# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_tl160_0m_sq
_database_code_depnum_ccdc_archive 'CCDC 2412013'
loop_
_audit_author_name
_audit_author_address
'Matthias Zeller'
;Purdue University
United States of America
;
_audit_update_record             
;
2024-12-20 deposited with the CCDC.	2025-05-14 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT420_tl160_0m_sq         
;
PROBLEM: D-H Bond Without Acceptor  O4_4     --H4B_4    .     Please Check 
RESPONSE: I'll defined solvate content was handled using reverse Fourier transform 
methods (Squeeze). H4B_4 points into this void space.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C107 H71 N13 O56 Ga8 Nd2, 3.218(C3 H7 N O), 1.869(H2 O)'
_chemical_formula_sum            'C116.654 H97.264 Ga8 N16.218 Nd2 O61.087'
_chemical_formula_weight         3549.90

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'
Nd Nd -0.1943 3.0179 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 2/m'
_space_group_name_Hall           '-C 2y'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'

_cell_length_a                   25.4801(15)
_cell_length_b                   23.6113(15)
_cell_length_c                   20.8659(15)
_cell_angle_alpha                90
_cell_angle_beta                 127.581(4)
_cell_angle_gamma                90
_cell_volume                     9948.4(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9840
_cell_measurement_theta_min      2.1900
_cell_measurement_theta_max      30.5143

_exptl_crystal_description       wedge
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.185
_exptl_crystal_F_000             3535
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.220
_exptl_absorpt_coefficient_mu    1.647
_shelx_estimated_absorpt_T_min   0.545
_shelx_estimated_absorpt_T_max   0.713
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5678
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine focus sealed tube X-ray source'
_diffrn_source_current           '30 mA'
_diffrn_source_voltage           '50 kV'
_diffrn_radiation_monochromator  'Triumph curved graphite crystal'
_diffrn_measurement_device       'three circle diffractometer'
_diffrn_measurement_device_type  'Bruker AXS D8 Quest'
_diffrn_detector_type            
'PhotonII charge-integrating pixel array (CPAD)'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean 7.4074

_diffrn_reflns_number            52127
_diffrn_reflns_av_unetI/netI     0.0406
_diffrn_reflns_av_R_equivalents  0.0356
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.017
_diffrn_reflns_theta_max         30.562
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             15485
_reflns_number_gt                12656
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Apex4 v2022.1-1 (Bruker, 2022)'
_computing_cell_refinement       'SAINT V8.40B (Bruker, 2020)'
_computing_data_reduction        'SAINT V8.40B (Bruker, 2020)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015b)'
_computing_structure_refinement  
;  
SHELXL-2018/3 (Sheldrick, 2015a, 2018), 
SHELXLE Rev1385 (Hübschle et al., 2011)
;
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
The unit cell metrically fits a double the volume orthorhombic F-centered 
cell but the structure realizes only monoclinic C-centered symmetry. No 
twinning by the higher metric symmetry was observed. 

Extensive systematic disorder is observed. The main molecule is bisected 
by a two-fold axis and by a mirror plane and is located on an inversion 
center. The two-fold symmetry is molecular symmetry, creating the upper 
half of the molecule from the lower half. The inversion and mirror symmetry 
are incompatible with the molecular symmetry and create 1:1 disorder for all 
atoms other than the Nd atom. Whole molecule disorder was thus modeled for 
half a molecule (the other two halves being created by the two-fold axis). 

Attempts have been made to refine the structure in C2 and P1 (without 
inversion centers and mirror planes) under inclusion of possible twin 
operations. 1:1 disorder did however persist and no better fit to the data 
was observed. Thus the highest possible symmetry, C2/m, was used. 

The four chemically equivalent hydroxamate moieties (including the Ga 
ions and the Ga coordinated O atoms) as well as the two chemically 
equivalent isophthalate ligands were each restrained to have similar 
geometries (SAME commands of Shelx). Hydroxamate benzene rings (which 
overlap with their counterparts created by the mirror plane) were constrained 
to resemble ideal hexagons with C-C distances of 1.39 Angstrom (AFIX 66 
command of Shelxl). The maleimide bound to the isophthalate shows 
pronounced libration and rotation. No attempts were made to model 
disorder beyond the 1:1 systematic disorder. All maleimide bond distances 
and some 1,3 distances (angles) were restrained to target values 
(taken from CSD entry QUBQOT) as follows: 

DFIX_* 1.383 N2 C16 N2 C19
DFIX_* 2.278 C16 C19
DFIX_* 1.215 C16 O9 C19 O10
DFIX_* 1.506 C16 C17 C18 C19
DFIX_* 1.319 C17 C18

Both maleimide moieties were also restrained to be close4 to planar. 

Uij components of ADPs for all atoms closer to each other than 
4.0 Angstrom were restrained to be similar (SIMU 0.02 0.02 4 restraint 
of Shelxl). 

Additional disorder was observed for the "top" section of the molecules. 
The oxygen atom attached to one of the gallium atoms was identified as 
belonging to a DMF molecule. The others were refined as water molecules. 
Hydrogen bound to these are several disordered and partially occupied 
solvate DMF molecules. All DMF molecules were restrained to have similar 
geometries (SAME command of Shelxl), and all DMF molecules with an 
occupancy smaller than 0.5 were also restrained to be close to planar. 
Additional electron density maxima not fitting DMF molecules were 
refined as partially occupied water molecules. For most sites, no 
attempts were made to constrain site occupancy to unity, resulting 
in not fully occupied sites due to unresolved (semi-liquid or highly 
disordered) solvate molecules. 

Water H atom positions were initially refined and O-H and H...H distances 
were restrained to 0.84(2) and 1.36(2) Angstrom, respectively, while a 
damping factor was applied. H atom positions were further restrained based 
on hydrogen bonding considerations. In the final refinement cycles the 
H atoms were set to ride on their carrier oxygen atom (AFIX 3) and the 
damping factor was removed. 

Subject to these conditions occupancies for DMF and water molecules 
refined to the values given in the tables of the cif. 

Attempts were made to localize counter-cations required for charge 
balance. Possible are ammonium, triethyl ammonium or sodium. Within 
the resolved sections of the structure none could be found, making 
highly disordered triethyl ammonium cations residing within the 
unresolved solvate sections of the structure the most likely case. 

The structure contains additional 2582 Ang3 of solvent accessible 
voids. No substantial electron density peaks were found in the 
solvent accessible voids (less than 1.4 electrons per cubic Angstrom) 
and the residual electron density peaks are not arranged in an 
interpretable pattern. The structure factors were instead augmented 
via reverse Fourier transform methods using the SQUEEZE routine (P. 
van der Sluis & A.L. Spek (1990). Acta Cryst. A46, 194-201) as 
implemented in the program Platon. The resultant FAB file containing the 
structure factor contribution from the electron content of the void 
space was used in together with the original hkl file in the further 
refinement. (The FAB file with details of the Squeeze results is 
appended to this cif file). The Squeeze procedure corrected for 512 
electrons within the solvent accessible voids.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1210P)²+21.0918P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15485
_refine_ls_number_parameters     1017
_refine_ls_number_restraints     4610
_refine_ls_R_factor_all          0.0757
_refine_ls_R_factor_gt           0.0636
_refine_ls_wR_factor_ref         0.1958
_refine_ls_wR_factor_gt          0.1821
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_restrained_S_all      0.984
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Nd1 Nd 0.55212(2) 0.500000 0.70247(2) 0.03749(8) Uani 1 2 d S TU P . .
N1_5 N 0.5835(8) 0.4691(7) 1.0024(7) 0.068(3) Uani 0.25 1 d D U P A -1
C1_5 C 0.5559(8) 0.4616(8) 0.9265(8) 0.063(3) Uani 0.25 1 d D U P A -1
H1_5 H 0.577058 0.476165 0.905129 0.076 Uiso 0.25 1 calc R U P A -1
C2_5 C 0.5570(11) 0.4441(11) 1.0421(12) 0.087(5) Uani 0.25 1 d D U P A -1
H2A_5 H 0.585216 0.454929 1.099283 0.131 Uiso 0.25 1 calc R U P A -1
H2B_5 H 0.511911 0.458055 1.015754 0.131 Uiso 0.25 1 calc R U P A -1
H2C_5 H 0.556252 0.402757 1.037570 0.131 Uiso 0.25 1 calc R U P A -1
C3_5 C 0.6485(9) 0.4954(18) 1.0569(9) 0.066(3) Uani 0.25 1 d D U P A -1
H3A_5 H 0.660809 0.497269 1.111466 0.079 Uiso 0.25 1 calc R U P A -1
H3B_5 H 0.681291 0.472883 1.057960 0.079 Uiso 0.25 1 calc R U P A -1
H3C_5 H 0.646967 0.533778 1.037942 0.079 Uiso 0.25 1 calc R U P A -1
O2_5 O 0.7866(6) 0.4781(5) 1.0754(6) 0.071(3) Uani 0.284(7) 1 d D U P B -1
C7_5 C 0.8506(8) 0.4824(7) 1.1183(10) 0.084(4) Uani 0.284(7) 1 d D U P B -1
H7_5 H 0.872616 0.460395 1.103063 0.100 Uiso 0.284(7) 1 calc R U P B -1
N3_5 N 0.8855(8) 0.5150(7) 1.1804(10) 0.100(5) Uani 0.284(7) 1 d D U P B -1
C8_5 C 0.8592(11) 0.5502(11) 1.2140(15) 0.110(6) Uani 0.284(7) 1 d D U P B -1
H8A_5 H 0.839297 0.584758 1.181555 0.165 Uiso 0.284(7) 1 calc R U P B -1
H8B_5 H 0.895387 0.560435 1.270001 0.165 Uiso 0.284(7) 1 calc R U P B -1
H8C_5 H 0.825542 0.528780 1.212453 0.165 Uiso 0.284(7) 1 calc R U P B -1
C9_5 C 0.9563(9) 0.5228(10) 1.2240(15) 0.112(6) Uani 0.284(7) 1 d D U P B -1
H9A_5 H 0.970349 0.503085 1.195372 0.169 Uiso 0.284(7) 1 calc R U P B -1
H9B_5 H 0.980255 0.507339 1.278692 0.169 Uiso 0.284(7) 1 calc R U P B -1
H9C_5 H 0.966113 0.563319 1.227143 0.169 Uiso 0.284(7) 1 calc R U P B -1
O1_5 O 0.6580(11) 0.6462(8) 1.0399(11) 0.089(4) Uani 0.2291(16) 1 d D U P C -1
C4_5 C 0.6471(12) 0.7003(9) 1.0366(13) 0.089(4) Uani 0.2291(16) 1 d D U P C -1
H4_5 H 0.612065 0.720544 0.990682 0.107 Uiso 0.2291(16) 1 calc R U P C -1
N2_5 N 0.6932(10) 0.7220(7) 1.1081(11) 0.088(5) Uani 0.2291(16) 1 d D U P C -1
C5_5 C 0.7464(14) 0.6836(12) 1.1693(16) 0.108(6) Uani 0.2291(16) 1 d D U P C -1
H5A_5 H 0.763714 0.662476 1.145433 0.161 Uiso 0.2291(16) 1 calc R U P C -1
H5B_5 H 0.728672 0.657026 1.187851 0.161 Uiso 0.2291(16) 1 calc R U P C -1
H5C_5 H 0.782149 0.705846 1.215337 0.161 Uiso 0.2291(16) 1 calc R U P C -1
C6_5 C 0.6911(13) 0.7812(8) 1.1225(14) 0.078(4) Uani 0.2291(16) 1 d D U P C -1
H6A_5 H 0.675472 0.802838 1.073673 0.117 Uiso 0.2291(16) 1 calc R U P C -1
H6B_5 H 0.735545 0.794144 1.167462 0.117 Uiso 0.2291(16) 1 calc R U P C -1
H6C_5 H 0.660787 0.787116 1.135975 0.117 Uiso 0.2291(16) 1 calc R U P C -1
O3_5 O 0.6257(17) 0.5157(16) 1.054(2) 0.085(5) Uani 0.116(9) 1 d . U P D -3
H3D_5 H 0.656842 0.506710 1.102544 0.127 Uiso 0.116(9) 1 d R U P D -3
H3E_5 H 0.643641 0.535452 1.037673 0.127 Uiso 0.116(9) 1 d R U P D -3
O1B_5 O 0.6570(10) 0.6391(8) 1.0097(10) 0.074(3) Uani 0.1979(16) 1 d D U P E -3
C4B_5 C 0.7007(14) 0.6633(11) 1.0748(13) 0.083(4) Uani 0.1979(16) 1 d D U P E
-3
H4C_5 H 0.737616 0.638564 1.106150 0.099 Uiso 0.1979(16) 1 calc R U P E -3
N2B_5 N 0.7138(10) 0.7090(8) 1.1143(11) 0.065(3) Uani 0.1979(16) 1 d D U P E -3
C5B_5 C 0.6815(16) 0.7625(12) 1.1077(18) 0.085(5) Uani 0.1979(16) 1 d D U P E
-3
H5D_5 H 0.712569 0.786050 1.155124 0.128 Uiso 0.1979(16) 1 calc R U P E -3
H5E_5 H 0.667992 0.782521 1.058637 0.128 Uiso 0.1979(16) 1 calc R U P E -3
H5F_5 H 0.642402 0.754590 1.104926 0.128 Uiso 0.1979(16) 1 calc R U P E -3
C6B_5 C 0.7792(14) 0.7101(13) 1.1972(15) 0.096(6) Uani 0.1979(16) 1 d D U P E
-3
H6D_5 H 0.784819 0.746732 1.222754 0.144 Uiso 0.1979(16) 1 calc R U P E -3
H6E_5 H 0.780510 0.679702 1.230120 0.144 Uiso 0.1979(16) 1 calc R U P E -3
H6F_5 H 0.815062 0.704581 1.192830 0.144 Uiso 0.1979(16) 1 calc R U P E -3
O1C_5 O 0.6721(9) 0.3117(8) 1.0524(11) 0.093(4) Uani 0.280(13) 1 d D U P F -1
H1C_5 H 0.696507 0.283388 1.060109 0.140 Uiso 0.280(13) 1 d R U P F -1
H1D_5 H 0.667388 0.307795 1.089652 0.140 Uiso 0.280(13) 1 d R U P F -1
O2B_5 O 0.8233(18) 0.5440(18) 1.124(2) 0.089(5) Uani 0.093(6) 1 d D U P G -2
C7B_5 C 0.8870(19) 0.5381(16) 1.177(3) 0.084(6) Uani 0.093(6) 1 d D U P G -2
H7B_5 H 0.916537 0.569458 1.198476 0.100 Uiso 0.093(6) 1 calc R U P G -2
N3B_5 N 0.9075(17) 0.4862(15) 1.200(2) 0.097(7) Uani 0.093(6) 1 d D U P G -2
C8B_5 C 0.864(3) 0.4362(19) 1.169(4) 0.097(7) Uani 0.093(6) 1 d D U P G -2
H8D_5 H 0.890890 0.402020 1.194806 0.146 Uiso 0.093(6) 1 calc R U P G -2
H8E_5 H 0.832329 0.439684 1.180420 0.146 Uiso 0.093(6) 1 calc R U P G -2
H8F_5 H 0.840042 0.433536 1.110149 0.146 Uiso 0.093(6) 1 calc R U P G -2
C9B_5 C 0.978(2) 0.472(2) 1.257(4) 0.101(7) Uani 0.093(6) 1 d D U P G -2
H9D_5 H 0.982838 0.431237 1.266005 0.151 Uiso 0.093(6) 1 calc R U P G -2
H9E_5 H 1.000335 0.484314 1.234447 0.151 Uiso 0.093(6) 1 calc R U P G -2
H9F_5 H 0.997139 0.491781 1.308232 0.151 Uiso 0.093(6) 1 calc R U P G -2
O4_5 O 0.724(3) 0.634(2) 1.077(3) 0.069(4) Uani 0.0730(15) 1 d . U P H -2
H4A_5 H 0.759566 0.651468 1.108125 0.104 Uiso 0.0730(15) 1 d R U P H -2
H4B_5 H 0.693433 0.653235 1.071924 0.104 Uiso 0.0730(15) 1 d R U P H -2
Ga1_1 Ga 0.44790(4) 0.42440(4) 0.74896(5) 0.05249(19) Uani 0.5 1 d D U P A -1
O1_1 O 0.5324(2) 0.4300(2) 0.7694(3) 0.0480(10) Uani 0.5 1 d D U P A -1
O2_1 O 0.4764(3) 0.3459(2) 0.7810(4) 0.0595(13) Uani 0.5 1 d D U P A -1
O3_1 O 0.6800(3) 0.3098(3) 0.8853(4) 0.0681(16) Uani 0.5 1 d D U P A -1
O4_1 O 0.5007(4) 0.4351(4) 0.8791(4) 0.089(2) Uani 0.5 1 d D U P A -1
N1_1 N 0.5703(5) 0.3802(4) 0.8035(10) 0.048(2) Uani 0.5 1 d D U P A -1
C1_1 C 0.5368(4) 0.3395(3) 0.8068(5) 0.0593(17) Uani 0.5 1 d D U P A -1
C2_1 C 0.5706(4) 0.2839(2) 0.8403(5) 0.070(2) Uani 0.5 1 d DG U P A -1
C3_1 C 0.6375(3) 0.2729(3) 0.8801(5) 0.064(2) Uani 0.5 1 d DG U P A -1
C4_1 C 0.6633(3) 0.2200(3) 0.9141(5) 0.076(3) Uani 0.5 1 d DG U P A -1
H4_1 H 0.709018 0.212430 0.941243 0.091 Uiso 0.5 1 calc R U P A -1
C5_1 C 0.6224(4) 0.1780(3) 0.9082(7) 0.103(5) Uani 0.5 1 d DG U P A -1
H5_1 H 0.640055 0.141771 0.931471 0.124 Uiso 0.5 1 calc R U P A -1
C6_1 C 0.5555(4) 0.1890(3) 0.8685(7) 0.115(5) Uani 0.5 1 d DG U P A -1
H6_1 H 0.527552 0.160307 0.864497 0.138 Uiso 0.5 1 calc R U P A -1
C7_1 C 0.5297(3) 0.2420(4) 0.8345(6) 0.095(4) Uani 0.5 1 d DG U P A -1
H7_1 H 0.484009 0.249501 0.807293 0.114 Uiso 0.5 1 calc R U P A -1
O5_1 O 0.3956(3) 0.4052(3) 0.6311(3) 0.0540(11) Uani 0.5 1 d D U P A -1
O6_1 O 0.4403(3) 0.4678(2) 0.5961(3) 0.0498(11) Uani 0.5 1 d D U P A -1
O7_1 O 0.2952(3) 0.4045(2) 0.2310(3) 0.0551(12) Uani 0.5 1 d D U P A -1
O8_1 O 0.3705(2) 0.4687(2) 0.3204(3) 0.0473(10) Uani 0.5 1 d D U P A -1
O9_1 O 0.1835(6) 0.3419(5) 0.4101(6) 0.157(4) Uani 0.5 1 d D U P A -1
O10_1 O 0.2664(6) 0.2112(5) 0.3339(6) 0.145(4) Uani 0.5 1 d D U P A -1
N2_1 N 0.2386(4) 0.2904(3) 0.3796(3) 0.079(2) Uani 0.5 1 d D U P A -1
C8_1 C 0.4034(4) 0.4279(3) 0.5824(4) 0.0494(14) Uani 0.5 1 d D U P A -1
C9_1 C 0.3632(4) 0.4012(4) 0.4988(4) 0.0564(17) Uani 0.5 1 d D U P A -1
C10_1 C 0.3678(5) 0.4245(4) 0.4420(4) 0.0643(19) Uani 0.5 1 d D U P A -1
H10_1 H 0.397199 0.455001 0.455490 0.077 Uiso 0.5 1 calc R U P A -1
C11_1 C 0.3281(4) 0.4018(4) 0.3640(4) 0.0555(16) Uani 0.5 1 d D U P A -1
C12_1 C 0.2867(6) 0.3576(5) 0.3444(5) 0.070(2) Uani 0.5 1 d D U P A -1
H12_1 H 0.258793 0.343897 0.290395 0.084 Uiso 0.5 1 calc R U P A -1
C13_1 C 0.2854(6) 0.3330(5) 0.4026(6) 0.077(2) Uani 0.5 1 d D U P A -1
C14_1 C 0.3200(5) 0.3578(5) 0.4793(5) 0.069(2) Uani 0.5 1 d D U P A -1
H14_1 H 0.313633 0.344767 0.517181 0.083 Uiso 0.5 1 calc R U P A -1
C15_1 C 0.3318(4) 0.4275(3) 0.2997(4) 0.0491(14) Uani 0.5 1 d D U P A -1
C16_1 C 0.1900(5) 0.2984(5) 0.3852(5) 0.116(4) Uani 0.5 1 d D U P A -1
C17_1 C 0.1505(6) 0.2448(6) 0.3557(6) 0.108(3) Uani 0.5 1 d D U P A -1
H17_1 H 0.112287 0.238883 0.352978 0.130 Uiso 0.5 1 calc R U P A -1
C18_1 C 0.1746(6) 0.2070(6) 0.3339(6) 0.109(4) Uani 0.5 1 d D U P A -1
H18_1 H 0.158402 0.169992 0.313485 0.131 Uiso 0.5 1 calc R U P A -1
C19_1 C 0.2320(5) 0.2351(4) 0.3484(5) 0.097(3) Uani 0.5 1 d D U P A -1
Ga1_2 Ga 0.66571(4) 0.38437(3) 0.84984(5) 0.04692(18) Uani 0.5 1 d D U P A -1
O1_2 O 0.6534(2) 0.4642(2) 0.8227(3) 0.0489(10) Uani 0.5 1 d D U P A -1
O2_2 O 0.7589(2) 0.4055(2) 0.9056(3) 0.0542(12) Uani 0.5 1 d D U P A -1
O3_2 O 0.8019(3) 0.5826(3) 0.9321(4) 0.0684(16) Uani 0.5 1 d D U P A -1
O4_2 O 0.6838(4) 0.4084(4) 0.9611(4) 0.0789(17) Uani 0.5 1 d D U P A -1
H4A_2 H 0.659386 0.387808 0.970751 0.118 Uiso 0.5 1 d R U P A -1
H4B_2 H 0.704152 0.431600 1.000854 0.118 Uiso 0.5 1 d R U P A -1
N1_2 N 0.7131(2) 0.4940(5) 0.8625(3) 0.0490(15) Uani 0.5 1 d D U P A -1
C1_2 C 0.7655(3) 0.4590(3) 0.9048(4) 0.0511(14) Uani 0.5 1 d D U P A -1
C2_2 C 0.8319(2) 0.48319(19) 0.9508(4) 0.0573(18) Uani 0.5 1 d DG U P A -1
C3_2 C 0.8470(2) 0.54063(18) 0.9628(4) 0.0592(18) Uani 0.5 1 d DG U P A -1
C4_2 C 0.9127(3) 0.55819(19) 1.0106(4) 0.069(2) Uani 0.5 1 d DG U P A -1
H4_2 H 0.922974 0.597449 1.018749 0.083 Uiso 0.5 1 calc R U P A -1
C5_2 C 0.9633(2) 0.5183(3) 1.0465(4) 0.086(3) Uani 0.5 1 d DG U P A -1
H5_2 H 1.008171 0.530326 1.079150 0.103 Uiso 0.5 1 calc R U P A -1
C6_2 C 0.9482(3) 0.4609(2) 1.0345(5) 0.089(3) Uani 0.5 1 d DG U P A -1
H6_2 H 0.982781 0.433635 1.059044 0.106 Uiso 0.5 1 calc R U P A -1
C7_2 C 0.8825(3) 0.44332(18) 0.9867(5) 0.075(3) Uani 0.5 1 d DG U P A -1
H7_2 H 0.872192 0.404067 0.978538 0.090 Uiso 0.5 1 calc R U P A -1
O5_2 O 0.6574(3) 0.3617(2) 0.7507(3) 0.0502(10) Uani 0.5 1 d D U P A -1
O6_2 O 0.5707(2) 0.4146(2) 0.6560(3) 0.0457(10) Uani 0.5 1 d D U P A -1
O7_2 O 0.5553(3) 0.3634(3) 0.3491(3) 0.0614(14) Uani 0.5 1 d D U P A -1
O8_2 O 0.5013(3) 0.4161(2) 0.3804(3) 0.0484(10) Uani 0.5 1 d D U P A -1
O9_2 O 0.6665(6) 0.2042(6) 0.5211(7) 0.184(5) Uani 0.5 1 d D U P A -1
O10_2 O 0.8425(7) 0.3136(6) 0.7169(8) 0.172(5) Uani 0.5 1 d D U P A -1
N2_2 N 0.7393(5) 0.2699(4) 0.6109(5) 0.101(3) Uani 0.5 1 d D U P A -1
C8_2 C 0.6174(4) 0.3823(3) 0.6798(4) 0.0474(13) Uani 0.5 1 d D U P A -1
C9_2 C 0.6287(5) 0.3636(4) 0.6193(4) 0.0598(18) Uani 0.5 1 d D U P A -1
C10_2 C 0.5869(5) 0.3841(4) 0.5408(4) 0.066(2) Uani 0.5 1 d D U P A -1
H10_2 H 0.553066 0.410701 0.525351 0.080 Uiso 0.5 1 calc R U P A -1
C11_2 C 0.5959(5) 0.3644(4) 0.4856(4) 0.0641(19) Uani 0.5 1 d D U P A -1
C12_2 C 0.6437(6) 0.3264(5) 0.5069(5) 0.077(2) Uani 0.5 1 d D U P A -1
H12_2 H 0.645843 0.310629 0.466678 0.093 Uiso 0.5 1 calc R U P A -1
C13_2 C 0.6890(6) 0.3105(6) 0.5858(7) 0.088(3) Uani 0.5 1 d D U P A -1
C14_2 C 0.6802(6) 0.3275(5) 0.6434(5) 0.073(2) Uani 0.5 1 d D U P A -1
H14_2 H 0.709156 0.314296 0.697594 0.088 Uiso 0.5 1 calc R U P A -1
C15_2 C 0.5462(4) 0.3837(3) 0.3976(4) 0.0523(15) Uani 0.5 1 d D U P A -1
C16_2 C 0.7226(6) 0.2194(6) 0.5751(6) 0.147(5) Uani 0.5 1 d D U P A -1
C17_2 C 0.7881(7) 0.1886(7) 0.6173(8) 0.136(5) Uani 0.5 1 d D U P A -1
H17_2 H 0.792203 0.150998 0.604742 0.163 Uiso 0.5 1 calc R U P A -1
C18_2 C 0.8382(8) 0.2197(7) 0.6729(9) 0.136(6) Uani 0.5 1 d D U P A -1
H18_2 H 0.883743 0.209589 0.706971 0.163 Uiso 0.5 1 calc R U P A -1
C19_2 C 0.8088(6) 0.2736(6) 0.6711(6) 0.145(5) Uani 0.5 1 d D U P A -1
Ga1_3 Ga 0.70985(4) 0.57760(3) 0.86704(5) 0.04947(19) Uani 0.5 1 d D U P A -1
O1_3 O 0.6141(2) 0.5726(2) 0.8026(3) 0.0521(11) Uani 0.5 1 d D U P A -1
O2_3 O 0.6908(3) 0.6563(2) 0.8748(4) 0.0617(14) Uani 0.5 1 d D U P A -1
O3_3 O 0.4924(3) 0.6942(3) 0.7898(4) 0.0771(19) Uani 0.5 1 d D U P A -1
O4_3 O 0.7160(4) 0.5652(3) 0.9733(4) 0.0750(16) Uani 0.5 1 d D U P A -1
H4A_3 H 0.720898 0.537597 1.002388 0.113 Uiso 0.5 1 d R U P A -1
H4B_3 H 0.705367 0.593817 0.987341 0.113 Uiso 0.5 1 d R U P A -1
N1_3 N 0.5844(5) 0.6230(4) 0.8017(9) 0.053(3) Uani 0.5 1 d D U P A -1
C1_3 C 0.6303(4) 0.6629(3) 0.8439(5) 0.0614(17) Uani 0.5 1 d D U P A -1
C2_3 C 0.6096(4) 0.7185(2) 0.8542(5) 0.065(2) Uani 0.5 1 d DG U P A -1
C3_3 C 0.5455(3) 0.7316(3) 0.8258(5) 0.069(2) Uani 0.5 1 d DG U P A -1
C4_3 C 0.5312(3) 0.7853(4) 0.8389(5) 0.082(3) Uani 0.5 1 d DG U P A -1
H4_3 H 0.487418 0.794241 0.819509 0.099 Uiso 0.5 1 calc R U P A -1
C5_3 C 0.5810(5) 0.8257(3) 0.8806(7) 0.103(4) Uani 0.5 1 d DG U P A -1
H5_3 H 0.571237 0.862342 0.889560 0.123 Uiso 0.5 1 calc R U P A -1
C6_3 C 0.6451(4) 0.8126(3) 0.9090(6) 0.097(4) Uani 0.5 1 d DG U P A -1
H6_3 H 0.679094 0.840201 0.937424 0.117 Uiso 0.5 1 calc R U P A -1
C7_3 C 0.6593(3) 0.7589(4) 0.8958(5) 0.086(3) Uani 0.5 1 d DG U P A -1
H7_3 H 0.703134 0.749958 0.915236 0.103 Uiso 0.5 1 calc R U P A -1
Ga1_4 Ga 0.49294(5) 0.61770(4) 0.76772(5) 0.0533(2) Uani 0.5 1 d D U P A -1
O1_4 O 0.4933(3) 0.5373(2) 0.7500(3) 0.0496(10) Uani 0.5 1 d D U P A -1
O2_4 O 0.4095(3) 0.5972(3) 0.7478(4) 0.0633(14) Uani 0.5 1 d D U P A -1
O3_4 O 0.3735(3) 0.4196(3) 0.7457(4) 0.0676(14) Uani 0.5 1 d D U P A -1
O4_4 O 0.5354(4) 0.5996(4) 0.8915(4) 0.0793(17) Uani 0.5 1 d D U P A -1
H4A_4 H 0.577101 0.594971 0.926196 0.119 Uiso 0.5 1 d R U P A -1
H4B_4 H 0.519767 0.601441 0.917145 0.119 Uiso 0.5 1 d R U P A -1
N1_4 N 0.4426(3) 0.5084(4) 0.7434(3) 0.0546(16) Uani 0.5 1 d D U P A -1
C1_4 C 0.4014(4) 0.5437(4) 0.7427(5) 0.0581(16) Uani 0.5 1 d D U P A -1
C2_4 C 0.3472(3) 0.5195(3) 0.7399(5) 0.065(2) Uani 0.5 1 d DG U P A -1
C3_4 C 0.3349(3) 0.4621(3) 0.7395(5) 0.067(2) Uani 0.5 1 d DG U P A -1
C4_4 C 0.2795(4) 0.4446(2) 0.7324(7) 0.095(4) Uani 0.5 1 d DG U P A -1
H4_4 H 0.271133 0.405328 0.732153 0.113 Uiso 0.5 1 calc R U P A -1
C5_4 C 0.2363(3) 0.4845(3) 0.7258(6) 0.088(3) Uani 0.5 1 d DG U P A -1
H5_4 H 0.198463 0.472549 0.720983 0.105 Uiso 0.5 1 calc R U P A -1
C6_4 C 0.2486(3) 0.5419(3) 0.7262(6) 0.094(3) Uani 0.5 1 d DG U P A -1
H6_4 H 0.219083 0.569211 0.721708 0.113 Uiso 0.5 1 calc R U P A -1
C7_4 C 0.3040(4) 0.5594(2) 0.7333(7) 0.092(3) Uani 0.5 1 d DG U P A -1
H7_4 H 0.312374 0.598653 0.733604 0.111 Uiso 0.5 1 calc R U P A -1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Nd1 O1_2 2.402(5) . ?
Nd1 O1_3 2.403(5) . ?
Nd1 O6_2 2.407(5) . ?
Nd1 O1_1 2.407(5) . ?
Nd1 O1_4 2.412(5) . ?
Nd1 O6_1 2.430(5) . ?
N1_5 C1_5 1.294(16) . ?
N1_5 C3_5 1.457(19) . ?
N1_5 C2_5 1.474(19) . ?
C1_5 O4_1 1.284(15) . ?
C1_5 H1_5 0.9500 . ?
C2_5 H2A_5 0.9800 . ?
C2_5 H2B_5 0.9800 . ?
C2_5 H2C_5 0.9800 . ?
C3_5 H3A_5 0.9800 . ?
C3_5 H3B_5 0.9800 . ?
C3_5 H3C_5 0.9800 . ?
O2_5 C7_5 1.300(16) . ?
C7_5 N3_5 1.289(17) . ?
C7_5 H7_5 0.9500 . ?
N3_5 C9_5 1.455(19) . ?
N3_5 C8_5 1.48(2) . ?
C8_5 H8A_5 0.9800 . ?
C8_5 H8B_5 0.9800 . ?
C8_5 H8C_5 0.9800 . ?
C9_5 H9A_5 0.9800 . ?
C9_5 H9B_5 0.9800 . ?
C9_5 H9C_5 0.9800 . ?
O1_5 C4_5 1.299(19) . ?
C4_5 N2_5 1.315(19) . ?
C4_5 H4_5 0.9500 . ?
N2_5 C6_5 1.439(19) . ?
N2_5 C5_5 1.48(2) . ?
C5_5 H5A_5 0.9800 . ?
C5_5 H5B_5 0.9800 . ?
C5_5 H5C_5 0.9800 . ?
C6_5 H6A_5 0.9800 . ?
C6_5 H6B_5 0.9800 . ?
C6_5 H6C_5 0.9800 . ?
O3_5 H3D_5 0.8500 . ?
O3_5 H3E_5 0.8556 . ?
O1B_5 C4B_5 1.253(18) . ?
C4B_5 N2B_5 1.271(18) . ?
C4B_5 H4C_5 0.9500 . ?
N2B_5 C5B_5 1.47(2) . ?
N2B_5 C6B_5 1.50(2) . ?
C5B_5 H5D_5 0.9800 . ?
C5B_5 H5E_5 0.9800 . ?
C5B_5 H5F_5 0.9800 . ?
C6B_5 H6D_5 0.9800 . ?
C6B_5 H6E_5 0.9800 . ?
C6B_5 H6F_5 0.9800 . ?
O1C_5 H1C_5 0.8601 . ?
O1C_5 H1D_5 0.8595 . ?
O2B_5 C7B_5 1.30(2) . ?
C7B_5 N3B_5 1.30(2) . ?
C7B_5 H7B_5 0.9500 . ?
N3B_5 C9B_5 1.46(2) . ?
N3B_5 C8B_5 1.47(2) . ?
C8B_5 H8D_5 0.9800 . ?
C8B_5 H8E_5 0.9800 . ?
C8B_5 H8F_5 0.9800 . ?
C9B_5 H9D_5 0.9800 . ?
C9B_5 H9E_5 0.9800 . ?
C9B_5 H9F_5 0.9800 . ?
O4_5 H4A_5 0.8459 . ?
O4_5 H4B_5 0.8495 . ?
Ga1_1 O3_4 1.859(6) . ?
Ga1_1 O1_1 1.927(5) . ?
Ga1_1 O2_1 1.954(6) . ?
Ga1_1 N1_4 1.986(10) . ?
Ga1_1 O5_1 2.007(5) . ?
Ga1_1 O4_1 2.189(7) . ?
O1_1 N1_1 1.408(9) . ?
O2_1 C1_1 1.292(9) . ?
O3_1 C3_1 1.342(7) . ?
O3_1 Ga1_2 1.858(6) . ?
N1_1 C1_1 1.314(11) . ?
N1_1 Ga1_2 1.997(10) . ?
C1_1 C2_1 1.488(8) . ?
C2_1 C3_1 1.3900 . ?
C2_1 C7_1 1.3900 . ?
C3_1 C4_1 1.3900 . ?
C4_1 C5_1 1.3900 . ?
C4_1 H4_1 0.9500 . ?
C5_1 C6_1 1.3900 . ?
C5_1 H5_1 0.9500 . ?
C6_1 C7_1 1.3900 . ?
C6_1 H6_1 0.9500 . ?
C7_1 H7_1 0.9500 . ?
O5_1 C8_1 1.268(8) . ?
O6_1 C8_1 1.235(8) . ?
O7_1 C15_1 1.261(8) . ?
O8_1 C15_1 1.258(8) . ?
O9_1 C16_1 1.207(12) . ?
O10_1 C19_1 1.224(12) . ?
N2_1 C16_1 1.328(12) . ?
N2_1 C13_1 1.402(9) . ?
N2_1 C19_1 1.422(11) . ?
C8_1 C9_1 1.519(9) . ?
C9_1 C14_1 1.371(9) . ?
C9_1 C10_1 1.375(10) . ?
C10_1 C11_1 1.396(9) . ?
C10_1 H10_1 0.9500 . ?
C11_1 C12_1 1.358(10) . ?
C11_1 C15_1 1.526(9) . ?
C12_1 C13_1 1.365(12) . ?
C12_1 H12_1 0.9500 . ?
C13_1 C14_1 1.400(12) . ?
C14_1 H14_1 0.9500 . ?
C16_1 C17_1 1.495(12) . ?
C17_1 C18_1 1.311(14) . ?
C17_1 H17_1 0.9500 . ?
C18_1 C19_1 1.461(12) . ?
C18_1 H18_1 0.9500 . ?
Ga1_2 O1_2 1.939(5) . ?
Ga1_2 O2_2 1.967(5) . ?
Ga1_2 O5_2 2.020(5) . ?
Ga1_2 O4_2 2.149(7) . ?
O1_2 N1_2 1.399(8) . ?
O2_2 C1_2 1.276(8) . ?
O3_2 C3_2 1.347(7) . ?
O3_2 Ga1_3 1.864(6) . ?
O4_2 H4A_2 0.9025 . ?
O4_2 H4B_2 0.8562 . ?
N1_2 C1_2 1.345(10) . ?
N1_2 Ga1_3 1.979(12) . ?
C1_2 C2_2 1.460(8) . ?
C2_2 C3_2 1.3900 . ?
C2_2 C7_2 1.3900 . ?
C3_2 C4_2 1.3900 . ?
C4_2 C5_2 1.3900 . ?
C4_2 H4_2 0.9500 . ?
C5_2 C6_2 1.3900 . ?
C5_2 H5_2 0.9500 . ?
C6_2 C7_2 1.3900 . ?
C6_2 H6_2 0.9500 . ?
C7_2 H7_2 0.9500 . ?
O5_2 C8_2 1.274(8) . ?
O6_2 C8_2 1.234(8) . ?
O7_2 C15_2 1.260(8) . ?
O8_2 C15_2 1.235(8) . ?
O9_2 C16_2 1.215(12) . ?
O10_2 C19_2 1.242(12) . ?
N2_2 C16_2 1.333(12) . ?
N2_2 C19_2 1.416(11) . ?
N2_2 C13_2 1.420(10) . ?
C8_2 C9_2 1.522(9) . ?
C9_2 C14_2 1.379(10) . ?
C9_2 C10_2 1.386(9) . ?
C10_2 C11_2 1.386(10) . ?
C10_2 H10_2 0.9500 . ?
C11_2 C12_2 1.351(9) . ?
C11_2 C15_2 1.532(9) . ?
C12_2 C13_2 1.365(13) . ?
C12_2 H12_2 0.9500 . ?
C13_2 C14_2 1.408(13) . ?
C14_2 H14_2 0.9500 . ?
C16_2 C17_2 1.513(12) . ?
C17_2 C18_2 1.308(14) . ?
C17_2 H17_2 0.9500 . ?
C18_2 C19_2 1.466(12) . ?
C18_2 H18_2 0.9500 . ?
Ga1_3 O1_3 1.943(5) . ?
Ga1_3 O2_3 1.953(6) . ?
Ga1_3 O4_3 2.146(7) . ?
O1_3 N1_3 1.404(9) . ?
O2_3 C1_3 1.267(9) . ?
O3_3 C3_3 1.392(8) . ?
O3_3 Ga1_4 1.867(6) . ?
O4_3 H4A_3 0.8460 . ?
O4_3 H4B_3 0.8429 . ?
N1_3 C1_3 1.331(11) . ?
N1_3 Ga1_4 1.983(11) . ?
C1_3 C2_3 1.479(8) . ?
C2_3 C3_3 1.3900 . ?
C2_3 C7_3 1.3900 . ?
C3_3 C4_3 1.3900 . ?
C4_3 C5_3 1.3900 . ?
C4_3 H4_3 0.9500 . ?
C5_3 C6_3 1.3900 . ?
C5_3 H5_3 0.9500 . ?
C6_3 C7_3 1.3900 . ?
C6_3 H6_3 0.9500 . ?
C7_3 H7_3 0.9500 . ?
Ga1_4 O1_4 1.935(5) . ?
Ga1_4 O2_4 1.963(7) . ?
Ga1_4 O4_4 2.148(7) . ?
O1_4 N1_4 1.392(8) . ?
O2_4 C1_4 1.273(10) . ?
O3_4 C3_4 1.354(8) . ?
O4_4 H4A_4 0.8517 . ?
O4_4 H4B_4 0.8425 . ?
N1_4 C1_4 1.336(9) . ?
C1_4 C2_4 1.463(8) . ?
C2_4 C3_4 1.3900 . ?
C2_4 C7_4 1.3900 . ?
C3_4 C4_4 1.3900 . ?
C4_4 C5_4 1.3900 . ?
C4_4 H4_4 0.9500 . ?
C5_4 C6_4 1.3900 . ?
C5_4 H5_4 0.9500 . ?
C6_4 C7_4 1.3900 . ?
C6_4 H6_4 0.9500 . ?
C7_4 H7_4 0.9500 . ?

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
O1_2 Nd1 O1_3 67.97(17) . . ?
O1_2 Nd1 O6_2 77.06(17) . . ?
O1_3 Nd1 O6_2 139.63(17) . . ?
O1_2 Nd1 O1_1 67.92(17) . . ?
O1_3 Nd1 O1_1 104.13(19) . . ?
O6_2 Nd1 O1_1 79.66(17) . . ?
O1_2 Nd1 O1_4 103.90(19) . . ?
O1_3 Nd1 O1_4 67.98(18) . . ?
O6_2 Nd1 O1_4 142.76(17) . . ?
O1_1 Nd1 O1_4 67.07(18) . . ?
O1_2 Nd1 O6_1 139.28(18) . . ?
O1_3 Nd1 O6_1 143.14(18) . . ?
O6_2 Nd1 O6_1 77.20(18) . . ?
O1_1 Nd1 O6_1 76.80(17) . . ?
O1_4 Nd1 O6_1 79.28(18) . . ?
C1_5 N1_5 C3_5 121.7(12) . . ?
C1_5 N1_5 C2_5 122.6(13) . . ?
C3_5 N1_5 C2_5 115.0(12) . . ?
O4_1 C1_5 N1_5 122.1(13) . . ?
O4_1 C1_5 H1_5 118.9 . . ?
N1_5 C1_5 H1_5 118.9 . . ?
N1_5 C2_5 H2A_5 109.5 . . ?
N1_5 C2_5 H2B_5 109.5 . . ?
H2A_5 C2_5 H2B_5 109.5 . . ?
N1_5 C2_5 H2C_5 109.5 . . ?
H2A_5 C2_5 H2C_5 109.5 . . ?
H2B_5 C2_5 H2C_5 109.5 . . ?
N1_5 C3_5 H3A_5 109.5 . . ?
N1_5 C3_5 H3B_5 109.5 . . ?
H3A_5 C3_5 H3B_5 109.5 . . ?
N1_5 C3_5 H3C_5 109.5 . . ?
H3A_5 C3_5 H3C_5 109.5 . . ?
H3B_5 C3_5 H3C_5 109.5 . . ?
N3_5 C7_5 O2_5 123.1(17) . . ?
N3_5 C7_5 H7_5 118.5 . . ?
O2_5 C7_5 H7_5 118.5 . . ?
C7_5 N3_5 C9_5 122.5(18) . . ?
C7_5 N3_5 C8_5 125.2(16) . . ?
C9_5 N3_5 C8_5 112.3(15) . . ?
N3_5 C8_5 H8A_5 109.5 . . ?
N3_5 C8_5 H8B_5 109.5 . . ?
H8A_5 C8_5 H8B_5 109.5 . . ?
N3_5 C8_5 H8C_5 109.5 . . ?
H8A_5 C8_5 H8C_5 109.5 . . ?
H8B_5 C8_5 H8C_5 109.5 . . ?
N3_5 C9_5 H9A_5 109.5 . . ?
N3_5 C9_5 H9B_5 109.5 . . ?
H9A_5 C9_5 H9B_5 109.5 . . ?
N3_5 C9_5 H9C_5 109.5 . . ?
H9A_5 C9_5 H9C_5 109.5 . . ?
H9B_5 C9_5 H9C_5 109.5 . . ?
O1_5 C4_5 N2_5 108.0(18) . . ?
O1_5 C4_5 H4_5 126.0 . . ?
N2_5 C4_5 H4_5 126.0 . . ?
C4_5 N2_5 C6_5 119.6(17) . . ?
C4_5 N2_5 C5_5 117.1(17) . . ?
C6_5 N2_5 C5_5 123.3(17) . . ?
N2_5 C5_5 H5A_5 109.5 . . ?
N2_5 C5_5 H5B_5 109.5 . . ?
H5A_5 C5_5 H5B_5 109.5 . . ?
N2_5 C5_5 H5C_5 109.5 . . ?
H5A_5 C5_5 H5C_5 109.5 . . ?
H5B_5 C5_5 H5C_5 109.5 . . ?
N2_5 C6_5 H6A_5 109.5 . . ?
N2_5 C6_5 H6B_5 109.5 . . ?
H6A_5 C6_5 H6B_5 109.5 . . ?
N2_5 C6_5 H6C_5 109.5 . . ?
H6A_5 C6_5 H6C_5 109.5 . . ?
H6B_5 C6_5 H6C_5 109.5 . . ?
H3D_5 O3_5 H3E_5 105.8 . . ?
O1B_5 C4B_5 N2B_5 143(3) . . ?
O1B_5 C4B_5 H4C_5 108.5 . . ?
N2B_5 C4B_5 H4C_5 108.5 . . ?
C4B_5 N2B_5 C5B_5 139(2) . . ?
C4B_5 N2B_5 C6B_5 115.4(19) . . ?
C5B_5 N2B_5 C6B_5 104.9(16) . . ?
N2B_5 C5B_5 H5D_5 109.5 . . ?
N2B_5 C5B_5 H5E_5 109.5 . . ?
H5D_5 C5B_5 H5E_5 109.5 . . ?
N2B_5 C5B_5 H5F_5 109.5 . . ?
H5D_5 C5B_5 H5F_5 109.5 . . ?
H5E_5 C5B_5 H5F_5 109.5 . . ?
N2B_5 C6B_5 H6D_5 109.5 . . ?
N2B_5 C6B_5 H6E_5 109.5 . . ?
H6D_5 C6B_5 H6E_5 109.5 . . ?
N2B_5 C6B_5 H6F_5 109.5 . . ?
H6D_5 C6B_5 H6F_5 109.5 . . ?
H6E_5 C6B_5 H6F_5 109.5 . . ?
H1C_5 O1C_5 H1D_5 103.4 . . ?
O2B_5 C7B_5 N3B_5 115(3) . . ?
O2B_5 C7B_5 H7B_5 122.4 . . ?
N3B_5 C7B_5 H7B_5 122.4 . . ?
C7B_5 N3B_5 C9B_5 122(2) . . ?
C7B_5 N3B_5 C8B_5 125(2) . . ?
C9B_5 N3B_5 C8B_5 113(2) . . ?
N3B_5 C8B_5 H8D_5 109.5 . . ?
N3B_5 C8B_5 H8E_5 109.5 . . ?
H8D_5 C8B_5 H8E_5 109.5 . . ?
N3B_5 C8B_5 H8F_5 109.5 . . ?
H8D_5 C8B_5 H8F_5 109.5 . . ?
H8E_5 C8B_5 H8F_5 109.5 . . ?
N3B_5 C9B_5 H9D_5 109.5 . . ?
N3B_5 C9B_5 H9E_5 109.5 . . ?
H9D_5 C9B_5 H9E_5 109.5 . . ?
N3B_5 C9B_5 H9F_5 109.5 . . ?
H9D_5 C9B_5 H9F_5 109.5 . . ?
H9E_5 C9B_5 H9F_5 109.5 . . ?
H4A_5 O4_5 H4B_5 107.1 . . ?
O3_4 Ga1_1 O1_1 171.6(3) . . ?
O3_4 Ga1_1 O2_1 96.5(3) . . ?
O1_1 Ga1_1 O2_1 81.8(2) . . ?
O3_4 Ga1_1 N1_4 91.6(3) . . ?
O1_1 Ga1_1 N1_4 88.4(2) . . ?
O2_1 Ga1_1 N1_4 164.8(2) . . ?
O3_4 Ga1_1 O5_1 92.3(3) . . ?
O1_1 Ga1_1 O5_1 95.9(2) . . ?
O2_1 Ga1_1 O5_1 92.0(3) . . ?
N1_4 Ga1_1 O5_1 100.6(2) . . ?
O3_4 Ga1_1 O4_1 83.9(3) . . ?
O1_1 Ga1_1 O4_1 87.7(3) . . ?
O2_1 Ga1_1 O4_1 82.3(3) . . ?
N1_4 Ga1_1 O4_1 85.7(3) . . ?
O5_1 Ga1_1 O4_1 172.8(3) . . ?
N1_1 O1_1 Ga1_1 112.6(5) . . ?
N1_1 O1_1 Nd1 123.0(6) . . ?
Ga1_1 O1_1 Nd1 121.3(2) . . ?
C1_1 O2_1 Ga1_1 110.7(4) . . ?
C3_1 O3_1 Ga1_2 129.1(5) . . ?
C1_5 O4_1 Ga1_1 124.6(8) . . ?
C1_1 N1_1 O1_1 111.8(8) . . ?
C1_1 N1_1 Ga1_2 130.4(7) . . ?
O1_1 N1_1 Ga1_2 117.4(6) . . ?
O2_1 C1_1 N1_1 122.5(7) . . ?
O2_1 C1_1 C2_1 120.0(6) . . ?
N1_1 C1_1 C2_1 117.4(8) . . ?
C3_1 C2_1 C7_1 120.0 . . ?
C3_1 C2_1 C1_1 126.3(6) . . ?
C7_1 C2_1 C1_1 113.5(6) . . ?
O3_1 C3_1 C2_1 124.2(6) . . ?
O3_1 C3_1 C4_1 115.7(6) . . ?
C2_1 C3_1 C4_1 120.0 . . ?
C5_1 C4_1 C3_1 120.0 . . ?
C5_1 C4_1 H4_1 120.0 . . ?
C3_1 C4_1 H4_1 120.0 . . ?
C4_1 C5_1 C6_1 120.0 . . ?
C4_1 C5_1 H5_1 120.0 . . ?
C6_1 C5_1 H5_1 120.0 . . ?
C5_1 C6_1 C7_1 120.0 . . ?
C5_1 C6_1 H6_1 120.0 . . ?
C7_1 C6_1 H6_1 120.0 . . ?
C6_1 C7_1 C2_1 120.0 . . ?
C6_1 C7_1 H7_1 120.0 . . ?
C2_1 C7_1 H7_1 120.0 . . ?
C8_1 O5_1 Ga1_1 125.2(5) . . ?
C8_1 O6_1 Nd1 138.9(5) . . ?
C16_1 N2_1 C13_1 120.8(10) . . ?
C16_1 N2_1 C19_1 108.4(8) . . ?
C13_1 N2_1 C19_1 130.8(10) . . ?
O6_1 C8_1 O5_1 127.3(6) . . ?
O6_1 C8_1 C9_1 117.9(6) . . ?
O5_1 C8_1 C9_1 114.8(6) . . ?
C14_1 C9_1 C10_1 121.2(6) . . ?
C14_1 C9_1 C8_1 120.5(6) . . ?
C10_1 C9_1 C8_1 118.1(6) . . ?
C9_1 C10_1 C11_1 118.0(7) . . ?
C9_1 C10_1 H10_1 121.0 . . ?
C11_1 C10_1 H10_1 121.0 . . ?
C12_1 C11_1 C10_1 121.5(7) . . ?
C12_1 C11_1 C15_1 119.6(6) . . ?
C10_1 C11_1 C15_1 118.9(6) . . ?
C11_1 C12_1 C13_1 119.7(8) . . ?
C11_1 C12_1 H12_1 120.1 . . ?
C13_1 C12_1 H12_1 120.1 . . ?
C12_1 C13_1 C14_1 119.9(7) . . ?
C12_1 C13_1 N2_1 118.6(7) . . ?
C14_1 C13_1 N2_1 120.2(8) . . ?
C9_1 C14_1 C13_1 118.9(7) . . ?
C9_1 C14_1 H14_1 120.5 . . ?
C13_1 C14_1 H14_1 120.5 . . ?
O8_1 C15_1 O7_1 127.1(7) . . ?
O8_1 C15_1 C11_1 117.5(6) . . ?
O7_1 C15_1 C11_1 115.4(6) . . ?
O9_1 C16_1 N2_1 122.6(13) . . ?
O9_1 C16_1 C17_1 131.6(14) . . ?
N2_1 C16_1 C17_1 105.9(10) . . ?
C18_1 C17_1 C16_1 112.2(11) . . ?
C18_1 C17_1 H17_1 123.9 . . ?
C16_1 C17_1 H17_1 123.9 . . ?
C17_1 C18_1 C19_1 104.0(11) . . ?
C17_1 C18_1 H18_1 128.0 . . ?
C19_1 C18_1 H18_1 128.0 . . ?
O10_1 C19_1 N2_1 129.3(11) . . ?
O10_1 C19_1 C18_1 121.2(12) . . ?
N2_1 C19_1 C18_1 109.6(10) . . ?
O3_1 Ga1_2 O1_2 174.7(3) . . ?
O3_1 Ga1_2 O2_2 97.6(2) . . ?
O1_2 Ga1_2 O2_2 81.3(2) . . ?
O3_1 Ga1_2 N1_1 91.8(3) . . ?
O1_2 Ga1_2 N1_1 88.5(3) . . ?
O2_2 Ga1_2 N1_1 166.6(4) . . ?
O3_1 Ga1_2 O5_2 91.7(3) . . ?
O1_2 Ga1_2 O5_2 93.5(2) . . ?
O2_2 Ga1_2 O5_2 90.4(2) . . ?
N1_1 Ga1_2 O5_2 98.9(5) . . ?
O3_1 Ga1_2 O4_2 87.6(3) . . ?
O1_2 Ga1_2 O4_2 87.1(3) . . ?
O2_2 Ga1_2 O4_2 84.7(3) . . ?
N1_1 Ga1_2 O4_2 86.1(5) . . ?
O5_2 Ga1_2 O4_2 175.0(3) . . ?
N1_2 O1_2 Ga1_2 113.1(5) . . ?
N1_2 O1_2 Nd1 122.0(5) . . ?
Ga1_2 O1_2 Nd1 121.8(2) . . ?
C1_2 O2_2 Ga1_2 111.3(4) . . ?
C3_2 O3_2 Ga1_3 129.0(4) . . ?
Ga1_2 O4_2 H4A_2 112.1 . . ?
Ga1_2 O4_2 H4B_2 145.0 . . ?
H4A_2 O4_2 H4B_2 102.8 . . ?
C1_2 N1_2 O1_2 111.4(9) . . ?
C1_2 N1_2 Ga1_3 129.5(6) . . ?
O1_2 N1_2 Ga1_3 117.9(5) . . ?
O2_2 C1_2 N1_2 122.2(7) . . ?
O2_2 C1_2 C2_2 119.2(6) . . ?
N1_2 C1_2 C2_2 118.6(7) . . ?
C3_2 C2_2 C7_2 120.0 . . ?
C3_2 C2_2 C1_2 125.6(4) . . ?
C7_2 C2_2 C1_2 114.3(4) . . ?
O3_2 C3_2 C2_2 124.8(4) . . ?
O3_2 C3_2 C4_2 115.2(4) . . ?
C2_2 C3_2 C4_2 120.0 . . ?
C5_2 C4_2 C3_2 120.0 . . ?
C5_2 C4_2 H4_2 120.0 . . ?
C3_2 C4_2 H4_2 120.0 . . ?
C4_2 C5_2 C6_2 120.0 . . ?
C4_2 C5_2 H5_2 120.0 . . ?
C6_2 C5_2 H5_2 120.0 . . ?
C5_2 C6_2 C7_2 120.0 . . ?
C5_2 C6_2 H6_2 120.0 . . ?
C7_2 C6_2 H6_2 120.0 . . ?
C6_2 C7_2 C2_2 120.0 . . ?
C6_2 C7_2 H7_2 120.0 . . ?
C2_2 C7_2 H7_2 120.0 . . ?
C8_2 O5_2 Ga1_2 126.7(5) . . ?
C8_2 O6_2 Nd1 137.2(5) . . ?
C16_2 N2_2 C19_2 110.5(9) . . ?
C16_2 N2_2 C13_2 119.3(10) . . ?
C19_2 N2_2 C13_2 130.2(11) . . ?
O6_2 C8_2 O5_2 126.6(6) . . ?
O6_2 C8_2 C9_2 117.9(6) . . ?
O5_2 C8_2 C9_2 115.5(6) . . ?
C14_2 C9_2 C10_2 121.4(7) . . ?
C14_2 C9_2 C8_2 119.8(6) . . ?
C10_2 C9_2 C8_2 118.8(6) . . ?
C11_2 C10_2 C9_2 117.9(7) . . ?
C11_2 C10_2 H10_2 121.1 . . ?
C9_2 C10_2 H10_2 121.1 . . ?
C12_2 C11_2 C10_2 121.5(7) . . ?
C12_2 C11_2 C15_2 120.8(7) . . ?
C10_2 C11_2 C15_2 117.5(6) . . ?
C11_2 C12_2 C13_2 120.6(8) . . ?
C11_2 C12_2 H12_2 119.7 . . ?
C13_2 C12_2 H12_2 119.7 . . ?
C12_2 C13_2 C14_2 119.6(8) . . ?
C12_2 C13_2 N2_2 122.6(8) . . ?
C14_2 C13_2 N2_2 117.0(7) . . ?
C9_2 C14_2 C13_2 118.4(7) . . ?
C9_2 C14_2 H14_2 120.8 . . ?
C13_2 C14_2 H14_2 120.8 . . ?
O8_2 C15_2 O7_2 126.4(6) . . ?
O8_2 C15_2 C11_2 118.3(6) . . ?
O7_2 C15_2 C11_2 115.2(6) . . ?
O9_2 C16_2 N2_2 125.2(13) . . ?
O9_2 C16_2 C17_2 130.8(14) . . ?
N2_2 C16_2 C17_2 104.0(10) . . ?
C18_2 C17_2 C16_2 112.4(13) . . ?
C18_2 C17_2 H17_2 123.8 . . ?
C16_2 C17_2 H17_2 123.8 . . ?
C17_2 C18_2 C19_2 104.9(12) . . ?
C17_2 C18_2 H18_2 127.6 . . ?
C19_2 C18_2 H18_2 127.6 . . ?
O10_2 C19_2 N2_2 129.3(13) . . ?
O10_2 C19_2 C18_2 122.5(13) . . ?
N2_2 C19_2 C18_2 108.3(11) . . ?
O3_2 Ga1_3 O1_3 178.0(3) . . ?
O3_2 Ga1_3 O2_3 98.3(3) . . ?
O1_3 Ga1_3 O2_3 81.1(2) . . ?
O3_2 Ga1_3 N1_2 91.6(2) . . ?
O1_3 Ga1_3 N1_2 88.7(2) . . ?
O2_3 Ga1_3 N1_2 166.6(3) . . ?
O3_2 Ga1_3 O4_3 89.4(3) . . ?
O1_3 Ga1_3 O4_3 88.6(3) . . ?
O2_3 Ga1_3 O4_3 84.8(3) . . ?
N1_2 Ga1_3 O4_3 86.3(3) . . ?
N1_3 O1_3 Ga1_3 113.4(5) . . ?
N1_3 O1_3 Nd1 122.0(5) . . ?
Ga1_3 O1_3 Nd1 121.8(2) . . ?
C1_3 O2_3 Ga1_3 111.1(5) . . ?
C3_3 O3_3 Ga1_4 126.5(5) . . ?
Ga1_3 O4_3 H4A_3 136.9 . . ?
Ga1_3 O4_3 H4B_3 114.4 . . ?
H4A_3 O4_3 H4B_3 108.0 . . ?
C1_3 N1_3 O1_3 110.0(8) . . ?
C1_3 N1_3 Ga1_4 130.3(7) . . ?
O1_3 N1_3 Ga1_4 117.2(6) . . ?
O2_3 C1_3 N1_3 123.8(7) . . ?
O2_3 C1_3 C2_3 117.7(7) . . ?
N1_3 C1_3 C2_3 118.5(8) . . ?
C3_3 C2_3 C7_3 120.0 . . ?
C3_3 C2_3 C1_3 124.5(6) . . ?
C7_3 C2_3 C1_3 115.5(6) . . ?
C2_3 C3_3 C4_3 120.0 . . ?
C2_3 C3_3 O3_3 126.3(6) . . ?
C4_3 C3_3 O3_3 113.5(6) . . ?
C3_3 C4_3 C5_3 120.0 . . ?
C3_3 C4_3 H4_3 120.0 . . ?
C5_3 C4_3 H4_3 120.0 . . ?
C4_3 C5_3 C6_3 120.0 . . ?
C4_3 C5_3 H5_3 120.0 . . ?
C6_3 C5_3 H5_3 120.0 . . ?
C5_3 C6_3 C7_3 120.0 . . ?
C5_3 C6_3 H6_3 120.0 . . ?
C7_3 C6_3 H6_3 120.0 . . ?
C6_3 C7_3 C2_3 120.0 . . ?
C6_3 C7_3 H7_3 120.0 . . ?
C2_3 C7_3 H7_3 120.0 . . ?
O3_3 Ga1_4 O1_4 176.6(3) . . ?
O3_3 Ga1_4 O2_4 96.9(3) . . ?
O1_4 Ga1_4 O2_4 81.3(2) . . ?
O3_3 Ga1_4 N1_3 92.0(3) . . ?
O1_4 Ga1_4 N1_3 89.4(3) . . ?
O2_4 Ga1_4 N1_3 167.6(5) . . ?
O3_3 Ga1_4 O4_4 88.3(3) . . ?
O1_4 Ga1_4 O4_4 88.6(3) . . ?
O2_4 Ga1_4 O4_4 83.8(3) . . ?
N1_3 Ga1_4 O4_4 87.8(6) . . ?
N1_4 O1_4 Ga1_4 112.9(5) . . ?
N1_4 O1_4 Nd1 123.5(4) . . ?
Ga1_4 O1_4 Nd1 120.9(2) . . ?
C1_4 O2_4 Ga1_4 111.2(5) . . ?
C3_4 O3_4 Ga1_1 128.5(5) . . ?
Ga1_4 O4_4 H4A_4 120.1 . . ?
Ga1_4 O4_4 H4B_4 131.9 . . ?
H4A_4 O4_4 H4B_4 107.1 . . ?
C1_4 N1_4 O1_4 111.7(8) . . ?
C1_4 N1_4 Ga1_1 130.5(6) . . ?
O1_4 N1_4 Ga1_1 117.3(5) . . ?
O2_4 C1_4 N1_4 122.2(7) . . ?
O2_4 C1_4 C2_4 119.5(7) . . ?
N1_4 C1_4 C2_4 118.2(7) . . ?
C3_4 C2_4 C7_4 120.0 . . ?
C3_4 C2_4 C1_4 125.8(5) . . ?
C7_4 C2_4 C1_4 114.1(5) . . ?
O3_4 C3_4 C2_4 125.1(5) . . ?
O3_4 C3_4 C4_4 114.9(5) . . ?
C2_4 C3_4 C4_4 120.0 . . ?
C3_4 C4_4 C5_4 120.0 . . ?
C3_4 C4_4 H4_4 120.0 . . ?
C5_4 C4_4 H4_4 120.0 . . ?
C6_4 C5_4 C4_4 120.0 . . ?
C6_4 C5_4 H5_4 120.0 . . ?
C4_4 C5_4 H5_4 120.0 . . ?
C7_4 C6_4 C5_4 120.0 . . ?
C7_4 C6_4 H6_4 120.0 . . ?
C5_4 C6_4 H6_4 120.0 . . ?
C6_4 C7_4 C2_4 120.0 . . ?
C6_4 C7_4 H7_4 120.0 . . ?
C2_4 C7_4 H7_4 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C3_5 N1_5 C1_5 O4_1 175(2) . . . . ?
C2_5 N1_5 C1_5 O4_1 5(3) . . . . ?
O2_5 C7_5 N3_5 C9_5 -174.9(17) . . . . ?
O2_5 C7_5 N3_5 C8_5 3(3) . . . . ?
O1_5 C4_5 N2_5 C6_5 -177(2) . . . . ?
O1_5 C4_5 N2_5 C5_5 5(2) . . . . ?
O1B_5 C4B_5 N2B_5 C5B_5 4(5) . . . . ?
O1B_5 C4B_5 N2B_5 C6B_5 177(3) . . . . ?
O2B_5 C7B_5 N3B_5 C9B_5 177(3) . . . . ?
O2B_5 C7B_5 N3B_5 C8B_5 1(3) . . . . ?
N1_5 C1_5 O4_1 Ga1_1 176.7(15) . . . . ?
Ga1_1 O1_1 N1_1 C1_1 5.7(15) . . . . ?
Nd1 O1_1 N1_1 C1_1 -154.4(8) . . . . ?
Ga1_1 O1_1 N1_1 Ga1_2 -167.3(7) . . . . ?
Nd1 O1_1 N1_1 Ga1_2 32.5(14) . . . . ?
Ga1_1 O2_1 C1_1 N1_1 -5.9(13) . . . . ?
Ga1_1 O2_1 C1_1 C2_1 175.4(7) . . . . ?
O1_1 N1_1 C1_1 O2_1 0.2(18) . . . . ?
Ga1_2 N1_1 C1_1 O2_1 172.1(10) . . . . ?
O1_1 N1_1 C1_1 C2_1 178.9(9) . . . . ?
Ga1_2 N1_1 C1_1 C2_1 -9(2) . . . . ?
O2_1 C1_1 C2_1 C3_1 -170.6(7) . . . . ?
N1_1 C1_1 C2_1 C3_1 10.7(14) . . . . ?
O2_1 C1_1 C2_1 C7_1 4.5(11) . . . . ?
N1_1 C1_1 C2_1 C7_1 -174.3(11) . . . . ?
Ga1_2 O3_1 C3_1 C2_1 4.6(11) . . . . ?
Ga1_2 O3_1 C3_1 C4_1 -178.7(6) . . . . ?
C7_1 C2_1 C3_1 O3_1 176.7(9) . . . . ?
C1_1 C2_1 C3_1 O3_1 -8.6(11) . . . . ?
C7_1 C2_1 C3_1 C4_1 0.0 . . . . ?
C1_1 C2_1 C3_1 C4_1 174.7(10) . . . . ?
O3_1 C3_1 C4_1 C5_1 -176.9(9) . . . . ?
C2_1 C3_1 C4_1 C5_1 0.0 . . . . ?
C3_1 C4_1 C5_1 C6_1 0.0 . . . . ?
C4_1 C5_1 C6_1 C7_1 0.0 . . . . ?
C5_1 C6_1 C7_1 C2_1 0.0 . . . . ?
C3_1 C2_1 C7_1 C6_1 0.0 . . . . ?
C1_1 C2_1 C7_1 C6_1 -175.4(9) . . . . ?
Nd1 O6_1 C8_1 O5_1 42.2(13) . . . . ?
Nd1 O6_1 C8_1 C9_1 -136.3(7) . . . . ?
Ga1_1 O5_1 C8_1 O6_1 -5.3(12) . . . . ?
Ga1_1 O5_1 C8_1 C9_1 173.2(6) . . . . ?
O6_1 C8_1 C9_1 C14_1 -178.2(10) . . . . ?
O5_1 C8_1 C9_1 C14_1 3.1(14) . . . . ?
O6_1 C8_1 C9_1 C10_1 -2.9(13) . . . . ?
O5_1 C8_1 C9_1 C10_1 178.4(9) . . . . ?
C14_1 C9_1 C10_1 C11_1 -1.2(17) . . . . ?
C8_1 C9_1 C10_1 C11_1 -176.6(9) . . . . ?
C9_1 C10_1 C11_1 C12_1 -1.0(17) . . . . ?
C9_1 C10_1 C11_1 C15_1 179.2(9) . . . . ?
C10_1 C11_1 C12_1 C13_1 -3(2) . . . . ?
C15_1 C11_1 C12_1 C13_1 177.2(12) . . . . ?
C11_1 C12_1 C13_1 C14_1 8(2) . . . . ?
C11_1 C12_1 C13_1 N2_1 175.1(12) . . . . ?
C16_1 N2_1 C13_1 C12_1 -113.8(13) . . . . ?
C19_1 N2_1 C13_1 C12_1 66.2(13) . . . . ?
C16_1 N2_1 C13_1 C14_1 52.9(12) . . . . ?
C19_1 N2_1 C13_1 C14_1 -127.1(12) . . . . ?
C10_1 C9_1 C14_1 C13_1 6.9(19) . . . . ?
C8_1 C9_1 C14_1 C13_1 -177.9(11) . . . . ?
C12_1 C13_1 C14_1 C9_1 -10(2) . . . . ?
N2_1 C13_1 C14_1 C9_1 -177.0(11) . . . . ?
C12_1 C11_1 C15_1 O8_1 179.5(10) . . . . ?
C10_1 C11_1 C15_1 O8_1 -0.6(13) . . . . ?
C12_1 C11_1 C15_1 O7_1 -0.8(14) . . . . ?
C10_1 C11_1 C15_1 O7_1 179.1(9) . . . . ?
C13_1 N2_1 C16_1 O9_1 -0.1(4) . . . . ?
C19_1 N2_1 C16_1 O9_1 179.9(3) . . . . ?
C13_1 N2_1 C16_1 C17_1 179.92(16) . . . . ?
C19_1 N2_1 C16_1 C17_1 -0.1(3) . . . . ?
O9_1 C16_1 C17_1 C18_1 -179.8(3) . . . . ?
N2_1 C16_1 C17_1 C18_1 0.2(4) . . . . ?
C16_1 C17_1 C18_1 C19_1 -0.2(4) . . . . ?
C16_1 N2_1 C19_1 O10_1 179.9(4) . . . . ?
C13_1 N2_1 C19_1 O10_1 -0.1(5) . . . . ?
C16_1 N2_1 C19_1 C18_1 -0.1(3) . . . . ?
C13_1 N2_1 C19_1 C18_1 179.95(15) . . . . ?
C17_1 C18_1 C19_1 O10_1 -179.8(3) . . . . ?
C17_1 C18_1 C19_1 N2_1 0.2(3) . . . . ?
C3_1 O3_1 Ga1_2 O2_2 168.1(8) . . . . ?
C3_1 O3_1 Ga1_2 N1_1 -2.2(9) . . . . ?
C3_1 O3_1 Ga1_2 O5_2 -101.2(8) . . . . ?
C3_1 O3_1 Ga1_2 O4_2 83.8(8) . . . . ?
Ga1_2 O1_2 N1_2 C1_2 5.8(7) . . . . ?
Nd1 O1_2 N1_2 C1_2 -154.5(5) . . . . ?
Ga1_2 O1_2 N1_2 Ga1_3 -162.7(3) . . . . ?
Nd1 O1_2 N1_2 Ga1_3 37.1(6) . . . . ?
Ga1_2 O2_2 C1_2 N1_2 -7.0(9) . . . . ?
Ga1_2 O2_2 C1_2 C2_2 173.4(5) . . . . ?
O1_2 N1_2 C1_2 O2_2 1.0(10) . . . . ?
Ga1_3 N1_2 C1_2 O2_2 167.7(6) . . . . ?
O1_2 N1_2 C1_2 C2_2 -179.4(6) . . . . ?
Ga1_3 N1_2 C1_2 C2_2 -12.7(10) . . . . ?
O2_2 C1_2 C2_2 C3_2 -172.7(7) . . . . ?
N1_2 C1_2 C2_2 C3_2 7.7(10) . . . . ?
O2_2 C1_2 C2_2 C7_2 4.9(9) . . . . ?
N1_2 C1_2 C2_2 C7_2 -174.7(6) . . . . ?
Ga1_3 O3_2 C3_2 C2_2 -0.2(11) . . . . ?
Ga1_3 O3_2 C3_2 C4_2 -179.0(5) . . . . ?
C7_2 C2_2 C3_2 O3_2 -178.7(8) . . . . ?
C1_2 C2_2 C3_2 O3_2 -1.2(10) . . . . ?
C7_2 C2_2 C3_2 C4_2 0.0 . . . . ?
C1_2 C2_2 C3_2 C4_2 177.5(7) . . . . ?
O3_2 C3_2 C4_2 C5_2 178.9(7) . . . . ?
C2_2 C3_2 C4_2 C5_2 0.0 . . . . ?
C3_2 C4_2 C5_2 C6_2 0.0 . . . . ?
C4_2 C5_2 C6_2 C7_2 0.0 . . . . ?
C5_2 C6_2 C7_2 C2_2 0.0 . . . . ?
C3_2 C2_2 C7_2 C6_2 0.0 . . . . ?
C1_2 C2_2 C7_2 C6_2 -177.8(7) . . . . ?
Nd1 O6_2 C8_2 O5_2 47.2(12) . . . . ?
Nd1 O6_2 C8_2 C9_2 -134.0(7) . . . . ?
Ga1_2 O5_2 C8_2 O6_2 -9.8(12) . . . . ?
Ga1_2 O5_2 C8_2 C9_2 171.3(6) . . . . ?
O6_2 C8_2 C9_2 C14_2 -179.9(10) . . . . ?
O5_2 C8_2 C9_2 C14_2 -0.9(14) . . . . ?
O6_2 C8_2 C9_2 C10_2 0.8(14) . . . . ?
O5_2 C8_2 C9_2 C10_2 179.8(9) . . . . ?
C14_2 C9_2 C10_2 C11_2 3.7(18) . . . . ?
C8_2 C9_2 C10_2 C11_2 -176.9(10) . . . . ?
C9_2 C10_2 C11_2 C12_2 0.2(19) . . . . ?
C9_2 C10_2 C11_2 C15_2 175.4(10) . . . . ?
C10_2 C11_2 C12_2 C13_2 -7(2) . . . . ?
C15_2 C11_2 C12_2 C13_2 178.2(13) . . . . ?
C11_2 C12_2 C13_2 C14_2 9(2) . . . . ?
C11_2 C12_2 C13_2 N2_2 178.8(12) . . . . ?
C16_2 N2_2 C13_2 C12_2 -53.2(14) . . . . ?
C19_2 N2_2 C13_2 C12_2 126.7(14) . . . . ?
C16_2 N2_2 C13_2 C14_2 116.6(13) . . . . ?
C19_2 N2_2 C13_2 C14_2 -63.4(13) . . . . ?
C10_2 C9_2 C14_2 C13_2 -1(2) . . . . ?
C8_2 C9_2 C14_2 C13_2 179.4(12) . . . . ?
C12_2 C13_2 C14_2 C9_2 -5(2) . . . . ?
N2_2 C13_2 C14_2 C9_2 -175.3(12) . . . . ?
C12_2 C11_2 C15_2 O8_2 176.1(11) . . . . ?
C10_2 C11_2 C15_2 O8_2 0.9(15) . . . . ?
C12_2 C11_2 C15_2 O7_2 -2.7(16) . . . . ?
C10_2 C11_2 C15_2 O7_2 -177.9(10) . . . . ?
C19_2 N2_2 C16_2 O9_2 -179.9(3) . . . . ?
C13_2 N2_2 C16_2 O9_2 0.0(4) . . . . ?
C19_2 N2_2 C16_2 C17_2 0.2(3) . . . . ?
C13_2 N2_2 C16_2 C17_2 -179.91(15) . . . . ?
O9_2 C16_2 C17_2 C18_2 179.9(3) . . . . ?
N2_2 C16_2 C17_2 C18_2 -0.2(4) . . . . ?
C16_2 C17_2 C18_2 C19_2 0.1(4) . . . . ?
C16_2 N2_2 C19_2 O10_2 -179.9(3) . . . . ?
C13_2 N2_2 C19_2 O10_2 0.2(5) . . . . ?
C16_2 N2_2 C19_2 C18_2 -0.1(3) . . . . ?
C13_2 N2_2 C19_2 C18_2 179.97(15) . . . . ?
C17_2 C18_2 C19_2 O10_2 179.8(3) . . . . ?
C17_2 C18_2 C19_2 N2_2 0.0(3) . . . . ?
C3_2 O3_2 Ga1_3 O2_3 168.1(7) . . . . ?
C3_2 O3_2 Ga1_3 N1_2 -2.8(7) . . . . ?
C3_2 O3_2 Ga1_3 O4_3 83.5(7) . . . . ?
Ga1_3 O1_3 N1_3 C1_3 2.1(15) . . . . ?
Nd1 O1_3 N1_3 C1_3 -159.2(8) . . . . ?
Ga1_3 O1_3 N1_3 Ga1_4 -161.9(6) . . . . ?
Nd1 O1_3 N1_3 Ga1_4 36.9(14) . . . . ?
Ga1_3 O2_3 C1_3 N1_3 -9.0(14) . . . . ?
Ga1_3 O2_3 C1_3 C2_3 172.4(6) . . . . ?
O1_3 N1_3 C1_3 O2_3 4.8(18) . . . . ?
Ga1_4 N1_3 C1_3 O2_3 166.0(10) . . . . ?
O1_3 N1_3 C1_3 C2_3 -176.6(9) . . . . ?
Ga1_4 N1_3 C1_3 C2_3 -15(2) . . . . ?
O2_3 C1_3 C2_3 C3_3 -178.3(7) . . . . ?
N1_3 C1_3 C2_3 C3_3 3.1(14) . . . . ?
O2_3 C1_3 C2_3 C7_3 1.4(11) . . . . ?
N1_3 C1_3 C2_3 C7_3 -177.2(10) . . . . ?
C7_3 C2_3 C3_3 C4_3 0.0 . . . . ?
C1_3 C2_3 C3_3 C4_3 179.7(9) . . . . ?
C7_3 C2_3 C3_3 O3_3 -173.8(9) . . . . ?
C1_3 C2_3 C3_3 O3_3 5.9(10) . . . . ?
Ga1_4 O3_3 C3_3 C2_3 -2.2(11) . . . . ?
Ga1_4 O3_3 C3_3 C4_3 -176.3(6) . . . . ?
C2_3 C3_3 C4_3 C5_3 0.0 . . . . ?
O3_3 C3_3 C4_3 C5_3 174.6(8) . . . . ?
C3_3 C4_3 C5_3 C6_3 0.0 . . . . ?
C4_3 C5_3 C6_3 C7_3 0.0 . . . . ?
C5_3 C6_3 C7_3 C2_3 0.0 . . . . ?
C3_3 C2_3 C7_3 C6_3 0.0 . . . . ?
C1_3 C2_3 C7_3 C6_3 -179.7(8) . . . . ?
C3_3 O3_3 Ga1_4 O2_4 165.3(8) . . . . ?
C3_3 O3_3 Ga1_4 N1_3 -6.0(9) . . . . ?
C3_3 O3_3 Ga1_4 O4_4 81.8(8) . . . . ?
O2_1 Ga1_1 O3_4 C3_4 168.5(7) . . . . ?
N1_4 Ga1_1 O3_4 C3_4 1.4(7) . . . . ?
O5_1 Ga1_1 O3_4 C3_4 -99.2(7) . . . . ?
O4_1 Ga1_1 O3_4 C3_4 87.0(7) . . . . ?
Ga1_4 O1_4 N1_4 C1_4 6.3(7) . . . . ?
Nd1 O1_4 N1_4 C1_4 -154.9(5) . . . . ?
Ga1_4 O1_4 N1_4 Ga1_1 -167.1(3) . . . . ?
Nd1 O1_4 N1_4 Ga1_1 31.7(6) . . . . ?
Ga1_4 O2_4 C1_4 N1_4 -5.9(10) . . . . ?
Ga1_4 O2_4 C1_4 C2_4 171.0(6) . . . . ?
O1_4 N1_4 C1_4 O2_4 -0.2(10) . . . . ?
Ga1_1 N1_4 C1_4 O2_4 172.1(6) . . . . ?
O1_4 N1_4 C1_4 C2_4 -177.1(6) . . . . ?
Ga1_1 N1_4 C1_4 C2_4 -4.9(11) . . . . ?
O2_4 C1_4 C2_4 C3_4 -175.7(8) . . . . ?
N1_4 C1_4 C2_4 C3_4 1.4(12) . . . . ?
O2_4 C1_4 C2_4 C7_4 7.5(9) . . . . ?
N1_4 C1_4 C2_4 C7_4 -175.4(6) . . . . ?
Ga1_1 O3_4 C3_4 C2_4 -4.7(12) . . . . ?
Ga1_1 O3_4 C3_4 C4_4 175.4(5) . . . . ?
C7_4 C2_4 C3_4 O3_4 -179.9(9) . . . . ?
C1_4 C2_4 C3_4 O3_4 3.5(13) . . . . ?
C7_4 C2_4 C3_4 C4_4 0.0 . . . . ?
C1_4 C2_4 C3_4 C4_4 -176.6(8) . . . . ?
O3_4 C3_4 C4_4 C5_4 179.9(8) . . . . ?
C2_4 C3_4 C4_4 C5_4 0.0 . . . . ?
C3_4 C4_4 C5_4 C6_4 0.0 . . . . ?
C4_4 C5_4 C6_4 C7_4 0.0 . . . . ?
C5_4 C6_4 C7_4 C2_4 0.0 . . . . ?
C3_4 C2_4 C7_4 C6_4 0.0 . . . . ?
C1_4 C2_4 C7_4 C6_4 177.0(8) . . . . ?

_refine_diff_density_max         1.358
_refine_diff_density_min         -1.544
_refine_diff_density_rms         0.110



