#------------------------------------------------------------------------------
#$Date: 2021-07-05 20:40:26 +0300 (Mon, 05 Jul 2021) $
#$Revision: 267183 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/74/7707480.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_7707480
loop_
_publ_author_name
'Dodonov, Vladimir A.'
'Kushnerova, Olga A.'
'Baranov, Evgeny V.'
'Novikov, Alexander S.'
'Fedushkin, Igor L.'
_publ_section_title
;
 Activation and modification of carbon dioxide by redox-active low-valent
 gallium species.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8899
_journal_page_last               8906
_journal_paper_doi               10.1039/d1dt01199e
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C98 H128 Ga2 N4 Na2 O16, 2.5 C4 H10 O2'
_chemical_formula_sum            'C98 H128 Ga2 N4 Na2 O16'
_chemical_formula_weight         1803.46
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-03-04 deposited with the CCDC.	2021-05-25 downloaded from the CCDC.
;
_cell_angle_alpha                93.983(2)
_cell_angle_beta                 113.353(2)
_cell_angle_gamma                113.780(2)
_cell_formula_units_Z            1
_cell_length_a                   13.9328(8)
_cell_length_b                   14.1924(8)
_cell_length_c                   15.9393(9)
_cell_measurement_reflns_used    7982
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.54
_cell_measurement_theta_min      2.66
_cell_volume                     2547.4(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker D8 Quest CMOS'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1138
_diffrn_reflns_av_unetI/netI     0.1718
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            32214
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.998
_diffrn_reflns_theta_min         2.657
_diffrn_source                   'microfocus sealed tube'
_exptl_absorpt_coefficient_mu    0.598
_exptl_absorpt_correction_T_max  0.9281
_exptl_absorpt_correction_T_min  0.7248
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2 (Bruker AXS Inc.)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.176
_exptl_crystal_description       prism
_exptl_crystal_F_000             956
_exptl_crystal_size_max          0.195
_exptl_crystal_size_mid          0.181
_exptl_crystal_size_min          0.073
_refine_diff_density_max         1.352
_refine_diff_density_min         -1.085
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         11014
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.1548
_refine_ls_R_factor_gt           0.0830
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0812P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1630
_refine_ls_wR_factor_ref         0.1811
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6410
_reflns_number_total             11014
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt01199e25.cif
_cod_data_source_block           gabiannaco18cr6m_sq
_cod_depositor_comments
'Adding full bibliography for 7707480--7707489.cif.'
_cod_database_code               7707480
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.892
_shelx_estimated_absorpt_t_max   0.958
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Ga1 Ga 0.47440(4) 0.57209(4) 0.91617(3) 0.01436(15) Uani 1 1 d . . . . .
O1 O 0.4429(3) 0.4271(2) 0.88440(19) 0.0203(7) Uani 1 1 d . . . . .
O2 O 0.4461(3) 0.2797(3) 0.9167(2) 0.0356(9) Uani 1 1 d . . . . .
N1 N 0.5622(3) 0.6411(3) 0.8522(2) 0.0151(8) Uani 1 1 d . . . . .
N2 N 0.3405(3) 0.5801(3) 0.8251(2) 0.0144(8) Uani 1 1 d . . . . .
C1 C 0.4848(4) 0.6531(3) 0.7715(3) 0.0155(9) Uani 1 1 d . . . . .
C2 C 0.3715(4) 0.6219(3) 0.7571(3) 0.0154(9) Uani 1 1 d . . . . .
C3 C 0.3000(4) 0.6272(3) 0.6632(3) 0.0185(10) Uani 1 1 d . . . . .
C4 C 0.3776(4) 0.6626(4) 0.6229(3) 0.0224(11) Uani 1 1 d . . . . .
C5 C 0.4933(4) 0.6795(3) 0.6869(3) 0.0193(10) Uani 1 1 d . . . . .
C6 C 0.5778(4) 0.7112(4) 0.6569(3) 0.0289(12) Uani 1 1 d . . . . .
H6A H 0.656049 0.724845 0.698082 0.035 Uiso 1 1 calc R U . . .
C7 C 0.5474(5) 0.7237(4) 0.5632(3) 0.0359(13) Uani 1 1 d . . . . .
H7A H 0.606290 0.745244 0.542480 0.043 Uiso 1 1 calc R U . . .
C8 C 0.4356(5) 0.7055(4) 0.5025(4) 0.0377(13) Uani 1 1 d . . . . .
H8A H 0.418236 0.713596 0.440308 0.045 Uiso 1 1 calc R U . . .
C9 C 0.3450(4) 0.6747(4) 0.5309(3) 0.0287(12) Uani 1 1 d . . . . .
C10 C 0.2241(5) 0.6492(4) 0.4770(3) 0.0360(13) Uani 1 1 d . . . . .
H10A H 0.195770 0.654873 0.413724 0.043 Uiso 1 1 calc R U . . .
C11 C 0.1490(4) 0.6167(4) 0.5154(3) 0.0325(13) Uani 1 1 d . . . . .
H11A H 0.069031 0.601220 0.477929 0.039 Uiso 1 1 calc R U . . .
C12 C 0.1841(4) 0.6048(4) 0.6092(3) 0.0234(11) Uani 1 1 d . . . . .
H12A H 0.129134 0.581916 0.633800 0.028 Uiso 1 1 calc R U . . .
C13 C 0.6864(4) 0.6995(3) 0.8894(3) 0.0176(10) Uani 1 1 d . . . . .
C14 C 0.7481(4) 0.8091(4) 0.9356(3) 0.0206(10) Uani 1 1 d . . . . .
C15 C 0.8702(4) 0.8620(4) 0.9727(3) 0.0268(11) Uani 1 1 d . . . . .
H15A H 0.912145 0.936289 1.004109 0.032 Uiso 1 1 calc R U . . .
C16 C 0.9328(4) 0.8099(4) 0.9654(3) 0.0299(12) Uani 1 1 d . . . . .
H16A H 1.016272 0.848284 0.989777 0.036 Uiso 1 1 calc R U . . .
C17 C 0.8717(4) 0.7007(4) 0.9218(3) 0.0259(11) Uani 1 1 d . . . . .
H17A H 0.914500 0.664108 0.918030 0.031 Uiso 1 1 calc R U . . .
C18 C 0.7492(4) 0.6439(4) 0.8836(3) 0.0205(10) Uani 1 1 d . . . . .
C19 C 0.6837(4) 0.8687(4) 0.9493(3) 0.0290(12) Uani 1 1 d . . . . .
H19A H 0.602487 0.813857 0.935065 0.035 Uiso 1 1 calc R U . . .
C20 C 0.6696(5) 0.9355(4) 0.8784(4) 0.0468(15) Uani 1 1 d . . . . .
H20A H 0.630090 0.889427 0.813750 0.070 Uiso 1 1 calc R U . . .
H20B H 0.747803 0.991830 0.891949 0.070 Uiso 1 1 calc R U . . .
H20C H 0.621739 0.968258 0.884224 0.070 Uiso 1 1 calc R U . . .
C21 C 0.7430(5) 0.9373(4) 1.0502(3) 0.0358(13) Uani 1 1 d . . . . .
H21A H 0.758004 0.894389 1.094620 0.054 Uiso 1 1 calc R U . . .
H21B H 0.691118 0.963598 1.057940 0.054 Uiso 1 1 calc R U . . .
H21C H 0.818268 0.998129 1.063244 0.054 Uiso 1 1 calc R U . . .
C22 C 0.6860(4) 0.5244(4) 0.8386(3) 0.0284(12) Uani 1 1 d . . . . .
H22A H 0.601673 0.498200 0.824913 0.034 Uiso 1 1 calc R U . . .
C23 C 0.6842(5) 0.4969(4) 0.7439(3) 0.0363(13) Uani 1 1 d . . . . .
H23A H 0.641799 0.418973 0.717390 0.054 Uiso 1 1 calc R U . . .
H23B H 0.765642 0.524524 0.753486 0.054 Uiso 1 1 calc R U . . .
H23C H 0.643985 0.529342 0.699907 0.054 Uiso 1 1 calc R U . . .
C24 C 0.7342(5) 0.4649(4) 0.9059(4) 0.0396(14) Uani 1 1 d . . . . .
H24A H 0.684295 0.387570 0.876850 0.059 Uiso 1 1 calc R U . . .
H24B H 0.733712 0.484139 0.965899 0.059 Uiso 1 1 calc R U . . .
H24C H 0.815440 0.484651 0.918048 0.059 Uiso 1 1 calc R U . . .
C25 C 0.2375(4) 0.5713(4) 0.8287(3) 0.0176(10) Uani 1 1 d . . . . .
C26 C 0.2277(4) 0.6628(4) 0.8528(3) 0.0245(11) Uani 1 1 d . . . . .
C27 C 0.1253(4) 0.6493(4) 0.8552(4) 0.0370(13) Uani 1 1 d . . . . .
H27A H 0.118366 0.710776 0.872351 0.044 Uiso 1 1 calc R U . . .
C28 C 0.0322(4) 0.5489(5) 0.8333(4) 0.0412(14) Uani 1 1 d . . . . .
H28A H -0.037858 0.542091 0.834535 0.049 Uiso 1 1 calc R U . . .
C29 C 0.0417(4) 0.4595(4) 0.8099(3) 0.0317(12) Uani 1 1 d . . . . .
H29A H -0.021988 0.390603 0.795280 0.038 Uiso 1 1 calc R U . . .
C30 C 0.1440(4) 0.4688(4) 0.8074(3) 0.0225(11) Uani 1 1 d . . . . .
C31 C 0.3287(4) 0.7756(4) 0.8806(3) 0.0305(12) Uani 1 1 d . . . . .
H31A H 0.395180 0.768300 0.876332 0.037 Uiso 1 1 calc R U . . .
C32 C 0.3748(5) 0.8343(4) 0.9833(3) 0.0365(13) Uani 1 1 d . . . . .
H32A H 0.443007 0.904349 1.000612 0.055 Uiso 1 1 calc R U . . .
H32B H 0.398886 0.792115 1.025381 0.055 Uiso 1 1 calc R U . . .
H32C H 0.312034 0.843997 0.989702 0.055 Uiso 1 1 calc R U . . .
C33 C 0.2934(5) 0.8399(4) 0.8124(4) 0.0430(15) Uani 1 1 d . . . . .
H33A H 0.360363 0.911663 0.832703 0.065 Uiso 1 1 calc R U . . .
H33B H 0.225789 0.845788 0.812622 0.065 Uiso 1 1 calc R U . . .
H33C H 0.271448 0.803619 0.748092 0.065 Uiso 1 1 calc R U . . .
C34 C 0.1525(4) 0.3693(4) 0.7808(3) 0.0220(10) Uani 1 1 d . . . . .
H34A H 0.235115 0.393139 0.790653 0.026 Uiso 1 1 calc R U . . .
C35 C 0.1313(6) 0.2930(5) 0.8417(4) 0.0495(16) Uani 1 1 d . . . . .
H35A H 0.143081 0.232839 0.823106 0.074 Uiso 1 1 calc R U . . .
H35B H 0.050002 0.266074 0.832343 0.074 Uiso 1 1 calc R U . . .
H35C H 0.187112 0.330975 0.908703 0.074 Uiso 1 1 calc R U . . .
C36 C 0.0690(5) 0.3105(4) 0.6753(4) 0.0498(17) Uani 1 1 d . . . . .
H36A H 0.074437 0.245308 0.660052 0.075 Uiso 1 1 calc R U . . .
H36B H 0.091804 0.357150 0.636662 0.075 Uiso 1 1 calc R U . . .
H36C H -0.012551 0.291442 0.661696 0.075 Uiso 1 1 calc R U . . .
C37 C 0.4643(4) 0.3707(4) 0.9449(3) 0.0185(10) Uani 1 1 d . . . . .
Na1 Na 0.12710(16) 0.11979(15) 0.47283(12) 0.0297(5) Uani 1 1 d . . . . .
O3 O 0.0842(3) -0.0316(3) 0.5785(2) 0.0276(8) Uani 1 1 d . . . . .
O4 O 0.1458(3) -0.0409(3) 0.4326(2) 0.0384(9) Uani 1 1 d . . . . .
O5 O 0.1457(3) 0.1010(3) 0.3266(2) 0.0345(9) Uani 1 1 d . . . . .
O6 O 0.0554(3) 0.2334(3) 0.3550(2) 0.0380(9) Uani 1 1 d . . . . .
O7 O 0.2369(3) 0.3107(3) 0.5370(2) 0.0475(11) Uani 1 1 d . . . . .
O8 O 0.2554(5) 0.1815(5) 0.6438(5) 0.034(2) Uani 0.642(14) 1 d D U P A 1
O8' O 0.2946(12) 0.1734(6) 0.6374(6) 0.022(3) Uani 0.358(14) 1 d D U P A 2
C38 C 0.1160(5) -0.1101(4) 0.5552(3) 0.0320(12) Uani 1 1 d . . . . .
H38A H 0.042673 -0.175693 0.510769 0.038 Uiso 1 1 calc R U . . .
H38B H 0.154512 -0.128542 0.613841 0.038 Uiso 1 1 calc R U . . .
C39 C 0.1959(5) -0.0765(4) 0.5119(4) 0.0403(14) Uani 1 1 d . . . . .
H39A H 0.274465 -0.017934 0.559003 0.048 Uiso 1 1 calc R U . . .
H39B H 0.206659 -0.137378 0.491328 0.048 Uiso 1 1 calc R U . . .
C40 C 0.2104(6) -0.0241(5) 0.3790(4) 0.0522(17) Uani 1 1 d . . . . .
H40A H 0.213064 -0.090304 0.359061 0.063 Uiso 1 1 calc R U . . .
H40B H 0.292679 0.033794 0.417986 0.063 Uiso 1 1 calc R U . . .
C41 C 0.1476(6) 0.0060(5) 0.2941(4) 0.0567(18) Uani 1 1 d . . . . .
H41A H 0.189373 0.018698 0.254873 0.068 Uiso 1 1 calc R U . . .
H41B H 0.065744 -0.052438 0.254711 0.068 Uiso 1 1 calc R U . . .
C42 C 0.0831(5) 0.1321(5) 0.2502(4) 0.0469(16) Uani 1 1 d . . . . .
H42A H -0.002214 0.079692 0.218549 0.056 Uiso 1 1 calc R U . . .
H42B H 0.112986 0.134941 0.203042 0.056 Uiso 1 1 calc R U . . .
C43 C 0.1002(5) 0.2392(5) 0.2880(4) 0.0419(15) Uani 1 1 d . . . . .
H43A H 0.185543 0.291491 0.319193 0.050 Uiso 1 1 calc R U . . .
H43B H 0.057987 0.263355 0.235368 0.050 Uiso 1 1 calc R U . . .
C44 C 0.0952(5) 0.3360(5) 0.4113(4) 0.0453(15) Uani 1 1 d . . . . .
H44A H 0.044334 0.329477 0.442062 0.054 Uiso 1 1 calc R U . . .
H44B H 0.085489 0.383190 0.369262 0.054 Uiso 1 1 calc R U . . .
C45 C 0.2210(5) 0.3873(4) 0.4861(4) 0.0466(15) Uani 1 1 d . . . . .
H45A H 0.274567 0.408480 0.456844 0.056 Uiso 1 1 calc R U . . .
H45B H 0.239366 0.452200 0.529954 0.056 Uiso 1 1 calc R U . . .
C46 C 0.3383(5) 0.3560(4) 0.6260(3) 0.0385(14) Uani 1 1 d D . . . .
H46A H 0.325462 0.394951 0.671100 0.046 Uiso 0.642(14) 1 calc R U P A 1
H46B H 0.406722 0.408038 0.619829 0.046 Uiso 0.642(14) 1 calc R U P A 1
H46C H 0.345928 0.422529 0.658696 0.046 Uiso 0.358(14) 1 calc R U P A 2
H46D H 0.409511 0.374996 0.617012 0.046 Uiso 0.358(14) 1 calc R U P A 2
C47 C 0.3649(6) 0.2704(5) 0.6639(7) 0.038(3) Uani 0.642(14) 1 d D U P A 1
H47C H 0.404891 0.248697 0.633094 0.045 Uiso 0.642(14) 1 calc R U P A 1
H47D H 0.417801 0.297585 0.733269 0.045 Uiso 0.642(14) 1 calc R U P A 1
C47' C 0.3312(14) 0.2789(7) 0.6867(7) 0.021(4) Uani 0.358(14) 1 d D U P A 2
H47A H 0.409934 0.306045 0.742413 0.025 Uiso 0.358(14) 1 calc R U P A 2
H47B H 0.274686 0.276374 0.710513 0.025 Uiso 0.358(14) 1 calc R U P A 2
C48 C 0.2764(5) 0.1111(4) 0.7013(3) 0.0471(16) Uani 1 1 d D . . . .
H48A H 0.322555 0.149567 0.769807 0.057 Uiso 0.642(14) 1 calc R U P A 1
H48B H 0.318586 0.077582 0.684283 0.057 Uiso 0.642(14) 1 calc R U P A 1
H48C H 0.309379 0.161375 0.763583 0.057 Uiso 0.358(14) 1 calc R U P A 2
H48D H 0.324245 0.073147 0.710258 0.057 Uiso 0.358(14) 1 calc R U P A 2
C49 C 0.1539(4) 0.0305(4) 0.6768(3) 0.0332(13) Uani 1 1 d . . . . .
H49A H 0.158015 -0.018737 0.717585 0.040 Uiso 1 1 calc R U . . .
H49B H 0.113277 0.067807 0.691191 0.040 Uiso 1 1 calc R U . . .
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'
Na Na 0.0362 0.0249 '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
O1 Ga1 N2 106.57(13) . . ?
O1 Ga1 N1 104.15(14) . . ?
N2 Ga1 N1 89.26(14) . . ?
O1 Ga1 C37 111.79(15) . 2_667 ?
N2 Ga1 C37 120.80(16) . 2_667 ?
N1 Ga1 C37 121.19(16) . 2_667 ?
C37 O1 Ga1 125.9(3) . . ?
C1 N1 C13 122.1(3) . . ?
C1 N1 Ga1 107.3(3) . . ?
C13 N1 Ga1 128.0(3) . . ?
C2 N2 C25 121.3(3) . . ?
C2 N2 Ga1 106.9(2) . . ?
C25 N2 Ga1 130.5(3) . . ?
C2 C1 N1 118.2(4) . . ?
C2 C1 C5 109.0(4) . . ?
N1 C1 C5 132.1(4) . . ?
C1 C2 N2 118.0(3) . . ?
C1 C2 C3 109.9(4) . . ?
N2 C2 C3 131.5(4) . . ?
C12 C3 C4 118.0(4) . . ?
C12 C3 C2 137.0(4) . . ?
C4 C3 C2 105.0(4) . . ?
C9 C4 C3 124.8(4) . . ?
C9 C4 C5 124.1(4) . . ?
C3 C4 C5 111.0(4) . . ?
C6 C5 C4 117.9(4) . . ?
C6 C5 C1 137.0(4) . . ?
C4 C5 C1 105.0(4) . . ?
C5 C6 C7 119.4(4) . . ?
C5 C6 H6A 120.3 . . ?
C7 C6 H6A 120.3 . . ?
C8 C7 C6 121.7(5) . . ?
C8 C7 H7A 119.2 . . ?
C6 C7 H7A 119.2 . . ?
C7 C8 C9 121.2(5) . . ?
C7 C8 H8A 119.4 . . ?
C9 C8 H8A 119.4 . . ?
C4 C9 C10 115.4(5) . . ?
C4 C9 C8 115.6(4) . . ?
C10 C9 C8 128.9(4) . . ?
C11 C10 C9 120.5(4) . . ?
C11 C10 H10A 119.8 . . ?
C9 C10 H10A 119.8 . . ?
C10 C11 C12 123.1(4) . . ?
C10 C11 H11A 118.4 . . ?
C12 C11 H11A 118.4 . . ?
C3 C12 C11 118.2(4) . . ?
C3 C12 H12A 120.9 . . ?
C11 C12 H12A 120.9 . . ?
C14 C13 N1 121.3(4) . . ?
C14 C13 C18 120.0(4) . . ?
N1 C13 C18 118.6(4) . . ?
C15 C14 C13 118.9(4) . . ?
C15 C14 C19 120.1(4) . . ?
C13 C14 C19 121.0(4) . . ?
C16 C15 C14 122.0(5) . . ?
C16 C15 H15A 119.0 . . ?
C14 C15 H15A 119.0 . . ?
C15 C16 C17 119.0(4) . . ?
C15 C16 H16A 120.5 . . ?
C17 C16 H16A 120.5 . . ?
C16 C17 C18 121.2(4) . . ?
C16 C17 H17A 119.4 . . ?
C18 C17 H17A 119.4 . . ?
C17 C18 C13 118.8(4) . . ?
C17 C18 C22 119.7(4) . . ?
C13 C18 C22 121.4(4) . . ?
C21 C19 C14 112.9(4) . . ?
C21 C19 C20 110.9(4) . . ?
C14 C19 C20 110.4(4) . . ?
C21 C19 H19A 107.5 . . ?
C14 C19 H19A 107.5 . . ?
C20 C19 H19A 107.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C18 C22 C23 112.5(4) . . ?
C18 C22 C24 112.4(4) . . ?
C23 C22 C24 111.6(4) . . ?
C18 C22 H22A 106.6 . . ?
C23 C22 H22A 106.6 . . ?
C24 C22 H22A 106.6 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C30 120.0(4) . . ?
C26 C25 N2 120.9(4) . . ?
C30 C25 N2 119.1(4) . . ?
C27 C26 C25 118.3(4) . . ?
C27 C26 C31 119.6(4) . . ?
C25 C26 C31 122.0(4) . . ?
C26 C27 C28 122.1(5) . . ?
C26 C27 H27A 119.0 . . ?
C28 C27 H27A 119.0 . . ?
C29 C28 C27 119.7(5) . . ?
C29 C28 H28A 120.2 . . ?
C27 C28 H28A 120.2 . . ?
C28 C29 C30 120.5(5) . . ?
C28 C29 H29A 119.7 . . ?
C30 C29 H29A 119.7 . . ?
C29 C30 C25 119.3(4) . . ?
C29 C30 C34 119.8(4) . . ?
C25 C30 C34 120.9(4) . . ?
C26 C31 C32 111.2(4) . . ?
C26 C31 C33 112.0(4) . . ?
C32 C31 C33 111.4(4) . . ?
C26 C31 H31A 107.3 . . ?
C32 C31 H31A 107.3 . . ?
C33 C31 H31A 107.3 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C30 C34 C35 114.0(4) . . ?
C30 C34 C36 110.9(4) . . ?
C35 C34 C36 110.4(4) . . ?
C30 C34 H34A 107.1 . . ?
C35 C34 H34A 107.1 . . ?
C36 C34 H34A 107.1 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
O2 C37 O1 120.1(4) . . ?
O2 C37 Ga1 117.7(3) . 2_667 ?
O1 C37 Ga1 122.2(3) . 2_667 ?
O7 Na1 O3 118.88(14) . 2_556 ?
O7 Na1 O8 65.22(15) . . ?
O3 Na1 O8 116.1(2) 2_556 . ?
O7 Na1 O5 100.40(14) . . ?
O3 Na1 O5 105.19(13) 2_556 . ?
O8 Na1 O5 138.2(2) . . ?
O7 Na1 O4 143.32(15) . . ?
O3 Na1 O4 97.80(13) 2_556 . ?
O8 Na1 O4 100.4(2) . . ?
O5 Na1 O4 67.06(12) . . ?
O7 Na1 O8' 68.55(19) . . ?
O3 Na1 O8' 128.5(2) 2_556 . ?
O5 Na1 O8' 124.3(3) . . ?
O4 Na1 O8' 89.7(2) . . ?
O7 Na1 O6 64.53(12) . . ?
O3 Na1 O6 78.76(11) 2_556 . ?
O8 Na1 O6 128.15(18) . . ?
O5 Na1 O6 64.06(12) . . ?
O4 Na1 O6 127.86(13) . . ?
O8' Na1 O6 133.0(2) . . ?
O7 Na1 O3 125.66(12) . . ?
O3 Na1 O3 73.00(12) 2_556 . ?
O8 Na1 O3 62.87(14) . . ?
O5 Na1 O3 129.05(13) . . ?
O4 Na1 O3 62.99(11) . . ?
O8' Na1 O3 65.57(18) . . ?
O6 Na1 O3 151.19(12) . . ?
C38 O3 C49 114.1(4) . . ?
C38 O3 Na1 108.3(3) . 2_556 ?
C49 O3 Na1 113.2(3) . 2_556 ?
C38 O3 Na1 108.8(3) . . ?
C49 O3 Na1 105.1(3) . . ?
Na1 O3 Na1 107.00(12) 2_556 . ?
C39 O4 C40 110.7(4) . . ?
C39 O4 Na1 114.3(3) . . ?
C40 O4 Na1 110.4(3) . . ?
C42 O5 C41 111.4(4) . . ?
C42 O5 Na1 119.9(3) . . ?
C41 O5 Na1 116.6(3) . . ?
C44 O6 C43 112.2(4) . . ?
C44 O6 Na1 108.1(3) . . ?
C43 O6 Na1 109.8(3) . . ?
C46 O7 C45 113.9(4) . . ?
C46 O7 Na1 119.7(3) . . ?
C45 O7 Na1 125.6(3) . . ?
C47 O8 C48 110.1(5) . . ?
C47 O8 Na1 108.9(6) . . ?
C48 O8 Na1 123.4(4) . . ?
C47' O8' C48 104.3(6) . . ?
C47' O8' Na1 110.5(8) . . ?
C48 O8' Na1 119.1(7) . . ?
O3 C38 C39 114.7(4) . . ?
O3 C38 H38A 108.6 . . ?
C39 C38 H38A 108.6 . . ?
O3 C38 H38B 108.6 . . ?
C39 C38 H38B 108.6 . . ?
H38A C38 H38B 107.6 . . ?
O4 C39 C38 108.8(4) . . ?
O4 C39 H39A 109.9 . . ?
C38 C39 H39A 109.9 . . ?
O4 C39 H39B 109.9 . . ?
C38 C39 H39B 109.9 . . ?
H39A C39 H39B 108.3 . . ?
O4 C40 C41 107.2(5) . . ?
O4 C40 H40A 110.3 . . ?
C41 C40 H40A 110.3 . . ?
O4 C40 H40B 110.3 . . ?
C41 C40 H40B 110.3 . . ?
H40A C40 H40B 108.5 . . ?
O5 C41 C40 108.0(5) . . ?
O5 C41 H41A 110.1 . . ?
C40 C41 H41A 110.1 . . ?
O5 C41 H41B 110.1 . . ?
C40 C41 H41B 110.1 . . ?
H41A C41 H41B 108.4 . . ?
O5 C42 C43 108.3(4) . . ?
O5 C42 H42A 110.0 . . ?
C43 C42 H42A 110.0 . . ?
O5 C42 H42B 110.0 . . ?
C43 C42 H42B 110.0 . . ?
H42A C42 H42B 108.4 . . ?
O6 C43 C42 109.3(4) . . ?
O6 C43 H43A 109.8 . . ?
C42 C43 H43A 109.8 . . ?
O6 C43 H43B 109.8 . . ?
C42 C43 H43B 109.8 . . ?
H43A C43 H43B 108.3 . . ?
O6 C44 C45 114.1(5) . . ?
O6 C44 H44A 108.7 . . ?
C45 C44 H44A 108.7 . . ?
O6 C44 H44B 108.7 . . ?
C45 C44 H44B 108.7 . . ?
H44A C44 H44B 107.6 . . ?
O7 C45 C44 107.6(5) . . ?
O7 C45 H45A 110.2 . . ?
C44 C45 H45A 110.2 . . ?
O7 C45 H45B 110.2 . . ?
C44 C45 H45B 110.2 . . ?
H45A C45 H45B 108.5 . . ?
O7 C46 C47 110.5(5) . . ?
O7 C46 C47' 110.9(6) . . ?
O7 C46 H46A 109.6 . . ?
C47 C46 H46A 109.6 . . ?
O7 C46 H46B 109.6 . . ?
C47 C46 H46B 109.6 . . ?
H46A C46 H46B 108.1 . . ?
O7 C46 H46C 109.5 . . ?
C47' C46 H46C 109.5 . . ?
O7 C46 H46D 109.5 . . ?
C47' C46 H46D 109.5 . . ?
H46C C46 H46D 108.1 . . ?
O8 C47 C46 107.7(5) . . ?
O8 C47 H47C 110.2 . . ?
C46 C47 H47C 110.2 . . ?
O8 C47 H47D 110.2 . . ?
C46 C47 H47D 110.2 . . ?
H47C C47 H47D 108.5 . . ?
O8' C47' C46 113.3(6) . . ?
O8' C47' H47A 108.9 . . ?
C46 C47' H47A 108.9 . . ?
O8' C47' H47B 108.9 . . ?
C46 C47' H47B 108.9 . . ?
H47A C47' H47B 107.7 . . ?
O8' C48 C49 119.0(6) . . ?
O8 C48 C49 102.0(5) . . ?
O8 C48 H48A 111.4 . . ?
C49 C48 H48A 111.4 . . ?
O8 C48 H48B 111.4 . . ?
C49 C48 H48B 111.4 . . ?
H48A C48 H48B 109.2 . . ?
O8' C48 H48C 107.6 . . ?
C49 C48 H48C 107.6 . . ?
O8' C48 H48D 107.6 . . ?
C49 C48 H48D 107.6 . . ?
H48C C48 H48D 107.0 . . ?
O3 C49 C48 113.8(4) . . ?
O3 C49 H49A 108.8 . . ?
C48 C49 H49A 108.8 . . ?
O3 C49 H49B 108.8 . . ?
C48 C49 H49B 108.8 . . ?
H49A C49 H49B 107.7 . . ?
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 O1 1.906(3) . ?
Ga1 N2 1.910(3) . ?
Ga1 N1 1.912(3) . ?
Ga1 C37 1.995(4) 2_667 ?
O1 C37 1.316(5) . ?
O2 C37 1.225(5) . ?
N1 C1 1.388(5) . ?
N1 C13 1.412(5) . ?
N2 C2 1.403(5) . ?
N2 C25 1.414(5) . ?
C1 C2 1.369(6) . ?
C1 C5 1.460(6) . ?
C2 C3 1.459(5) . ?
C3 C12 1.377(6) . ?
C3 C4 1.411(6) . ?
C4 C9 1.398(6) . ?
C4 C5 1.431(6) . ?
C5 C6 1.366(6) . ?
C6 C7 1.428(6) . ?
C6 H6A 0.9500 . ?
C7 C8 1.369(7) . ?
C7 H7A 0.9500 . ?
C8 C9 1.424(7) . ?
C8 H8A 0.9500 . ?
C9 C10 1.423(7) . ?
C10 C11 1.357(7) . ?
C10 H10A 0.9500 . ?
C11 C12 1.422(6) . ?
C11 H11A 0.9500 . ?
C12 H12A 0.9500 . ?
C13 C14 1.401(6) . ?
C13 C18 1.418(6) . ?
C14 C15 1.385(6) . ?
C14 C19 1.518(6) . ?
C15 C16 1.381(7) . ?
C15 H15A 0.9500 . ?
C16 C17 1.388(7) . ?
C16 H16A 0.9500 . ?
C17 C18 1.390(6) . ?
C17 H17A 0.9500 . ?
C18 C22 1.514(6) . ?
C19 C21 1.516(6) . ?
C19 C20 1.529(7) . ?
C19 H19A 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.520(7) . ?
C22 C24 1.525(6) . ?
C22 H22A 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.404(6) . ?
C25 C30 1.407(6) . ?
C26 C27 1.377(7) . ?
C26 C31 1.526(7) . ?
C27 C28 1.384(7) . ?
C27 H27A 0.9500 . ?
C28 C29 1.368(7) . ?
C28 H28A 0.9500 . ?
C29 C30 1.395(6) . ?
C29 H29A 0.9500 . ?
C30 C34 1.510(6) . ?
C31 C32 1.526(7) . ?
C31 C33 1.528(7) . ?
C31 H31A 1.0000 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.521(6) . ?
C34 C36 1.533(6) . ?
C34 H34A 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
Na1 O7 2.400(4) . ?
Na1 O3 2.425(4) 2_556 ?
Na1 O8 2.435(7) . ?
Na1 O5 2.454(4) . ?
Na1 O4 2.468(4) . ?
Na1 O8' 2.518(11) . ?
Na1 O6 2.713(4) . ?
Na1 O3 2.842(4) . ?
O3 C38 1.430(6) . ?
O3 C49 1.444(5) . ?
O4 C39 1.420(6) . ?
O4 C40 1.436(6) . ?
O5 C42 1.406(6) . ?
O5 C41 1.426(6) . ?
O6 C44 1.415(6) . ?
O6 C43 1.427(6) . ?
O7 C46 1.405(6) . ?
O7 C45 1.437(6) . ?
O8 C47 1.424(5) . ?
O8 C48 1.441(4) . ?
O8' C47' 1.424(5) . ?
O8' C48 1.426(5) . ?
C38 C39 1.473(7) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C41 1.491(8) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.481(8) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.489(8) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 C47 1.506(5) . ?
C46 C47' 1.510(5) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C46 H46C 0.9900 . ?
C46 H46D 0.9900 . ?
C47 H47C 0.9900 . ?
C47 H47D 0.9900 . ?
C47' H47A 0.9900 . ?
C47' H47B 0.9900 . ?
C48 C49 1.486(7) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C48 H48C 0.9900 . ?
C48 H48D 0.9900 . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C47'^b H47A^b O1 0.99 2.51 3.054(10) 114.5 . yes
C48 H48A^a O2 0.99 2.34 3.310(6) 165.0 . yes
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
C13 N1 C1 C2 -159.5(4) . . . . ?
Ga1 N1 C1 C2 3.7(4) . . . . ?
C13 N1 C1 C5 31.0(7) . . . . ?
Ga1 N1 C1 C5 -165.8(4) . . . . ?
N1 C1 C2 N2 0.3(6) . . . . ?
C5 C1 C2 N2 172.1(4) . . . . ?
N1 C1 C2 C3 -172.4(3) . . . . ?
C5 C1 C2 C3 -0.6(5) . . . . ?
C25 N2 C2 C1 164.0(4) . . . . ?
Ga1 N2 C2 C1 -4.1(5) . . . . ?
C25 N2 C2 C3 -25.2(7) . . . . ?
Ga1 N2 C2 C3 166.7(4) . . . . ?
C1 C2 C3 C12 178.3(5) . . . . ?
N2 C2 C3 C12 6.9(9) . . . . ?
C1 C2 C3 C4 0.4(5) . . . . ?
N2 C2 C3 C4 -171.0(4) . . . . ?
C12 C3 C4 C9 -1.3(7) . . . . ?
C2 C3 C4 C9 177.1(4) . . . . ?
C12 C3 C4 C5 -178.4(4) . . . . ?
C2 C3 C4 C5 0.0(5) . . . . ?
C9 C4 C5 C6 1.2(7) . . . . ?
C3 C4 C5 C6 178.3(4) . . . . ?
C9 C4 C5 C1 -177.5(4) . . . . ?
C3 C4 C5 C1 -0.3(5) . . . . ?
C2 C1 C5 C6 -177.6(5) . . . . ?
N1 C1 C5 C6 -7.4(9) . . . . ?
C2 C1 C5 C4 0.6(5) . . . . ?
N1 C1 C5 C4 170.8(4) . . . . ?
C4 C5 C6 C7 -1.5(7) . . . . ?
C1 C5 C6 C7 176.6(5) . . . . ?
C5 C6 C7 C8 0.5(8) . . . . ?
C6 C7 C8 C9 0.9(8) . . . . ?
C3 C4 C9 C10 0.4(7) . . . . ?
C5 C4 C9 C10 177.1(4) . . . . ?
C3 C4 C9 C8 -176.5(4) . . . . ?
C5 C4 C9 C8 0.2(7) . . . . ?
C7 C8 C9 C4 -1.3(7) . . . . ?
C7 C8 C9 C10 -177.7(5) . . . . ?
C4 C9 C10 C11 0.7(7) . . . . ?
C8 C9 C10 C11 177.1(5) . . . . ?
C9 C10 C11 C12 -0.9(8) . . . . ?
C4 C3 C12 C11 1.1(6) . . . . ?
C2 C3 C12 C11 -176.6(5) . . . . ?
C10 C11 C12 C3 -0.1(7) . . . . ?
C1 N1 C13 C14 72.2(5) . . . . ?
Ga1 N1 C13 C14 -87.2(5) . . . . ?
C1 N1 C13 C18 -111.0(5) . . . . ?
Ga1 N1 C13 C18 89.5(5) . . . . ?
N1 C13 C14 C15 178.5(4) . . . . ?
C18 C13 C14 C15 1.8(6) . . . . ?
N1 C13 C14 C19 1.4(6) . . . . ?
C18 C13 C14 C19 -175.3(4) . . . . ?
C13 C14 C15 C16 0.1(7) . . . . ?
C19 C14 C15 C16 177.2(4) . . . . ?
C14 C15 C16 C17 -1.8(7) . . . . ?
C15 C16 C17 C18 1.6(7) . . . . ?
C16 C17 C18 C13 0.3(7) . . . . ?
C16 C17 C18 C22 -178.7(4) . . . . ?
C14 C13 C18 C17 -2.0(6) . . . . ?
N1 C13 C18 C17 -178.7(4) . . . . ?
C14 C13 C18 C22 176.9(4) . . . . ?
N1 C13 C18 C22 0.1(6) . . . . ?
C15 C14 C19 C21 -45.4(6) . . . . ?
C13 C14 C19 C21 131.7(4) . . . . ?
C15 C14 C19 C20 79.4(5) . . . . ?
C13 C14 C19 C20 -103.5(5) . . . . ?
C17 C18 C22 C23 -71.8(5) . . . . ?
C13 C18 C22 C23 109.3(5) . . . . ?
C17 C18 C22 C24 55.3(6) . . . . ?
C13 C18 C22 C24 -123.6(5) . . . . ?
C2 N2 C25 C26 -66.1(5) . . . . ?
Ga1 N2 C25 C26 98.8(5) . . . . ?
C2 N2 C25 C30 113.6(4) . . . . ?
Ga1 N2 C25 C30 -81.4(5) . . . . ?
C30 C25 C26 C27 0.2(7) . . . . ?
N2 C25 C26 C27 180.0(4) . . . . ?
C30 C25 C26 C31 177.4(4) . . . . ?
N2 C25 C26 C31 -2.9(6) . . . . ?
C25 C26 C27 C28 -0.9(8) . . . . ?
C31 C26 C27 C28 -178.2(5) . . . . ?
C26 C27 C28 C29 1.0(8) . . . . ?
C27 C28 C29 C30 -0.4(8) . . . . ?
C28 C29 C30 C25 -0.3(7) . . . . ?
C28 C29 C30 C34 -179.6(4) . . . . ?
C26 C25 C30 C29 0.4(6) . . . . ?
N2 C25 C30 C29 -179.4(4) . . . . ?
C26 C25 C30 C34 179.7(4) . . . . ?
N2 C25 C30 C34 0.0(6) . . . . ?
C27 C26 C31 C32 61.1(6) . . . . ?
C25 C26 C31 C32 -116.0(5) . . . . ?
C27 C26 C31 C33 -64.2(6) . . . . ?
C25 C26 C31 C33 118.6(5) . . . . ?
C29 C30 C34 C35 -55.2(6) . . . . ?
C25 C30 C34 C35 125.4(5) . . . . ?
C29 C30 C34 C36 70.0(6) . . . . ?
C25 C30 C34 C36 -109.3(5) . . . . ?
Ga1 O1 C37 O2 -176.1(3) . . . . ?
Ga1 O1 C37 Ga1 4.3(5) . . . 2_667 ?
C49 O3 C38 C39 -97.6(5) . . . . ?
Na1 O3 C38 C39 135.3(4) 2_556 . . . ?
Na1 O3 C38 C39 19.4(5) . . . . ?
C40 O4 C39 C38 -170.5(4) . . . . ?
Na1 O4 C39 C38 64.1(5) . . . . ?
O3 C38 C39 O4 -53.3(6) . . . . ?
C39 O4 C40 C41 176.4(4) . . . . ?
Na1 O4 C40 C41 -56.0(5) . . . . ?
C42 O5 C41 C40 -177.4(5) . . . . ?
Na1 O5 C41 C40 -34.7(6) . . . . ?
O4 C40 C41 O5 59.6(6) . . . . ?
C41 O5 C42 C43 -171.5(5) . . . . ?
Na1 O5 C42 C43 47.2(5) . . . . ?
C44 O6 C43 C42 164.9(4) . . . . ?
Na1 O6 C43 C42 44.7(5) . . . . ?
O5 C42 C43 O6 -60.4(6) . . . . ?
C43 O6 C44 C45 -75.2(6) . . . . ?
Na1 O6 C44 C45 46.0(5) . . . . ?
C46 O7 C45 C44 -161.9(5) . . . . ?
Na1 O7 C45 C44 28.7(6) . . . . ?
O6 C44 C45 O7 -49.9(6) . . . . ?
C45 O7 C46 C47 -166.3(6) . . . . ?
Na1 O7 C46 C47 3.8(7) . . . . ?
C45 O7 C46 C47' 163.4(7) . . . . ?
Na1 O7 C46 C47' -26.4(8) . . . . ?
C48 O8 C47 C46 -163.1(6) . . . . ?
Na1 O8 C47 C46 58.7(10) . . . . ?
O7 C46 C47 O8 -41.0(10) . . . . ?
C48 O8' C47' C46 -171.5(9) . . . . ?
Na1 O8' C47' C46 -42.4(15) . . . . ?
O7 C46 C47' O8' 46.3(15) . . . . ?
C47' O8' C48 C49 111.5(11) . . . . ?
Na1 O8' C48 C49 -12.2(10) . . . . ?
C47 O8 C48 C49 175.2(8) . . . . ?
Na1 O8 C48 C49 -53.9(7) . . . . ?
C38 O3 C49 C48 73.9(5) . . . . ?
Na1 O3 C49 C48 -161.6(3) 2_556 . . . ?
Na1 O3 C49 C48 -45.1(5) . . . . ?
O8' C48 C49 O3 42.8(8) . . . . ?
O8 C48 C49 O3 63.9(6) . . . . ?
