0.6303(3) 0.097(2) Uiso 1 1 d . . .
O8T O 0.15861(19) 0.5854(3) 0.3095(2) 0.112(2) Uani 1 1 d . . .
C8T C 0.1974(3) 0.5895(7) 0.3316(5) 0.131(4) Uiso 1 1 d . . .
O9T O 0.1602(3) 1.0145(4) 0.6430(3) 0.153(4) Uani 1 1 d . . .
C9T C 0.1360(5) 0.9767(11) 0.6437(7) 0.185(7) Uiso 1 1 d . . .
O10T O 0.0613(2) 0.9034(4) 0.4122(3) 0.151(4) Uani 1 1 d . . .
C10T C 0.0265(7) 0.8830(15) 0.3909(10) 0.243(11) Uiso 1 1 d . . .
O11T O 0.6984(8) 0.3044(13) 0.3102(11) 0.385(18) Uani 1 1 d D . .
C11T C 0.6742(10) 0.345(2) 0.2625(14) 0.36(2) Uiso 1 1 d D . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1A Ga1 O6H 96.35(14) . . ?
O1A Ga1 O3A 169.44(13) . . ?
O6H Ga1 O3A 93.79(12) . . ?
O1A Ga1 N1A 90.36(13) . . ?
O6H Ga1 N1A 169.36(13) . . ?
O3A Ga1 N1A 79.18(12) . . ?
O1A Ga1 N2H 91.84(14) . . ?
O6H Ga1 N2H 79.71(13) . . ?
O3A Ga1 N2H 92.86(13) . . ?
N1A Ga1 N2H 108.40(13) . . ?
O1A Ga1 O4A 89.24(15) . . ?
O6H Ga1 O4A 83.94(13) . . ?
O3A Ga1 O4A 88.92(14) . . ?
N1A Ga1 O4A 87.92(14) . . ?
N2H Ga1 O4A 163.63(13) . . ?
C1A O1A Ga1 127.7(3) . . ?
C7A O2A Ga2 114.7(2) . . ?
C8A O3A Ga1 112.8(2) . . ?
C14A O4A C16A 38.7(10) . . ?
C14A O4A Ga1 126.7(7) . . ?
C16A O4A Ga1 123.6(8) . . ?
C7A N1A N2A 113.2(3) . . ?
C7A N1A Ga1 129.7(3) . . ?
N2A N1A Ga1 113.7(2) . . ?
C8A N2A N1A 111.4(3) . . ?
C8A N2A Ga2 136.4(3) . . ?
N1A N2A Ga2 111.0(2) . . ?
O1A C1A C6A 116.4(4) . . ?
O1A C1A C2A 124.9(4) . . ?
C6A C1A C2A 118.6(4) . . ?
C3A C2A C1A 118.0(4) . . ?
C3A C2A C7A 117.7(4) . . ?
C1A C2A C7A 124.1(4) . . ?
C4A C3A C2A 122.5(5) . . ?
C3A C4A C5A 119.2(5) . . ?
C6A C5A C4A 120.6(4) . . ?
C5A C6A C1A 121.0(5) . . ?
O2A C7A N1A 121.2(3) . . ?
O2A C7A C2A 118.5(3) . . ?
N1A C7A C2A 120.2(4) . . ?
O3A C8A N2A 122.4(4) . . ?
O3A C8A C9A 118.3(3) . . ?
N2A C8A C9A 119.2(4) . . ?
C8A C9A C13A 111.9(5) . . ?
C8A C9A C10A 112.4(5) . . ?
C13A C9A C10A 106.0(6) . . ?
C11A C10A C9A 109.5(8) . . ?
C12A C11A C10A 102.3(9) . . ?
C13A C12A C11A 109.9(9) . . ?
C12A C13A C9A 103.7(8) . . ?
C15A C14A O4A 124(2) . . ?
O1B Ga2 O2A 96.44(14) . . ?
O1B Ga2 O3B 169.48(13) . . ?
O2A Ga2 O3B 93.22(13) . . ?
O1B Ga2 N1B 90.77(14) . . ?
O2A Ga2 N1B 169.34(14) . . ?
O3B Ga2 N1B 79.10(13) . . ?
O1B Ga2 N2A 91.77(15) . . ?
O2A Ga2 N2A 79.34(13) . . ?
O3B Ga2 N2A 94.09(14) . . ?
N1B Ga2 N2A 108.35(14) . . ?
O1B Ga2 O4B 89.5(2) . . ?
O2A Ga2 O4B 84.04(14) . . ?
O3B Ga2 O4B 87.39(18) . . ?
N1B Ga2 O4B 88.20(15) . . ?
N2A Ga2 O4B 163.37(14) . . ?
C1B O1B Ga2 127.8(3) . . ?
C7B O2B Ga3 114.3(3) . . ?
C8B O3B Ga2 113.2(3) . . ?
C24B O4B C14B 49.0(8) . . ?
C24B O4B Ga2 133.1(6) . . ?
C14B O4B Ga2 123.1(6) . . ?
C7B N1B N2B 113.4(3) . . ?
C7B N1B Ga2 129.3(3) . . ?
N2B N1B Ga2 113.9(2) . . ?
C8B N2B N1B 110.9(3) . . ?
C8B N2B Ga3 138.5(3) . . ?
N1B N2B Ga3 110.3(2) . . ?
O1B C1B C6B 117.4(5) . . ?
O1B C1B C2B 124.5(4) . . ?
C6B C1B C2B 118.1(5) . . ?
C3B C2B C1B 119.1(4) . . ?
C3B C2B C7B 117.1(4) . . ?
C1B C2B C7B 123.8(4) . . ?
C4B C3B C2B 121.3(6) . . ?
C3B C4B C5B 119.5(6) . . ?
C6B C5B C4B 120.0(5) . . ?
C5B C6B C1B 121.9(5) . . ?
O2B C7B N1B 121.6(4) . . ?
O2B C7B C2B 119.0(4) . . ?
N1B C7B C2B 119.3(4) . . ?
O3B C8B N2B 122.2(4) . . ?
O3B C8B C9B 119.8(5) . . ?
N2B C8B C9B 117.7(5) . . ?
O3B C8B C19B 119.2(12) . . ?
N2B C8B C19B 118.5(12) . . ?
C9B C8B C19B 8.1(12) . . ?
C8B C9B C10B 115.2(9) . . ?
C8B C9B C13B 112.4(10) . . ?
C10B C9B C13B 99.7(7) . . ?
C9B C10B C11B 104.6(8) . . ?
C12B C11B C10B 106.8(6) . . ?
C11B C12B C13B 104.9(7) . . ?
C9B C13B C12B 101.8(9) . . ?
C8B C19B C23B 111(2) . . ?
C8B C19B C20B 110(2) . . ?
C23B C19B C20B 102.5(14) . . ?
C22B C23B C19B 108.4(13) . . ?
O1C Ga3 O2B 99.06(16) . . ?
O1C Ga3 O3C 168.67(14) . . ?
O2B Ga3 O3C 91.47(15) . . ?
O1C Ga3 N1C 89.92(15) . . ?
O2B Ga3 N1C 168.21(14) . . ?
O3C Ga3 N1C 79.10(14) . . ?
O1C Ga3 N2B 91.02(14) . . ?
O2B Ga3 N2B 79.59(13) . . ?
O3C Ga3 N2B 94.99(14) . . ?
N1C Ga3 N2B 108.05(14) . . ?
O1C Ga3 O4C 88.98(17) . . ?
O2B Ga3 O4C 83.80(14) . . ?
O3C Ga3 O4C 88.03(17) . . ?
N1C Ga3 O4C 88.77(15) . . ?
N2B Ga3 O4C 163.18(15) . . ?
C1C O1C Ga3 128.9(3) . . ?
C7C O2C Ga4 115.6(3) . . ?
C8C O3C Ga3 112.9(3) . . ?
C24C O4C C14C 35.2(17) . . ?
C24C O4C Ga3 134.7(9) . . ?
C14C O4C Ga3 121.4(7) . . ?
C7C N1C N2C 113.9(4) . . ?
C7C N1C Ga3 130.0(3) . . ?
N2C N1C Ga3 113.4(2) . . ?
C8C N2C N1C 110.9(4) . . ?
C8C N2C Ga4 137.6(3) . . ?
N1C N2C Ga4 110.3(2) . . ?
O1C C1C C6C 117.0(5) . . ?
O1C C1C C2C 125.0(4) . . ?
C6C C1C C2C 118.0(5) . . ?
C3C C2C C1C 118.9(5) . . ?
C3C C2C C7C 116.9(5) . . ?
C1C C2C C7C 124.2(4) . . ?
C2C C3C C4C 121.6(6) . . ?
C5C C4C C3C 119.0(6) . . ?
C4C C5C C6C 120.1(6) . . ?
C5C C6C C1C 122.4(6) . . ?
O2C C7C N1C 120.4(4) . . ?
O2C C7C C2C 118.9(4) . . ?
N1C C7C C2C 120.7(4) . . ?
O3C C8C N2C 122.6(4) . . ?
O3C C8C C9C 118.8(4) . . ?
N2C C8C C9C 118.5(5) . . ?
C8C C9C C13C 110.0(6) . . ?
C8C C9C C10C 114.3(6) . . ?
C13C C9C C10C 111.6(7) . . ?
C11C C10C C9C 99.5(9) . . ?
C12C C11C C10C 109.0(9) . . ?
C13C C12C C11C 111.5(11) . . ?
C12C C13C C9C 99.3(8) . . ?
O1D Ga4 O2C 96.03(17) . . ?
O1D Ga4 O3D 168.24(17) . . ?
O2C Ga4 O3D 95.31(15) . . ?
O1D Ga4 N1D 89.78(17) . . ?
O2C Ga4 N1D 171.16(16) . . ?
O3D Ga4 N1D 78.59(16) . . ?
O1D Ga4 O4D 91.74(19) . . ?
O2C Ga4 O4D 82.13(18) . . ?
O3D Ga4 O4D 86.74(17) . . ?
N1D Ga4 O4D 91.06(19) . . ?
O1D Ga4 N2C 91.64(16) . . ?
O2C Ga4 N2C 79.51(14) . . ?
O3D Ga4 N2C 93.48(15) . . ?
N1D Ga4 N2C 107.05(16) . . ?
O4D Ga4 N2C 161.58(18) . . ?
C1D O1D Ga4 130.5(4) . . ?
C7D O2D Ga5 114.4(3) . . ?
C8D O3D Ga4 113.6(3) . . ?
C14D O4D Ga4 123.9(5) . . ?
C7D N1D N2D 114.8(4) . . ?
C7D N1D Ga4 131.1(4) . . ?
N2D N1D Ga4 113.6(3) . . ?
C8D N2D N1D 111.8(4) . . ?
C8D N2D Ga5 138.5(4) . . ?
N1D N2D Ga5 109.0(3) . . ?
O1D C1D C6D 117.9(5) . . ?
O1D C1D C2D 123.9(5) . . ?
C6D C1D C2D 118.2(5) . . ?
C3D C2D C1D 119.6(5) . . ?
C3D C2D C7D 115.8(6) . . ?
C1D C2D C7D 124.5(5) . . ?
C4D C3D C2D 120.6(7) . . ?
C5D C4D C3D 120.4(6) . . ?
C4D C5D C6D 118.8(6) . . ?
C1D C6D C5D 122.4(6) . . ?
O2D C7D N1D 122.0(5) . . ?
O2D C7D C2D 118.2(5) . . ?
N1D C7D C2D 119.7(5) . . ?
O3D C8D N2D 122.4(5) . . ?
O3D C8D C9D 118.5(4) . . ?
N2D C8D C9D 119.1(5) . . ?
C8D C9D C10D 113.8(5) . . ?
C8D C9D C13D 111.1(5) . . ?
C10D C9D C13D 104.7(6) . . ?
C11D C10D C9D 105.6(7) . . ?
C12D C11D C10D 107.0(7) . . ?
C11D C12D C13D 102.5(7) . . ?
C12D C13D C9D 103.4(7) . . ?
O4D C14D C15D 112.0(15) . . ?
O1E Ga5 O2D 96.48(17) . . ?
O1E Ga5 O3E 167.45(16) . . ?
O2D Ga5 O3E 95.61(16) . . ?
O1E Ga5 N1E 89.16(16) . . ?
O2D Ga5 N1E 169.85(17) . . ?
O3E Ga5 N1E 78.39(16) . . ?
O1E Ga5 N2D 90.78(17) . . ?
O2D Ga5 N2D 79.79(16) . . ?
O3E Ga5 N2D 94.65(16) . . ?
N1E Ga5 N2D 108.66(17) . . ?
O1E Ga5 O4E 90.41(19) . . ?
O2D Ga5 O4E 83.47(18) . . ?
O3E Ga5 O4E 87.65(18) . . ?
N1E Ga5 O4E 88.07(19) . . ?
N2D Ga5 O4E 163.24(19) . . ?
C1E O1E Ga5 127.3(3) . . ?
C7E O2E Ga6 115.0(3) . . ?
C8E O3E Ga5 113.6(3) . . ?
C14E O4E Ga5 127.6(6) . . ?
C7E N1E N2E 112.2(4) . . ?
C7E N1E Ga5 129.4(3) . . ?
N2E N1E Ga5 114.3(3) . . ?
C8E N2E N1E 110.7(5) . . ?
C8E N2E Ga6 136.8(4) . . ?
N1E N2E Ga6 111.2(3) . . ?
O1E C1E C2E 125.0(5) . . ?
O1E C1E C6E 115.0(5) . . ?
C2E C1E C6E 119.9(5) . . ?
C1E C2E C3E 119.5(5) . . ?
C1E C2E C7E 124.2(5) . . ?
C3E C2E C7E 116.2(5) . . ?
C4E C3E C2E 120.5(7) . . ?
C3E C4E C5E 119.4(7) . . ?
C6E C5E C4E 120.5(6) . . ?
C5E C6E C1E 119.8(6) . . ?
O2E C7E N1E 121.8(4) . . ?
O2E C7E C2E 117.6(4) . . ?
N1E C7E C2E 120.5(5) . . ?
O3E C8E N2E 122.6(5) . . ?
O3E C8E C9E 119.4(5) . . ?
N2E C8E C9E 117.8(5) . . ?
C8E C9E C10E 114.3(6) . . ?
C8E C9E C13E 108.7(6) . . ?
C10E C9E C13E 107.2(7) . . ?
C9E C10E C11E 98.8(9) . . ?
C12E C11E C10E 108.7(10) . . ?
C11E C12E C13E 109.2(10) . . ?
C12E C13E C9E 104.8(9) . . ?
O1F Ga6 O2E 97.02(17) . . ?
O1F Ga6 O3F 168.73(15) . . ?
O2E Ga6 O3F 94.06(16) . . ?
O1F Ga6 N1F 89.35(16) . . ?
O2E Ga6 N1F 167.89(17) . . ?
O3F Ga6 N1F 79.38(16) . . ?
O1F Ga6 N2E 90.41(17) . . ?
O2E Ga6 N2E 79.04(16) . . ?
O3F Ga6 N2E 93.71(17) . . ?
N1F Ga6 N2E 111.33(16) . . ?
O1F Ga6 O4F 89.82(18) . . ?
O2E Ga6 O4F 83.33(16) . . ?
O3F Ga6 O4F 89.43(18) . . ?
N1F Ga6 O4F 86.41(17) . . ?
N2E Ga6 O4F 162.26(15) . . ?
C1F O1F Ga6 128.9(3) . . ?
C7F O2F Ga7 113.4(3) . . ?
C8F O3F Ga6 112.3(3) . . ?
C14F O4F Ga6 128.3(5) . . ?
C7F N1F N2F 112.6(4) . . ?
C7F N1F Ga6 129.6(3) . . ?
N2F N1F Ga6 113.4(3) . . ?
C8F N2F N1F 110.7(4) . . ?
C8F N2F Ga7 138.1(3) . . ?
N1F N2F Ga7 110.2(3) . . ?
O1F C1F C6F 117.5(5) . . ?
O1F C1F C2F 125.2(5) . . ?
C6F C1F C2F 117.3(5) . . ?
C3F C2F C1F 120.9(5) . . ?
C3F C2F C7F 116.0(5) . . ?
C1F C2F C7F 123.1(5) . . ?
C2F C3F C4F 120.5(6) . . ?
C5F C4F C3F 119.2(6) . . ?
C4F C5F C6F 121.8(6) . . ?
C5F C6F C1F 120.4(6) . . ?
N1F C7F O2F 122.9(4) . . ?
N1F C7F C2F 120.0(4) . . ?
O2F C7F C2F 117.1(4) . . ?
O3F C8F N2F 123.8(5) . . ?
O3F C8F C9F 118.1(5) . . ?
N2F C8F C9F 118.1(5) . . ?
C8F C9F C13F 112.4(6) . . ?
C8F C9F C10F 111.4(6) . . ?
C13F C9F C10F 109.2(7) . . ?
C11F C10F C9F 104.1(12) . . ?
C10F C11F C12F 104.2(12) . . ?
C13F C12F C11F 106.3(15) . . ?
C12F C13F C9F 102.3(10) . . ?
C15F C14F O4F 118(3) . . ?
O1G Ga7 O2F 98.22(16) . . ?
O1G Ga7 O3G 168.70(14) . . ?
O2F Ga7 O3G 93.05(15) . . ?
O1G Ga7 N1G 89.71(15) . . ?
O2F Ga7 N1G 168.26(14) . . ?
O3G Ga7 N1G 79.03(14) . . ?
O1G Ga7 N2F 90.08(17) . . ?
O2F Ga7 N2F 79.55(15) . . ?
O3G Ga7 N2F 92.75(16) . . ?
N1G Ga7 N2F 109.23(16) . . ?
O1G Ga7 O4G 90.70(18) . . ?
O2F Ga7 O4G 83.83(15) . . ?
O3G Ga7 O4G 89.72(17) . . ?
N1G Ga7 O4G 87.45(16) . . ?
N2F Ga7 O4G 163.30(16) . . ?
C1G O1G Ga7 128.8(3) . . ?
C7G O2G Ga8 114.7(3) . . ?
C8G O3G Ga7 113.1(3) . . ?
C14G O4G Ga7 127.5(5) . . ?
C7G N1G N2G 113.6(4) . . ?
C7G N1G Ga7 130.8(3) . . ?
N2G N1G Ga7 113.2(2) . . ?
C8G N2G N1G 110.9(4) . . ?
C8G N2G Ga8 138.4(3) . . ?
N1G N2G Ga8 110.1(2) . . ?
O1G C1G C6G 117.0(5) . . ?
O1G C1G C2G 126.2(4) . . ?
C6G C1G C2G 116.8(4) . . ?
C3G C2G C1G 119.9(4) . . ?
C3G C2G C7G 117.0(4) . . ?
C1G C2G C7G 123.1(4) . . ?
C4G C3G C2G 121.4(5) . . ?
C3G C4G C5G 119.4(5) . . ?
C6G C5G C4G 121.1(5) . . ?
C5G C6G C1G 121.4(5) . . ?
O2G C7G N1G 121.8(4) . . ?
O2G C7G C2G 118.5(4) . . ?
N1G C7G C2G 119.7(4) . . ?
O3G C8G N2G 123.3(4) . . ?
O3G C8G C9G 118.5(4) . . ?
N2G C8G C9G 118.1(4) . . ?
C10G C9G C8G 118.0(7) . . ?
C10G C9G C13G 101.6(8) . . ?
C8G C9G C13G 105.0(7) . . ?
C9G C10G C11G 103.5(10) . . ?
C12G C11G C10G 113.4(9) . . ?
C11G C12G C13G 98.8(10) . . ?
C12G C13G C9G 105.2(13) . . ?
O5H Ga8 O2G 96.64(14) . . ?
O5H Ga8 O7H 168.71(14) . . ?
O2G Ga8 O7H 93.82(13) . . ?
O5H Ga8 N1H 89.91(14) . . ?
O2G Ga8 N1H 170.19(13) . . ?
O7H Ga8 N1H 79.18(13) . . ?
O5H Ga8 N2G 91.76(15) . . ?
O2G Ga8 N2G 79.48(13) . . ?
O7H Ga8 N2G 94.30(14) . . ?
N1H Ga8 N2G 107.70(14) . . ?
O5H Ga8 O8H 89.21(15) . . ?
O2G Ga8 O8H 84.38(13) . . ?
O7H Ga8 O8H 87.61(14) . . ?
N1H Ga8 O8H 88.43(14) . . ?
N2G Ga8 O8H 163.84(14) . . ?
C1H O5H Ga8 128.0(3) . . ?
C7H O6H Ga1 115.1(2) . . ?
C8H O7H Ga8 113.6(3) . . ?
C14H O8H Ga8 122.7(3) . . ?
C7H N1H N2H 113.0(3) . . ?
C7H N1H Ga8 131.4(3) . . ?
N2H N1H Ga8 113.8(2) . . ?
C8H N2H N1H 111.1(3) . . ?
C8H N2H Ga1 137.7(3) . . ?
N1H N2H Ga1 110.3(2) . . ?
O5H C1H C2H 126.6(4) . . ?
O5H C1H C6H 115.7(5) . . ?
C2H C1H C6H 117.7(5) . . ?
C3H C2H C1H 121.1(4) . . ?
C3H C2H C7H 115.5(4) . . ?
C1H C2H C7H 123.3(4) . . ?
C4H C3H C2H 119.7(6) . . ?
C5H C4H C3H 119.8(6) . . ?
C6H C5H C4H 120.6(5) . . ?
C5H C6H C1H 121.0(6) . . ?
O6H C7H N1H 121.8(4) . . ?
O6H C7H C2H 118.4(4) . . ?
N1H C7H C2H 119.7(4) . . ?
O7H C8H N2H 122.0(4) . . ?
O7H C8H C9H 118.7(4) . . ?
N2H C8H C9H 119.1(4) . . ?
C8H C9H C13H 113.5(5) . . ?
C8H C9H C10H 110.6(5) . . ?
C13H C9H C10H 106.2(6) . . ?
C11H C10H C9H 107.6(9) . . ?
C12H C11H C10H 100.9(8) . . ?
C11H C12H C13H 115.4(7) . . ?
C9H C13H C12H 98.9(8) . . ?
O1I Ga9 O2P 96.58(16) . . ?
O1I Ga9 O3I 168.46(16) . . ?
O2P Ga9 O3I 94.95(14) . . ?
O1I Ga9 N1I 89.99(17) . . ?
O2P Ga9 N1I 168.07(14) . . ?
O3I Ga9 N1I 78.58(14) . . ?
O1I Ga9 O4I 91.18(18) . . ?
O2P Ga9 O4I 82.76(16) . . ?
O3I Ga9 O4I 89.82(17) . . ?
N1I Ga9 O4I 87.18(17) . . ?
O1I Ga9 N2P 89.18(18) . . ?
O2P Ga9 N2P 78.83(14) . . ?
O3I Ga9 N2P 93.51(16) . . ?
N1I Ga9 N2P 111.31(15) . . ?
O4I Ga9 N2P 161.51(16) . . ?
C1I O1I Ga9 128.5(4) . . ?
C7I O2I Ga10 115.5(3) . . ?
C8I O3I Ga9 113.5(3) . . ?
C14I O4I C24I 79.9(13) . . ?
C14I O4I Ga9 122.2(5) . . ?
C24I O4I Ga9 123.0(11) . . ?
C7I N1I N2I 113.7(4) . . ?
C7I N1I Ga9 129.9(3) . . ?
N2I N1I Ga9 113.7(3) . . ?
C8I N2I N1I 111.4(4) . . ?
C8I N2I Ga10 137.8(3) . . ?
N1I N2I Ga10 110.5(3) . . ?
O1I C1I C6I 116.4(6) . . ?
O1I C1I C2I 124.4(4) . . ?
C6I C1I C2I 119.2(6) . . ?
C3I C2I C1I 119.1(5) . . ?
C3I C2I C7I 116.9(6) . . ?
C1I C2I C7I 123.9(5) . . ?
C4I C3I C2I 122.2(8) . . ?
C5I C4I C3I 118.7(7) . . ?
C4I C5I C6I 122.3(6) . . ?
C1I C6I C5I 118.4(7) . . ?
O2I C7I N1I 120.8(4) . . ?
O2I C7I C2I 118.3(5) . . ?
N1I C7I C2I 120.9(5) . . ?
O3I C8I N2I 122.6(4) . . ?
O3I C8I C9I 118.5(4) . . ?
N2I C8I C9I 119.0(4) . . ?
C10I C9I C13I 105.4(5) . . ?
C10I C9I C8I 115.4(5) . . ?
C13I C9I C8I 110.7(5) . . ?
C9I C10I C11I 105.8(5) . . ?
C12I C11I C10I 102.1(6) . . ?
C11I C12I C13I 101.4(6) . . ?
C9I C13I C12I 100.9(6) . . ?
O1J Ga10 O2I 96.67(17) . . ?
O1J Ga10 N1J 89.87(15) . . ?
O2I Ga10 N1J 169.53(15) . . ?
O1J Ga10 O3J 168.77(15) . . ?
O2I Ga10 O3J 94.00(16) . . ?
N1J Ga10 O3J 79.07(14) . . ?
O1J Ga10 N2I 93.63(17) . . ?
O2I Ga10 N2I 78.99(16) . . ?
N1J Ga10 N2I 108.83(15) . . ?
O3J Ga10 N2I 91.83(16) . . ?
O1J Ga10 O4J 90.61(18) . . ?
O2I Ga10 O4J 82.90(16) . . ?
N1J Ga10 O4J 88.89(15) . . ?
O3J Ga10 O4J 87.23(17) . . ?
N2I Ga10 O4J 161.76(15) . . ?
C1J O1J Ga10 128.7(3) . . ?
C7J O2J Ga11 115.1(3) . . ?
C8J O3J Ga10 113.8(3) . . ?
C14J O4J Ga10 122.7(4) . . ?
C7J N1J N2J 113.0(4) . . ?
C7J N1J Ga10 130.4(3) . . ?
N2J N1J Ga10 114.1(3) . . ?
C8J N2J N1J 110.5(4) . . ?
C8J N2J Ga11 137.4(3) . . ?
N1J N2J Ga11 110.7(3) . . ?
O1J C1J C6J 117.9(5) . . ?
O1J C1J C2J 124.7(5) . . ?
C6J C1J C2J 117.4(5) . . ?
C3J C2J C1J 119.0(5) . . ?
C3J C2J C7J 117.7(5) . . ?
C1J C2J C7J 123.3(4) . . ?
C4J C3J C2J 121.6(6) . . ?
C5J C4J C3J 119.2(5) . . ?
C4J C5J C6J 120.4(5) . . ?
C5J C6J C1J 122.3(5) . . ?
O2J C7J N1J 121.3(4) . . ?
O2J C7J C2J 117.8(4) . . ?
N1J C7J C2J 120.8(4) . . ?
O3J C8J N2J 122.4(5) . . ?
O3J C8J C19J 117.7(6) . . ?
N2J C8J C19J 115.5(6) . . ?
O3J C8J C9J 119.4(5) . . ?
N2J C8J C9J 117.3(5) . . ?
C19J C8J C9J 30.4(5) . . ?
C10J C9J C8J 106.3(8) . . ?
C10J C9J C13J 106.7(8) . . ?
C8J C9J C13J 114.3(7) . . ?
C11J C10J C9J 105.2(9) . . ?
C12J C11J C10J 108.4(9) . . ?
C13J C12J C11J 107.5(8) . . ?
C12J C13J C9J 107.3(9) . . ?
C8J C19J C23J 113.9(11) . . ?
C8J C19J C20J 103.4(9) . . ?
C23J C19J C20J 106.7(11) . . ?
C19J C23J C22J 100.9(12) . . ?
O1K Ga11 O2J 97.43(17) . . ?
O1K Ga11 O3K 168.80(16) . . ?
O2J Ga11 O3K 93.37(13) . . ?
O1K Ga11 N1K 89.14(17) . . ?
O2J Ga11 N1K 169.31(14) . . ?
O3K Ga11 N1K 79.74(14) . . ?
O1K Ga11 N2J 90.22(18) . . ?
O2J Ga11 N2J 79.80(15) . . ?
O3K Ga11 N2J 94.60(17) . . ?
N1K Ga11 N2J 108.72(16) . . ?
O1K Ga11 O4K 89.99(17) . . ?
O2J Ga11 O4K 83.50(14) . . ?
O3K Ga11 O4K 88.30(16) . . ?
N1K Ga11 O4K 88.09(15) . . ?
N2J Ga11 O4K 163.19(16) . . ?
C1K O1K Ga11 126.6(4) . . ?
C7K O2K Ga12 115.3(3) . . ?
C8K O3K Ga11 112.7(3) . . ?
C14K O4K C24K 63.9(12) . . ?
C14K O4K Ga11 122.8(4) . . ?
C24K O4K Ga11 121.8(11) . . ?
C7K N1K N2K 111.8(4) . . ?
C7K N1K Ga11 130.8(4) . . ?
N2K N1K Ga11 113.5(2) . . ?
C8K N2K N1K 111.1(4) . . ?
C8K N2K Ga12 136.7(3) . . ?
N1K N2K Ga12 111.3(2) . . ?
O1K C1K C2K 128.0(5) . . ?
O1K C1K C6K 114.9(6) . . ?
C2K C1K C6K 117.0(6) . . ?
C1K C2K C3K 121.9(5) . . ?
C1K C2K C7K 122.3(5) . . ?
C3K C2K C7K 115.8(6) . . ?
C4K C3K C2K 120.4(7) . . ?
C5K C4K C3K 118.8(6) . . ?
C4K C5K C6K 122.2(7) . . ?
C5K C6K C1K 119.6(8) . . ?
O2K C7K N1K 121.8(4) . . ?
O2K C7K C2K 117.8(4) . . ?
N1K C7K C2K 120.4(5) . . ?
O3K C8K N2K 122.3(4) . . ?
O3K C8K C9K 118.8(4) . . ?
N2K C8K C9K 118.7(4) . . ?
C8K C9K C10K 115.2(4) . . ?
C8K C9K C13K 109.8(4) . . ?
C10K C9K C13K 101.0(4) . . ?
C9K C10K C11K 103.5(5) . . ?
C12K C11K C10K 107.3(4) . . ?
C11K C12K C13K 105.8(5) . . ?
C12K C13K C9K 100.4(5) . . ?
O1L Ga12 O2K 97.66(18) . . ?
O1L Ga12 O3L 169.22(19) . . ?
O2K Ga12 O3L 92.83(15) . . ?
O1L Ga12 N1L 90.0(2) . . ?
O2K Ga12 N1L 168.99(16) . . ?
O3L Ga12 N1L 79.27(17) . . ?
O1L Ga12 N2K 91.62(16) . . ?
O2K Ga12 N2K 79.16(15) . . ?
O3L Ga12 N2K 92.79(16) . . ?
N1L Ga12 N2K 108.64(15) . . ?
O1L Ga12 O4L 89.07(18) . . ?
O2K Ga12 O4L 85.12(18) . . ?
O3L Ga12 O4L 89.35(17) . . ?
N1L Ga12 O4L 87.12(18) . . ?
N2K Ga12 O4L 164.22(18) . . ?
C1L O1L Ga12 129.3(5) . . ?
C7L O2L Ga13 116.3(4) . . ?
C8L O3L Ga12 113.3(3) . . ?
C24L O4L C14L 62.3(15) . . ?
C24L O4L Ga12 121.7(13) . . ?
C14L O4L Ga12 126.1(9) . . ?
C7L N1L N2L 114.2(5) . . ?
C7L N1L Ga12 129.8(5) . . ?
N2L N1L Ga12 114.5(3) . . ?
C8L N2L N1L 111.1(5) . . ?
C8L N2L Ga13 138.3(4) . . ?
N1L N2L Ga13 110.4(3) . . ?
O1L C1L C6L 116.8(7) . . ?
O1L C1L C2L 123.7(6) . . ?
C6L C1L C2L 119.4(7) . . ?
C1L C2L C3L 116.9(7) . . ?
C1L C2L C7L 125.1(6) . . ?
C3L C2L C7L 118.0(8) . . ?
C4L C3L C2L 122.1(11) . . ?
C3L C4L C5L 118.5(10) . . ?
C6L C5L C4L 122.4(10) . . ?
C5L C6L C1L 120.5(10) . . ?
O2L C7L N1L 118.7(6) . . ?
O2L C7L C2L 120.3(6) . . ?
N1L C7L C2L 121.0(7) . . ?
O3L C8L N2L 121.7(5) . . ?
O3L C8L C9L 118.9(5) . . ?
N2L C8L C9L 119.4(5) . . ?
C8L C9L C10L 112.4(7) . . ?
C8L C9L C13L 113.1(8) . . ?
C10L C9L C13L 105.1(8) . . ?
C11L C10L C9L 107.0(10) . . ?
C12L C11L C10L 108.4(11) . . ?
C11L C12L C13L 102.2(9) . . ?
C9L C13L C12L 103.3(10) . . ?
O4L C24L C25L 122(4) . . ?
O2L Ga13 O1M 94.4(3) . . ?
O2L Ga13 N1M 169.6(2) . . ?
O1M Ga13 N1M 90.1(2) . . ?
O2L Ga13 O3M 95.8(2) . . ?
O1M Ga13 O3M 169.7(3) . . ?
N1M Ga13 O3M 79.56(19) . . ?
O2L Ga13 N2L 80.0(2) . . ?
O1M Ga13 N2L 91.7(2) . . ?
N1M Ga13 N2L 109.3(2) . . ?
O3M Ga13 N2L 91.80(18) . . ?
O2L Ga13 O4M 81.4(3) . . ?
O1M Ga13 O4M 92.2(3) . . ?
N1M Ga13 O4M 89.1(3) . . ?
O3M Ga13 O4M 87.6(2) . . ?
N2L Ga13 O4M 161.2(3) . . ?
C1M O1M Ga13 128.7(5) . . ?
C7M O2M Ga14 114.9(5) . . ?
C8M O3M Ga13 111.9(4) . . ?
C14M O4M Ga13 121.2(8) . . ?
C7M N1M N2M 114.0(6) . . ?
C7M N1M Ga13 130.7(5) . . ?
N2M N1M Ga13 112.9(4) . . ?
C8M N2M N1M 113.0(5) . . ?
C8M N2M Ga14 135.8(4) . . ?
N1M N2M Ga14 110.1(4) . . ?
O1M C1M C2M 124.5(6) . . ?
O1M C1M C6M 115.7(8) . . ?
C2M C1M C6M 119.8(9) . . ?
C1M C2M C3M 119.6(7) . . ?
C1M C2M C7M 124.9(8) . . ?
C3M C2M C7M 115.5(8) . . ?
C2M C3M C4M 119.7(11) . . ?
C3M C4M C5M 118.4(11) . . ?
C6M C5M C4M 121.7(8) . . ?
C5M C6M C1M 120.7(10) . . ?
O2M C7M N1M 122.5(6) . . ?
O2M C7M C2M 118.2(7) . . ?
N1M C7M C2M 119.3(7) . . ?
O3M C8M N2M 122.2(5) . . ?
O3M C8M C9M 117.3(6) . . ?
N2M C8M C9M 120.5(6) . . ?
C8M C9M C10M 111.2(6) . . ?
C8M C9M C13M 114.2(5) . . ?
C10M C9M C13M 104.7(5) . . ?
C9M C10M C11M 102.7(6) . . ?
C10M C11M C12M 102.9(5) . . ?
C13M C12M C11M 103.8(5) . . ?
C12M C13M C9M 107.7(5) . . ?
O4M C14M C15M 97.9(13) . . ?
O1N Ga14 O2M 97.8(3) . . ?
O1N Ga14 O3N 168.4(2) . . ?
O2M Ga14 O3N 93.8(2) . . ?
O1N Ga14 N1N 89.5(2) . . ?
O2M Ga14 N1N 167.9(3) . . ?
O3N Ga14 N1N 78.9(2) . . ?
O1N Ga14 N2M 89.7(3) . . ?
O2M Ga14 N2M 78.4(2) . . ?
O3N Ga14 N2M 94.1(2) . . ?
N1N Ga14 N2M 111.4(2) . . ?
O1N Ga14 O4N 91.7(4) . . ?
O2M Ga14 O4N 83.0(3) . . ?
O3N Ga14 O4N 88.2(3) . . ?
N1N Ga14 O4N 87.1(2) . . ?
N2M Ga14 O4N 161.4(2) . . ?
C1N O1N Ga14 128.4(6) . . ?
C7N O2N Ga15 116.1(4) . . ?
C8N O3N Ga14 114.9(4) . . ?
C14N O4N C24N 69(2) . . ?
C14N O4N Ga14 131.4(14) . . ?
C24N O4N Ga14 116.6(15) . . ?
C7N N1N N2N 114.8(5) . . ?
C7N N1N Ga14 130.0(5) . . ?
N2N N1N Ga14 112.4(3) . . ?
C8N N2N N1N 113.4(5) . . ?
C8N N2N Ga15 137.2(5) . . ?
N1N N2N Ga15 108.7(3) . . ?
O1N C1N C6N 116.6(8) . . ?
O1N C1N C2N 123.6(8) . . ?
C6N C1N C2N 119.8(7) . . ?
C3N C2N C1N 115.5(8) . . ?
C3N C2N C7N 118.7(7) . . ?
C1N C2N C7N 125.7(7) . . ?
C4N C3N C2N 124.9(8) . . ?
C3N C4N C5N 117.9(8) . . ?
C6N C5N C4N 118.3(10) . . ?
C5N C6N C1N 123.5(10) . . ?
O2N C7N N1N 120.5(7) . . ?
O2N C7N C2N 119.4(6) . . ?
N1N C7N C2N 120.1(6) . . ?
O3N C8N N2N 120.2(7) . . ?
O3N C8N C9N 120.8(6) . . ?
N2N C8N C9N 118.9(6) . . ?
C8N C9N C10N 112.2(6) . . ?
C8N C9N C13N 111.3(8) . . ?
C10N C9N C13N 104.4(7) . . ?
C9N C10N C11N 105.2(9) . . ?
C12N C11N C10N 104.8(9) . . ?
C11N C12N C13N 104.7(13) . . ?
C12N C13N C9N 100.3(10) . . ?
O1O Ga15 O2N 98.5(2) . . ?
O1O Ga15 O3O 168.8(2) . . ?
O2N Ga15 O3O 92.10(17) . . ?
O1O Ga15 N1O 89.5(2) . . ?
O2N Ga15 N1O 170.51(15) . . ?
O3O Ga15 N1O 79.65(16) . . ?
O1O Ga15 N2N 91.3(2) . . ?
O2N Ga15 N2N 79.43(19) . . ?
O3O Ga15 N2N 94.15(18) . . ?
N1O Ga15 N2N 105.64(18) . . ?
O1O Ga15 O4O 88.88(19) . . ?
O2N Ga15 O4O 86.03(19) . . ?
O3O Ga15 O4O 88.26(18) . . ?
N1O Ga15 O4O 89.03(19) . . ?
N2N Ga15 O4O 165.3(2) . . ?
C1O O1O Ga15 127.4(4) . . ?
C7O O2O Ga16 115.0(3) . . ?
C8O O3O Ga15 113.0(3) . . ?
C14O O4O Ga15 125.5(5) . . ?
C7O N1O N2O 112.5(5) . . ?
C7O N1O Ga15 132.2(4) . . ?
N2O N1O Ga15 112.9(3) . . ?
C8O N2O N1O 110.9(4) . . ?
C8O N2O Ga16 137.8(3) . . ?
N1O N2O Ga16 110.0(3) . . ?
O1O C1O C6O 114.3(8) . . ?
O1O C1O C2O 126.2(5) . . ?
C6O C1O C2O 119.4(8) . . ?
C3O C2O C1O 119.0(6) . . ?
C3O C2O C7O 117.7(8) . . ?
C1O C2O C7O 123.2(6) . . ?
C2O C3O C4O 121.6(11) . . ?
C5O C4O C3O 119.9(11) . . ?
C4O C5O C6O 120.6(8) . . ?
C1O C6O C5O 119.1(10) . . ?
O2O C7O N1O 122.8(5) . . ?
O2O C7O C2O 117.8(5) . . ?
N1O C7O C2O 119.3(6) . . ?
O3O C8O N2O 123.0(4) . . ?
O3O C8O C9O 119.2(5) . . ?
N2O C8O C9O 117.6(5) . . ?
O3O C8O C19O 122.7(11) . . ?
N2O C8O C19O 112.2(11) . . ?
C9O C8O C19O 20.6(8) . . ?
C8O C9O C10O 113.2(5) . . ?
C8O C9O C13O 112.8(6) . . ?
C10O C9O C13O 99.6(5) . . ?
C11O C10O C9O 100.7(5) . . ?
C12O C11O C10O 109.2(6) . . ?
C11O C12O C13O 104.3(6) . . ?
C12O C13O C9O 103.9(7) . . ?
C8O C19O C23O 113(2) . . ?
C8O C19O C20O 106.3(17) . . ?
C23O C19O C20O 104.0(15) . . ?
C19O C23O C22O 108.7(16) . . ?
O4O C14O C15O 121.1(14) . . ?
O1P Ga16 O2O 96.63(17) . . ?
O1P Ga16 N1P 90.11(16) . . ?
O2O Ga16 N1P 169.74(18) . . ?
O1P Ga16 O3P 169.01(17) . . ?
O2O Ga16 O3P 93.96(16) . . ?
N1P Ga16 O3P 79.01(15) . . ?
O1P Ga16 N2O 89.88(18) . . ?
O2O Ga16 N2O 79.37(17) . . ?
N1P Ga16 N2O 108.47(15) . . ?
O3P Ga16 N2O 94.97(17) . . ?
O1P Ga16 O4P 89.34(19) . . ?
O2O Ga16 O4P 83.27(19) . . ?
N1P Ga16 O4P 89.10(18) . . ?
O3P Ga16 O4P 88.98(19) . . ?
N2O Ga16 O4P 162.41(17) . . ?
C1P O1P Ga16 128.7(4) . . ?
C7P O2P Ga9 116.0(3) . . ?
C8P O3P Ga16 113.6(3) . . ?
C16P O4P C14P 63.9(14) . . ?
C16P O4P Ga16 123.3(8) . . ?
C14P O4P Ga16 125.8(8) . . ?
C7P N1P N2P 111.4(4) . . ?
C7P N1P Ga16 131.0(3) . . ?
N2P N1P Ga16 114.6(3) . . ?
C8P N2P N1P 110.4(4) . . ?
C8P N2P Ga9 137.4(4) . . ?
N1P N2P Ga9 111.4(2) . . ?
O1P C1P C2P 125.0(4) . . ?
O1P C1P C6P 118.0(6) . . ?
C2P C1P C6P 116.9(5) . . ?
C1P C2P C3P 119.1(4) . . ?
C1P C2P C7P 124.7(4) . . ?
C3P C2P C7P 116.1(5) . . ?
C4P C3P C2P 121.7(6) . . ?
C3P C4P C5P 120.2(5) . . ?
C4P C5P C6P 119.6(5) . . ?
C5P C6P C1P 122.4(7) . . ?
O2P C7P N1P 122.0(4) . . ?
O2P C7P C2P 119.5(4) . . ?
N1P C7P C2P 118.5(5) . . ?
O3P C8P N2P 121.9(4) . . ?
O3P C8P C9P 120.1(4) . . ?
N2P C8P C9P 117.6(5) . . ?
C8P C9P C10P 115.8(7) . . ?
C8P C9P C13P 104.5(6) . . ?
C10P C9P C13P 96.6(6) . . ?
C9P C10P C11P 102.4(7) . . ?
C12P C11P C10P 110.0(7) . . ?
C13P C12P C11P 103.4(8) . . ?
C12P C13P C9P 104.0(8) . . ?
C15P C14P O4P 117(3) . . ?
O1S C1S C2S 108.7(7) . . ?
C41S C31S O21S 126.9(18) . . ?
O3S C5S C6S 100.2(14) . . ?
C8S C7S O4S 114.3(13) . . ?
C10S C9S O5S 101(2) . . ?
C13S C12S O7S 137(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ga1 O1A 1.921(3) . ?
Ga1 O6H 1.935(3) . ?
Ga1 O3A 1.968(3) . ?
Ga1 N1A 1.985(3) . ?
Ga1 N2H 2.061(3) . ?
Ga1 O4A 2.082(3) . ?
O1A C1A 1.336(5) . ?
O2A C7A 1.286(5) . ?
O2A Ga2 1.954(3) . ?
O3A C8A 1.290(5) . ?
O4A C14A 1.409(12) . ?
O4A C16A 1.517(18) . ?
N1A C7A 1.330(5) . ?
N1A N2A 1.397(4) . ?
N2A C8A 1.307(5) . ?
N2A Ga2 2.051(3) . ?
C1A C6A 1.408(6) . ?
C1A C2A 1.426(6) . ?
C2A C3A 1.402(6) . ?
C2A C7A 1.462(5) . ?
C3A C4A 1.370(7) . ?
C4A C5A 1.389(9) . ?
C5A C6A 1.380(8) . ?
C8A C9A 1.494(6) . ?
C9A C13A 1.543(9) . ?
C9A C10A 1.559(9) . ?
C10A C11A 1.545(12) . ?
C11A C12A 1.537(16) . ?
C12A C13A 1.525(13) . ?
C14A C15A 1.36(4) . ?
Ga2 O1B 1.911(4) . ?
Ga2 O3B 1.973(3) . ?
Ga2 N1B 1.986(3) . ?
Ga2 O4B 2.087(4) . ?
O1B C1B 1.336(6) . ?
O2B C7B 1.301(5) . ?
O2B Ga3 1.932(3) . ?
O3B C8B 1.288(5) . ?
O4B C24B 1.326(11) . ?
O4B C14B 1.376(10) . ?
N1B C7B 1.306(5) . ?
N1B N2B 1.404(5) . ?
N2B C8B 1.323(5) . ?
N2B Ga3 2.051(3) . ?
C1B C6B 1.400(7) . ?
C1B C2B 1.414(7) . ?
C2B C3B 1.413(7) . ?
C2B C7B 1.474(6) . ?
C3B C4B 1.363(8) . ?
C4B C5B 1.403(10) . ?
C5B C6B 1.369(9) . ?
C8B C9B 1.445(15) . ?
C8B C19B 1.54(3) . ?
C9B C10B 1.545(12) . ?
C9B C13B 1.559(13) . ?
C10B C11B 1.569(11) . ?
C11B C12B 1.490(13) . ?
C12B C13B 1.566(11) . ?
C19B C23B 1.558(18) . ?
C19B C20B 1.583(18) . ?
C22B C23B 1.557(17) . ?
Ga3 O1C 1.916(3) . ?
Ga3 O3C 1.967(3) . ?
Ga3 N1C 1.987(4) . ?
Ga3 O4C 2.082(3) . ?
O1C C1C 1.342(6) . ?
O2C C7C 1.292(6) . ?
O2C Ga4 1.942(4) . ?
O3C C8C 1.278(6) . ?
O4C C24C 1.42(2) . ?
O4C C14C 1.461(16) . ?
N1C C7C 1.328(5) . ?
N1C N2C 1.407(5) . ?
N2C C8C 1.311(6) . ?
N2C Ga4 2.060(4) . ?
C1C C6C 1.393(7) . ?
C1C C2C 1.403(8) . ?
C2C C3C 1.389(7) . ?
C2C C7C 1.453(7) . ?
C3C C4C 1.401(9) . ?
C4C C5C 1.362(11) . ?
C5C C6C 1.371(8) . ?
C8C C9C 1.500(7) . ?
C9C C13C 1.564(10) . ?
C9C C10C 1.564(12) . ?
C10C C11C 1.558(13) . ?
C11C C12C 1.524(15) . ?
C12C C13C 1.507(12) . ?
Ga4 O1D 1.898(4) . ?
Ga4 O3D 1.985(4) . ?
Ga4 N1D 2.002(4) . ?
Ga4 O4D 2.057(4) . ?
O1D C1D 1.339(7) . ?
O2D C7D 1.272(7) . ?
O2D Ga5 1.951(4) . ?
O3D C8D 1.286(6) . ?
O4D C14D 1.433(8) . ?
N1D C7D 1.303(7) . ?
N1D N2D 1.408(6) . ?
N2D C8D 1.304(7) . ?
N2D Ga5 2.063(4) . ?
C1D C6D 1.395(8) . ?
C1D C2D 1.410(9) . ?
C2D C3D 1.403(8) . ?
C2D C7D 1.485(8) . ?
C3D C4D 1.395(10) . ?
C4D C5D 1.384(11) . ?
C5D C6D 1.396(9) . ?
C8D C9D 1.493(8) . ?
C9D C10D 1.553(9) . ?
C9D C13D 1.553(9) . ?
C10D C11D 1.535(11) . ?
C11D C12D 1.518(13) . ?
C12D C13D 1.532(11) . ?
C14D C15D 1.60(4) . ?
Ga5 O1E 1.921(4) . ?
Ga5 O3E 1.976(3) . ?
Ga5 N1E 2.003(5) . ?
Ga5 O4E 2.084(4) . ?
O1E C1E 1.364(7) . ?
O2E C7E 1.293(7) . ?
O2E Ga6 1.941(4) . ?
O3E C8E 1.291(7) . ?
O4E C14E 1.428(10) . ?
N1E C7E 1.323(7) . ?
N1E N2E 1.404(5) . ?
N2E C8E 1.309(7) . ?
N2E Ga6 2.057(5) . ?
C1E C2E 1.378(8) . ?
C1E C6E 1.429(7) . ?
C2E C3E 1.401(8) . ?
C2E C7E 1.475(7) . ?
C3E C4E 1.387(9) . ?
C4E C5E 1.410(12) . ?
C5E C6E 1.357(10) . ?
C8E C9E 1.491(8) . ?
C9E C10E 1.559(11) . ?
C9E C13E 1.566(11) . ?
C10E C11E 1.573(14) . ?
C11E C12E 1.463(16) . ?
C12E C13E 1.493(14) . ?
Ga6 O1F 1.921(4) . ?
Ga6 O3F 1.979(4) . ?
Ga6 N1F 1.989(4) . ?
Ga6 O4F 2.112(4) . ?
O1F C1F 1.321(7) . ?
O2F C7F 1.296(6) . ?
O2F Ga7 1.949(3) . ?
O3F C8F 1.287(6) . ?
O4F C14F 1.395(9) . ?
N1F C7F 1.293(6) . ?
N1F N2F 1.420(5) . ?
N2F C8F 1.302(7) . ?
N2F Ga7 2.043(4) . ?
C1F C6F 1.400(8) . ?
C1F C2F 1.400(7) . ?
C2F C3F 1.383(8) . ?
C2F C7F 1.501(6) . ?
C3F C4F 1.391(8) . ?
C4F C5F 1.340(10) . ?
C5F C6F 1.394(9) . ?
C8F C9F 1.513(7) . ?
C9F C13F 1.532(10) . ?
C9F C10F 1.556(10) . ?
C10F C11F 1.512(17) . ?
C11F C12F 1.560(19) . ?
C12F C13F 1.471(14) . ?
C14F C15F 1.18(4) . ?
Ga7 O1G 1.928(4) . ?
Ga7 O3G 1.979(3) . ?
Ga7 N1G 2.006(4) . ?
Ga7 O4G 2.050(4) . ?
O1G C1G 1.325(6) . ?
O2G C7G 1.277(6) . ?
O2G Ga8 1.946(3) . ?
O3G C8G 1.272(6) . ?
O4G C14G 1.365(9) . ?
N1G C7G 1.311(6) . ?
N1G N2G 1.409(5) . ?
N2G C8G 1.321(5) . ?
N2G Ga8 2.051(4) . ?
C1G C6G 1.419(7) . ?
C1G C2G 1.421(7) . ?
C2G C3G 1.397(6) . ?
C2G C7G 1.491(6) . ?
C3G C4G 1.372(7) . ?
C4G C5G 1.378(9) . ?
C5G C6G 1.368(8) . ?
C8G C9G 1.493(7) . ?
C9G C10G 1.490(12) . ?
C9G C13G 1.653(15) . ?
C10G C11G 1.574(14) . ?
C11G C12G 1.510(16) . ?
C12G C13G 1.523(15) . ?
C22G C23G 1.539(15) . ?
Ga8 O5H 1.924(3) . ?
Ga8 O7H 1.968(3) . ?
Ga8 N1H 1.978(3) . ?
Ga8 O8H 2.097(3) . ?
O5H C1H 1.334(6) . ?
O6H C7H 1.288(5) . ?
O7H C8H 1.284(5) . ?
O8H C14H 1.452(8) . ?
N1H C7H 1.323(5) . ?
N1H N2H 1.412(4) . ?
N2H C8H 1.315(5) . ?
C1H C2H 1.398(7) . ?
C1H C6H 1.421(7) . ?
C2H C3H 1.396(7) . ?
C2H C7H 1.476(6) . ?
C3H C4H 1.396(8) . ?
C4H C5H 1.391(12) . ?
C5H C6H 1.369(10) . ?
C8H C9H 1.494(6) . ?
C9H C13H 1.552(9) . ?
C9H C10H 1.557(11) . ?
C10H C11H 1.511(10) . ?
C11H C12H 1.500(14) . ?
C12H C13H 1.580(12) . ?
Ga9 O1I 1.927(4) . ?
Ga9 O2P 1.938(3) . ?
Ga9 O3I 1.973(3) . ?
Ga9 N1I 1.996(4) . ?
Ga9 O4I 2.054(4) . ?
Ga9 N2P 2.063(4) . ?
O1I C1I 1.349(8) . ?
O2I C7I 1.279(7) . ?
O2I Ga10 1.941(4) . ?
O3I C8I 1.279(6) . ?
O4I C14I 1.476(10) . ?
O4I C24I 1.510(19) . ?
N1I C7I 1.315(7) . ?
N1I N2I 1.398(5) . ?
N2I C8I 1.305(6) . ?
N2I Ga10 2.049(4) . ?
C1I C6I 1.403(7) . ?
C1I C2I 1.434(9) . ?
C2I C3I 1.410(9) . ?
C2I C7I 1.461(7) . ?
C3I C4I 1.383(8) . ?
C4I C5I 1.367(13) . ?
C5I C6I 1.446(11) . ?
C8I C9I 1.527(6) . ?
C9I C10I 1.499(10) . ?
C9I C13I 1.527(9) . ?
C10I C11I 1.615(9) . ?
C11I C12I 1.513(11) . ?
C12I C13I 1.555(8) . ?
Ga10 O1J 1.906(4) . ?
Ga10 N1J 1.976(4) . ?
Ga10 O3J 1.982(3) . ?
Ga10 O4J 2.083(4) . ?
O1J C1J 1.342(6) . ?
O2J C7J 1.301(6) . ?
O2J Ga11 1.931(3) . ?
O3J C8J 1.264(6) . ?
O4J C14J 1.488(7) . ?
N1J C7J 1.319(6) . ?
N1J N2J 1.417(5) . ?
N2J C8J 1.330(6) . ?
N2J Ga11 2.052(4) . ?
C1J C6J 1.405(8) . ?
C1J C2J 1.425(7) . ?
C2J C3J 1.407(7) . ?
C2J C7J 1.455(7) . ?
C3J C4J 1.390(8) . ?
C4J C5J 1.375(9) . ?
C5J C6J 1.379(8) . ?
C8J C19J 1.521(13) . ?
C8J C9J 1.551(10) . ?
C9J C10J 1.526(13) . ?
C9J C13J 1.568(11) . ?
C10J C11J 1.524(12) . ?
C11J C12J 1.518(15) . ?
C12J C13J 1.500(14) . ?
C19J C23J 1.547(15) . ?
C19J C20J 1.584(15) . ?
C22J C23J 1.552(17) . ?
Ga11 O1K 1.917(4) . ?
Ga11 O3K 1.954(3) . ?
Ga11 N1K 1.991(4) . ?
Ga11 O4K 2.069(4) . ?
O1K C1K 1.364(7) . ?
O2K C7K 1.273(7) . ?
O2K Ga12 1.929(4) . ?
O3K C8K 1.296(6) . ?
O4K C14K 1.464(9) . ?
O4K C24K 1.53(3) . ?
N1K C7K 1.334(6) . ?
N1K N2K 1.395(6) . ?
N2K C8K 1.325(5) . ?
N2K Ga12 2.047(4) . ?
C1K C2K 1.386(9) . ?
C1K C6K 1.415(9) . ?
C2K C3K 1.399(7) . ?
C2K C7K 1.454(7) . ?
C3K C4K 1.379(9) . ?
C4K C5K 1.356(14) . ?
C5K C6K 1.405(12) . ?
C8K C9K 1.481(7) . ?
C9K C10K 1.504(7) . ?
C9K C13K 1.603(8) . ?
C10K C11K 1.554(7) . ?
C11K C12K 1.509(9) . ?
C12K C13K 1.537(8) . ?
Ga12 O1L 1.926(4) . ?
Ga12 O3L 1.973(4) . ?
Ga12 N1L 1.979(5) . ?
Ga12 O4L 2.068(4) . ?
O1L C1L 1.325(8) . ?
O2L C7L 1.314(9) . ?
O2L Ga13 1.901(6) . ?
O3L C8L 1.297(7) . ?
O4L C24L 1.41(3) . ?
O4L C14L 1.430(15) . ?
N1L C7L 1.319(7) . ?
N1L N2L 1.401(7) . ?
N2L C8L 1.325(7) . ?
N2L Ga13 2.032(5) . ?
C1L C6L 1.409(10) . ?
C1L C2L 1.415(11) . ?
C2L C3L 1.433(10) . ?
C2L C7L 1.441(10) . ?
C3L C4L 1.364(16) . ?
C4L C5L 1.383(19) . ?
C5L C6L 1.344(14) . ?
C8L C9L 1.479(9) . ?
C9L C10L 1.527(13) . ?
C9L C13L 1.527(13) . ?
C10L C11L 1.489(14) . ?
C11L C12L 1.487(16) . ?
C12L C13L 1.568(12) . ?
C24L C25L 1.56(2) . ?
Ga13 O1M 1.920(5) . ?
Ga13 N1M 1.988(7) . ?
Ga13 O3M 2.000(4) . ?
Ga13 O4M 2.098(6) . ?
O1M C1M 1.336(12) . ?
O2M C7M 1.268(10) . ?
O2M Ga14 1.954(5) . ?
O3M C8M 1.291(8) . ?
O4M C14M 1.476(15) . ?
N1M C7M 1.284(11) . ?
N1M N2M 1.397(6) . ?
N2M C8M 1.310(9) . ?
N2M Ga14 2.068(6) . ?
C1M C2M 1.389(12) . ?
C1M C6M 1.419(9) . ?
C2M C3M 1.408(14) . ?
C2M C7M 1.487(8) . ?
C3M C4M 1.409(12) . ?
C4M C5M 1.423(19) . ?
C5M C6M 1.319(17) . ?
C8M C9M 1.516(8) . ?
C9M C10M 1.527(9) . ?
C9M C13M 1.564(9) . ?
C10M C11M 1.528(8) . ?
C11M C12M 1.563(9) . ?
C12M C13M 1.493(8) . ?
C14M C15M 1.56(2) . ?
Ga14 O1N 1.939(7) . ?
Ga14 O3N 1.974(5) . ?
Ga14 N1N 1.996(5) . ?
Ga14 O4N 2.080(7) . ?
O1N C1N 1.359(10) . ?
O2N C7N 1.274(8) . ?
O2N Ga15 1.939(5) . ?
O3N C8N 1.286(7) . ?
O4N C14N 1.42(3) . ?
O4N C24N 1.46(2) . ?
N1N C7N 1.319(8) . ?
N1N N2N 1.416(8) . ?
N2N C8N 1.305(8) . ?
N2N Ga15 2.074(4) . ?
C1N C6N 1.401(14) . ?
C1N C2N 1.416(11) . ?
C2N C3N 1.412(10) . ?
C2N C7N 1.442(10) . ?
C3N C4N 1.377(12) . ?
C4N C5N 1.431(14) . ?
C5N C6N 1.363(13) . ?
C8N C9N 1.458(11) . ?
C9N C10N 1.535(12) . ?
C9N C13N 1.577(11) . ?
C10N C11N 1.565(12) . ?
C11N C12N 1.501(15) . ?
C12N C13N 1.505(15) . ?
Ga15 O1O 1.934(4) . ?
Ga15 O3O 1.975(3) . ?
Ga15 N1O 1.988(5) . ?
Ga15 O4O 2.083(4) . ?
O1O C1O 1.347(9) . ?
O2O C7O 1.257(8) . ?
O2O Ga16 1.947(4) . ?
O3O C8O 1.270(7) . ?
O4O C14O 1.404(10) . ?
N1O C7O 1.315(7) . ?
N1O N2O 1.423(5) . ?
N2O C8O 1.320(7) . ?
N2O Ga16 2.051(4) . ?
C1O C6O 1.412(9) . ?
C1O C2O 1.416(11) . ?
C2O C3O 1.373(11) . ?
C2O C7O 1.483(8) . ?
C3O C4O 1.402(12) . ?
C4O C5O 1.35(2) . ?
C5O C6O 1.418(16) . ?
C8O C9O 1.507(8) . ?
C8O C19O 1.52(3) . ?
C9O C10O 1.555(8) . ?
C9O C13O 1.573(10) . ?
C10O C11O 1.538(9) . ?
C11O C12O 1.502(12) . ?
C12O C13O 1.537(10) . ?
C19O C23O 1.543(18) . ?
C19O C20O 1.580(17) . ?
C22O C23O 1.557(19) . ?
C14O C15O 1.46(3) . ?
Ga16 O1P 1.912(3) . ?
Ga16 N1P 1.966(4) . ?
Ga16 O3P 1.975(3) . ?
Ga16 O4P 2.095(4) . ?
O1P C1P 1.337(6) . ?
O2P C7P 1.270(7) . ?
O3P C8P 1.276(7) . ?
O4P C16P 1.437(15) . ?
O4P C14P 1.505(18) . ?
N1P C7P 1.342(5) . ?
N1P N2P 1.410(6) . ?
N2P C8P 1.330(6) . ?
C1P C2P 1.402(8) . ?
C1P C6P 1.403(7) . ?
C2P C3P 1.408(7) . ?
C2P C7P 1.474(7) . ?
C3P C4P 1.352(8) . ?
C4P C5P 1.364(11) . ?
C5P C6P 1.376(9) . ?
C8P C9P 1.486(8) . ?
C9P C10P 1.515(9) . ?
C9P C13P 1.701(12) . ?
C10P C11P 1.548(11) . ?
C11P C12P 1.525(13) . ?
C12P C13P 1.511(12) . ?
C22P C23P 1.515(18) . ?
C14P C15P 1.475(19) . ?
O1S C1S 1.421(8) . ?
C1S C2S 1.608(16) . ?
O21S C31S 1.413(16) . ?
C31S C41S 1.30(3) . ?
O3S C5S 1.417(8) . ?
C5S C6S 1.72(4) . ?
O4S C7S 1.440(10) . ?
C7S C8S 1.29(2) . ?
O5S C9S 1.455(9) . ?
C9S C10S 1.18(5) . ?
O6S C11S 1.42(3) . ?
O61S C21S 1.50(3) . ?
O7S C12S 1.471(18) . ?
C12S C13S 1.374(18) . ?
O1T C1T 1.426(8) . ?
O2T C2T 1.462(13) . ?
O3T C3T 1.362(9) . ?
O4T C4T 1.381(12) . ?
O5T C5T 1.351(11) . ?
O6T C6T 1.448(11) . ?
O7T C7T 1.470(10) . ?
O8T C8T 1.565(15) . ?
O9T C9T 1.43(2) . ?
O10T C10T 1.45(3) . ?
O11T C11T 1.613(19) . ?
