# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2014

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#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
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#  except for the purpose of generating routine backup copies
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
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#  from this site to visualise CIF-encoded structures and 
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data_n030re

_audit_creation_method           SHELXL-97


# start Validation Reply Form
_vrf_RFACR01_n030re              
;
PROBLEM: The value of the weighted R factor is > 0.35
RESPONSE:
The crystal diffracts poorly with smeared refection profiles and no 
significant reflections past 40 degrees (even with increased exposure 
times). This weak, low resolution data has affected the final quality 
of the refinement and associated statistics; however, the structure 
is clearly defined.
;


# end Validation Reply Form

_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C15 H25 F15 Ga N3 Na P2, N H4'
_chemical_formula_sum            'C15 H29 F15 Ga N4 Na P2'
_chemical_formula_weight         705.07

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'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/C
_symmetry_space_group_name_Hall  '-C 2yc '
_symmetry_Int_Tables_number      15


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

_cell_length_a                   31.23(2)
_cell_length_b                   10.037(5)
_cell_length_c                   18.142(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 116.85(2)
_cell_angle_gamma                90.00
_cell_volume                     5073(6)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3813
_cell_measurement_theta_min      2.8
_cell_measurement_theta_max      27.5

_exptl_crystal_description       Needle
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.846
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2832
_exptl_absorpt_coefficient_mu    1.353
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.585
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   
;
Jacobson, R.A. (1998). REQAB. Private communication to the 
 Rigaku Corporation, Tokyo, Japan. 
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_collimation    'Confocal mirrors, HF VariMax '

_diffrn_source                   'Rotating anode X-ray tube'
_diffrn_source_type              'Rigaku FR-E+ SuperBright'

_diffrn_measurement_device       'Four-circle κ diffractometer'
_diffrn_measurement_device_type  'Rigaku AFC12 '
_diffrn_measurement_method       'Profile data from ω-scans'

_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'

_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0

_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19561
_diffrn_reflns_av_R_equivalents  0.2316
_diffrn_reflns_av_sigmaI/netI    0.2159
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.66
_diffrn_reflns_theta_max         26.00
_reflns_number_total             4978
_reflns_number_gt                1850
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1734P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4978
_refine_ls_number_parameters     346
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2477
_refine_ls_R_factor_gt           0.1185
_refine_ls_wR_factor_ref         0.3601
_refine_ls_wR_factor_gt          0.2736
_refine_ls_goodness_of_fit_ref   0.967
_refine_ls_restrained_S_all      0.967
_refine_ls_shift/su_max          0.000
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ga1 Ga 0.41159(6) 0.69187(15) 0.23926(10) 0.0450(5) Uani 1 1 d . . .
P1 P 0.50422(16) 1.1778(4) 0.3858(3) 0.0565(12) Uani 1 1 d . . .
P2 P 0.67801(14) 0.8171(4) 0.6285(2) 0.0519(11) Uani 1 1 d . . .
Na1 Na 0.5000 0.8768(9) 0.2500 0.061(2) Uani 1 2 d S . .
Na2 Na 0.5000 1.4049(8) 0.2500 0.066(2) Uani 1 2 d S . .
F1 F 0.4287(3) 0.7632(8) 0.1598(5) 0.051(2) Uani 1 1 d . . .
F2 F 0.4588(3) 0.7994(7) 0.3196(5) 0.050(2) Uani 1 1 d . . .
F3 F 0.4530(3) 0.5475(7) 0.2618(5) 0.056(2) Uani 1 1 d . . .
F4 F 0.5222(3) 1.0604(9) 0.3436(5) 0.068(3) Uani 1 1 d . . .
F5 F 0.4636(3) 1.2191(9) 0.2968(5) 0.069(3) Uani 1 1 d . . .
F6 F 0.5399(3) 1.2808(9) 0.3738(5) 0.066(3) Uani 1 1 d . . .
F7 F 0.5454(3) 1.1344(9) 0.4729(6) 0.072(3) Uani 1 1 d . . .
F8 F 0.4692(3) 1.0706(8) 0.3967(6) 0.066(2) Uani 1 1 d . . .
F9 F 0.4868(4) 1.2901(8) 0.4270(6) 0.072(3) Uani 1 1 d . . .
F10 F 0.7142(3) 0.6980(8) 0.6760(5) 0.065(3) Uani 1 1 d . . .
F11 F 0.6589(3) 0.8150(9) 0.6958(5) 0.070(3) Uani 1 1 d . . .
F12 F 0.6367(3) 0.7118(8) 0.5738(5) 0.058(2) Uani 1 1 d . . .
F13 F 0.7195(3) 0.9225(8) 0.6826(5) 0.063(2) Uani 1 1 d . . .
F14 F 0.6417(3) 0.9354(9) 0.5818(6) 0.080(3) Uani 1 1 d . . .
F15 F 0.6983(3) 0.8155(10) 0.5617(5) 0.073(3) Uani 1 1 d . . .
N1 N 0.3548(4) 0.5722(12) 0.1530(7) 0.051(3) Uani 1 1 d . . .
N2 N 0.3571(4) 0.8365(12) 0.2052(8) 0.055(3) Uani 1 1 d . . .
N3 N 0.3862(4) 0.6298(13) 0.3214(7) 0.052(3) Uani 1 1 d . . .
C1 C 0.3751(6) 0.9759(16) 0.2069(9) 0.065(5) Uani 1 1 d . . .
H1A H 0.3993 0.9976 0.2630 0.097 Uiso 1 1 calc R . .
H1B H 0.3482 1.0387 0.1899 0.097 Uiso 1 1 calc R . .
H1C H 0.3894 0.9825 0.1689 0.097 Uiso 1 1 calc R . .
C2 C 0.3344(5) 0.8242(15) 0.2625(10) 0.056(4) Uani 1 1 d . . .
H2A H 0.3264 0.9141 0.2751 0.068 Uiso 1 1 calc R . .
H2B H 0.3041 0.7732 0.2346 0.068 Uiso 1 1 calc R . .
C3 C 0.3662(6) 0.7573(17) 0.3395(10) 0.063(4) Uani 1 1 d . . .
H3A H 0.3483 0.7358 0.3711 0.076 Uiso 1 1 calc R . .
H3B H 0.3930 0.8175 0.3736 0.076 Uiso 1 1 calc R . .
C4 C 0.4255(6) 0.5771(16) 0.3993(9) 0.062(5) Uani 1 1 d . . .
H4A H 0.4370 0.4923 0.3881 0.093 Uiso 1 1 calc R . .
H4B H 0.4134 0.5631 0.4401 0.093 Uiso 1 1 calc R . .
H4C H 0.4520 0.6413 0.4211 0.093 Uiso 1 1 calc R . .
C5 C 0.3467(6) 0.5318(15) 0.2813(10) 0.060(4) Uani 1 1 d . . .
H5A H 0.3153 0.5771 0.2624 0.072 Uiso 1 1 calc R . .
H5B H 0.3490 0.4621 0.3215 0.072 Uiso 1 1 calc R . .
C6 C 0.3500(6) 0.4680(15) 0.2076(10) 0.059(4) Uani 1 1 d . . .
H6A H 0.3781 0.4078 0.2277 0.071 Uiso 1 1 calc R . .
H6B H 0.3209 0.4142 0.1756 0.071 Uiso 1 1 calc R . .
C7 C 0.3101(6) 0.6519(16) 0.1123(9) 0.057(4) Uani 1 1 d . . .
H7A H 0.2890 0.6318 0.1383 0.068 Uiso 1 1 calc R . .
H7B H 0.2929 0.6270 0.0533 0.068 Uiso 1 1 calc R . .
C8 C 0.3213(6) 0.8027(15) 0.1197(8) 0.054(4) Uani 1 1 d . . .
H8A H 0.3341 0.8278 0.0806 0.064 Uiso 1 1 calc R . .
H8B H 0.2915 0.8539 0.1051 0.064 Uiso 1 1 calc R . .
C9 C 0.3674(6) 0.5133(15) 0.0895(9) 0.057(4) Uani 1 1 d . . .
H9A H 0.3691 0.5872 0.0548 0.068 Uiso 1 1 calc R . .
H9B H 0.4001 0.4753 0.1189 0.068 Uiso 1 1 calc R . .
C10 C 0.3360(5) 0.4094(15) 0.0335(9) 0.048(4) Uani 1 1 d . . .
C11 C 0.3407(6) 0.2752(15) 0.0543(10) 0.058(4) Uani 1 1 d . . .
H11A H 0.3636 0.2493 0.1081 0.070 Uiso 1 1 calc R . .
C12 C 0.3131(7) 0.1777(16) -0.0008(11) 0.066(5) Uani 1 1 d . . .
H12A H 0.3189 0.0866 0.0149 0.079 Uiso 1 1 calc R . .
C13 C 0.2781(6) 0.2101(18) -0.0764(11) 0.063(5) Uani 1 1 d . . .
H13A H 0.2589 0.1429 -0.1135 0.076 Uiso 1 1 calc R . .
C14 C 0.2706(6) 0.348(2) -0.0996(11) 0.070(5) Uani 1 1 d . . .
H14A H 0.2459 0.3744 -0.1519 0.084 Uiso 1 1 calc R . .
C15 C 0.3002(6) 0.4415(16) -0.0444(10) 0.056(4) Uani 1 1 d . . .
H15A H 0.2957 0.5325 -0.0605 0.067 Uiso 1 1 calc R . .
N4 N 0.5453(4) 0.8317(11) 0.4599(7) 0.046(3) Uani 1 1 d . . .
H1 H 0.5643 0.9021 0.4843 0.056 Uiso 1 1 d R . .
H2 H 0.5628 0.7578 0.4814 0.056 Uiso 1 1 d R . .
H3 H 0.5372 0.8343 0.4056 0.056 Uiso 1 1 d R . .
H4 H 0.5209 0.8323 0.4735 0.056 Uiso 1 1 d R . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
Ga1 F3 1.861(8) . ?
Ga1 F2 1.876(8) . ?
Ga1 F1 1.891(8) . ?
Ga1 N3 2.075(12) . ?
Ga1 N2 2.106(12) . ?
Ga1 N1 2.129(12) . ?
Ga1 Na1 3.259(6) . ?
P1 F9 1.579(10) . ?
P1 F7 1.583(10) . ?
P1 F5 1.592(10) . ?
P1 F6 1.604(10) . ?
P1 F8 1.608(10) . ?
P1 F4 1.636(10) . ?
P1 Na2 3.314(7) . ?
P2 F11 1.582(10) . ?
P2 F14 1.595(10) . ?
P2 F15 1.602(10) . ?
P2 F10 1.602(9) . ?
P2 F12 1.616(9) . ?
P2 F13 1.616(9) . ?
Na1 F2 2.306(9) 2_655 ?
Na1 F2 2.306(9) . ?
Na1 F1 2.376(9) . ?
Na1 F1 2.376(9) 2_655 ?
Na1 F4 2.386(11) . ?
Na1 F4 2.386(11) 2_655 ?
Na1 Ga1 3.259(6) 2_655 ?
Na1 H3 2.5571 . ?
Na2 F3 2.129(10) 2_665 ?
Na2 F3 2.129(10) 1_565 ?
Na2 F6 2.371(10) 2_655 ?
Na2 F6 2.371(10) . ?
Na2 F5 2.522(11) 2_655 ?
Na2 F5 2.522(11) . ?
Na2 P1 3.314(7) 2_655 ?
F3 Na2 2.129(10) 1_545 ?
N1 C7 1.483(18) . ?
N1 C6 1.493(18) . ?
N1 C9 1.498(18) . ?
N2 C8 1.484(17) . ?
N2 C1 1.503(19) . ?
N2 C2 1.504(19) . ?
N3 C5 1.486(19) . ?
N3 C4 1.489(18) . ?
N3 C3 1.52(2) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.46(2) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.53(2) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.55(2) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.477(19) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C15 1.39(2) . ?
C10 C11 1.39(2) . ?
C11 C12 1.39(2) . ?
C11 H11A 0.9500 . ?
C12 C13 1.35(2) . ?
C12 H12A 0.9500 . ?
C13 C14 1.44(2) . ?
C13 H13A 0.9500 . ?
C14 C15 1.38(2) . ?
C14 H14A 0.9500 . ?
C15 H15A 0.9500 . ?
N4 H1 0.8999 . ?
N4 H2 0.9000 . ?
N4 H3 0.9002 . ?
N4 H4 0.9001 . ?

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
F3 Ga1 F2 93.0(3) . . ?
F3 Ga1 F1 93.1(4) . . ?
F2 Ga1 F1 88.9(3) . . ?
F3 Ga1 N3 93.5(5) . . ?
F2 Ga1 N3 92.1(4) . . ?
F1 Ga1 N3 173.2(4) . . ?
F3 Ga1 N2 172.2(4) . . ?
F2 Ga1 N2 94.5(4) . . ?
F1 Ga1 N2 89.1(4) . . ?
N3 Ga1 N2 84.1(5) . . ?
F3 Ga1 N1 89.3(4) . . ?
F2 Ga1 N1 175.6(4) . . ?
F1 Ga1 N1 94.7(4) . . ?
N3 Ga1 N1 84.1(5) . . ?
N2 Ga1 N1 83.0(5) . . ?
F3 Ga1 Na1 86.8(3) . . ?
F2 Ga1 Na1 43.8(3) . . ?
F1 Ga1 Na1 46.1(2) . . ?
N3 Ga1 Na1 135.8(3) . . ?
N2 Ga1 Na1 100.1(4) . . ?
N1 Ga1 Na1 140.1(3) . . ?
F9 P1 F7 91.2(5) . . ?
F9 P1 F5 90.4(5) . . ?
F7 P1 F5 178.3(6) . . ?
F9 P1 F6 90.7(5) . . ?
F7 P1 F6 90.7(5) . . ?
F5 P1 F6 88.8(5) . . ?
F9 P1 F8 91.2(5) . . ?
F7 P1 F8 89.0(5) . . ?
F5 P1 F8 91.4(5) . . ?
F6 P1 F8 178.1(5) . . ?
F9 P1 F4 179.4(6) . . ?
F7 P1 F4 88.5(5) . . ?
F5 P1 F4 89.9(5) . . ?
F6 P1 F4 89.8(5) . . ?
F8 P1 F4 88.3(5) . . ?
F9 P1 Na2 87.4(4) . . ?
F7 P1 Na2 132.3(4) . . ?
F5 P1 Na2 47.3(4) . . ?
F6 P1 Na2 41.7(3) . . ?
F8 P1 Na2 138.6(4) . . ?
F4 P1 Na2 93.2(4) . . ?
F11 P2 F14 89.7(6) . . ?
F11 P2 F15 178.3(6) . . ?
F14 P2 F15 92.0(6) . . ?
F11 P2 F10 89.8(5) . . ?
F14 P2 F10 179.4(6) . . ?
F15 P2 F10 88.6(5) . . ?
F11 P2 F12 89.5(5) . . ?
F14 P2 F12 88.9(5) . . ?
F15 P2 F12 90.5(5) . . ?
F10 P2 F12 90.9(5) . . ?
F11 P2 F13 91.1(5) . . ?
F14 P2 F13 91.0(5) . . ?
F15 P2 F13 89.0(5) . . ?
F10 P2 F13 89.1(5) . . ?
F12 P2 F13 179.5(6) . . ?
F2 Na1 F2 140.6(6) 2_655 . ?
F2 Na1 F1 92.4(3) 2_655 . ?
F2 Na1 F1 68.6(3) . . ?
F2 Na1 F1 68.6(3) 2_655 2_655 ?
F2 Na1 F1 92.4(3) . 2_655 ?
F1 Na1 F1 122.6(5) . 2_655 ?
F2 Na1 F4 126.5(3) 2_655 . ?
F2 Na1 F4 85.7(3) . . ?
F1 Na1 F4 137.8(3) . . ?
F1 Na1 F4 90.0(3) 2_655 . ?
F2 Na1 F4 85.7(3) 2_655 2_655 ?
F2 Na1 F4 126.5(3) . 2_655 ?
F1 Na1 F4 90.0(3) . 2_655 ?
F1 Na1 F4 137.8(3) 2_655 2_655 ?
F4 Na1 F4 78.9(5) . 2_655 ?
F2 Na1 Ga1 34.3(2) 2_655 2_655 ?
F2 Na1 Ga1 116.2(3) . 2_655 ?
F1 Na1 Ga1 105.8(3) . 2_655 ?
F1 Na1 Ga1 35.0(2) 2_655 2_655 ?
F4 Na1 Ga1 115.6(2) . 2_655 ?
F4 Na1 Ga1 116.6(2) 2_655 2_655 ?
F2 Na1 Ga1 116.2(3) 2_655 . ?
F2 Na1 Ga1 34.3(2) . . ?
F1 Na1 Ga1 35.0(2) . . ?
F1 Na1 Ga1 105.8(3) 2_655 . ?
F4 Na1 Ga1 116.6(2) . . ?
F4 Na1 Ga1 115.6(2) 2_655 . ?
Ga1 Na1 Ga1 110.6(3) 2_655 . ?
F2 Na1 H3 117.4 2_655 . ?
F2 Na1 H3 55.1 . . ?
F1 Na1 H3 119.9 . . ?
F1 Na1 H3 48.8 2_655 . ?
F4 Na1 H3 60.1 . . ?
F4 Na1 H3 139.1 2_655 . ?
Ga1 Na1 H3 83.6 2_655 . ?
Ga1 Na1 H3 85.5 . . ?
F3 Na2 F3 95.5(6) 2_665 1_565 ?
F3 Na2 F6 110.4(3) 2_665 2_655 ?
F3 Na2 F6 111.0(3) 1_565 2_655 ?
F3 Na2 F6 111.0(3) 2_665 . ?
F3 Na2 F6 110.4(3) 1_565 . ?
F6 Na2 F6 116.6(5) 2_655 . ?
F3 Na2 F5 91.6(3) 2_665 2_655 ?
F3 Na2 F5 165.2(3) 1_565 2_655 ?
F6 Na2 F5 54.3(3) 2_655 2_655 ?
F6 Na2 F5 78.9(4) . 2_655 ?
F3 Na2 F5 165.2(3) 2_665 . ?
F3 Na2 F5 91.6(3) 1_565 . ?
F6 Na2 F5 78.9(4) 2_655 . ?
F6 Na2 F5 54.3(3) . . ?
F5 Na2 F5 84.7(5) 2_655 . ?
F3 Na2 P1 100.7(2) 2_665 2_655 ?
F3 Na2 P1 137.7(2) 1_565 2_655 ?
F6 Na2 P1 26.8(2) 2_655 2_655 ?
F6 Na2 P1 99.8(3) . 2_655 ?
F5 Na2 P1 27.6(2) 2_655 2_655 ?
F5 Na2 P1 82.5(3) . 2_655 ?
F3 Na2 P1 137.7(2) 2_665 . ?
F3 Na2 P1 100.7(2) 1_565 . ?
F6 Na2 P1 99.8(3) 2_655 . ?
F6 Na2 P1 26.8(2) . . ?
F5 Na2 P1 82.5(3) 2_655 . ?
F5 Na2 P1 27.6(2) . . ?
P1 Na2 P1 93.1(3) 2_655 . ?
Ga1 F1 Na1 99.0(3) . . ?
Ga1 F2 Na1 101.9(4) . . ?
Ga1 F3 Na2 160.7(5) . 1_545 ?
P1 F4 Na1 147.0(5) . . ?
P1 F5 Na2 105.1(5) . . ?
P1 F6 Na2 111.5(5) . . ?
C7 N1 C6 110.8(12) . . ?
C7 N1 C9 110.2(11) . . ?
C6 N1 C9 112.0(12) . . ?
C7 N1 Ga1 110.2(9) . . ?
C6 N1 Ga1 102.0(8) . . ?
C9 N1 Ga1 111.5(9) . . ?
C8 N2 C1 109.4(11) . . ?
C8 N2 C2 109.6(11) . . ?
C1 N2 C2 110.5(12) . . ?
C8 N2 Ga1 106.0(9) . . ?
C1 N2 Ga1 113.0(9) . . ?
C2 N2 Ga1 108.1(9) . . ?
C5 N3 C4 112.1(12) . . ?
C5 N3 C3 109.4(12) . . ?
C4 N3 C3 109.7(11) . . ?
C5 N3 Ga1 110.4(9) . . ?
C4 N3 Ga1 111.7(10) . . ?
C3 N3 Ga1 103.2(9) . . ?
N2 C1 H1A 109.5 . . ?
N2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
N2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 N2 111.6(12) . . ?
C3 C2 H2A 109.3 . . ?
N2 C2 H2A 109.3 . . ?
C3 C2 H2B 109.3 . . ?
N2 C2 H2B 109.3 . . ?
H2A C2 H2B 108.0 . . ?
C2 C3 N3 110.4(12) . . ?
C2 C3 H3A 109.6 . . ?
N3 C3 H3A 109.6 . . ?
C2 C3 H3B 109.6 . . ?
N3 C3 H3B 109.6 . . ?
H3A C3 H3B 108.1 . . ?
N3 C4 H4A 109.5 . . ?
N3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
N3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N3 C5 C6 109.7(13) . . ?
N3 C5 H5A 109.7 . . ?
C6 C5 H5A 109.7 . . ?
N3 C5 H5B 109.7 . . ?
C6 C5 H5B 109.7 . . ?
H5A C5 H5B 108.2 . . ?
N1 C6 C5 110.7(12) . . ?
N1 C6 H6A 109.5 . . ?
C5 C6 H6A 109.5 . . ?
N1 C6 H6B 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 108.1 . . ?
N1 C7 C8 111.1(12) . . ?
N1 C7 H7A 109.4 . . ?
C8 C7 H7A 109.4 . . ?
N1 C7 H7B 109.4 . . ?
C8 C7 H7B 109.4 . . ?
H7A C7 H7B 108.0 . . ?
N2 C8 C7 110.4(12) . . ?
N2 C8 H8A 109.6 . . ?
C7 C8 H8A 109.6 . . ?
N2 C8 H8B 109.6 . . ?
C7 C8 H8B 109.6 . . ?
H8A C8 H8B 108.1 . . ?
C10 C9 N1 118.9(13) . . ?
C10 C9 H9A 107.6 . . ?
N1 C9 H9A 107.6 . . ?
C10 C9 H9B 107.6 . . ?
N1 C9 H9B 107.6 . . ?
H9A C9 H9B 107.0 . . ?
C15 C10 C11 116.1(14) . . ?
C15 C10 C9 121.1(14) . . ?
C11 C10 C9 122.8(13) . . ?
C12 C11 C10 122.3(15) . . ?
C12 C11 H11A 118.9 . . ?
C10 C11 H11A 118.9 . . ?
C13 C12 C11 121.1(16) . . ?
C13 C12 H12A 119.4 . . ?
C11 C12 H12A 119.4 . . ?
C12 C13 C14 118.6(16) . . ?
C12 C13 H13A 120.7 . . ?
C14 C13 H13A 120.7 . . ?
C15 C14 C13 118.5(16) . . ?
C15 C14 H14A 120.8 . . ?
C13 C14 H14A 120.8 . . ?
C14 C15 C10 123.3(16) . . ?
C14 C15 H15A 118.3 . . ?
C10 C15 H15A 118.3 . . ?
H1 N4 H2 107.3 . . ?
H1 N4 H3 108.1 . . ?
H2 N4 H3 108.2 . . ?
H1 N4 H4 108.1 . . ?
H2 N4 H4 108.1 . . ?
H3 N4 H4 116.6 . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.619
_refine_diff_density_min         -0.606
_refine_diff_density_rms         0.221


_database_code_depnum_ccdc_archive 'CCDC 1008581'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_n013ky

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H50 B2 F14 Ga2 N6 Na2'
_chemical_formula_sum            'C30 H50 B2 F14 Ga2 N6 Na2'
_chemical_formula_weight         967.80

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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/c
_symmetry_space_group_name_Hall  -P2ybc
_symmetry_Int_Tables_number      14

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

_cell_length_a                   10.967(2)
_cell_length_b                   15.793(3)
_cell_length_c                   22.313(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.057(6)
_cell_angle_gamma                90.00
_cell_volume                     3864.8(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    12055
_cell_measurement_theta_min      3.0
_cell_measurement_theta_max      27.5

_exptl_crystal_description       Needle
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.663
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1968
_exptl_absorpt_coefficient_mu    1.517
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.753
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   
;
Jacobson, R. (1998). REQAB. Private communication to the 
Rigaku Corporation, Tokyo, Japan.
;

_exptl_special_details           
;
 ?
;
_diffrn_ambient_temperature      100(2)
_diffrn_source_power             2.475
_diffrn_source_voltage           45.0
_diffrn_source_current           55.0
_diffrn_source                   'Rotating Anode'

_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_collimation    'Confocal mirrors, HF Varimax '

_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'
_diffrn_detector_area_resol_mean 28.5714

_diffrn_measurement_device       'four-circle κ diffractometer'
_diffrn_measurement_device_type  'Rigaku AFC12 (Left)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'

_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            16094
_diffrn_reflns_av_R_equivalents  0.0488
_diffrn_reflns_av_sigmaI/netI    0.0770
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         3.03
_diffrn_reflns_theta_max         27.48
_reflns_number_total             8511
_reflns_number_gt                6123
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       
;
CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)
;
_computing_cell_refinement       
;
CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)
;
_computing_data_reduction        
;
CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP-III (Farrugia, 1997)'
_computing_publication_material  
'PLATON (Spek, 2003), WinGX (Farrugia, 1999) and enCIFer (Allen et al., 2004).'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0000P)²+5.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8511
_refine_ls_number_parameters     509
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0848
_refine_ls_R_factor_gt           0.0524
_refine_ls_wR_factor_ref         0.0983
_refine_ls_wR_factor_gt          0.0898
_refine_ls_goodness_of_fit_ref   1.243
_refine_ls_restrained_S_all      1.243
_refine_ls_shift/su_max          0.001
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ga1 Ga 0.99239(4) 0.42516(3) 0.111789(19) 0.00929(10) Uani 1 1 d . . .
Ga2 Ga 0.50883(4) 0.65974(3) 0.053848(19) 0.00909(10) Uani 1 1 d . . .
Na1 Na 0.61728(13) 0.47136(9) 0.07440(7) 0.0126(3) Uani 1 1 d . . .
Na2 Na 0.88058(13) 0.58885(9) 0.04454(7) 0.0124(3) Uani 1 1 d . . .
F1 F 1.04353(19) 0.53111(14) 0.08816(10) 0.0161(5) Uani 1 1 d . . .
F2 F 1.03463(19) 0.37304(14) 0.04063(10) 0.0144(5) Uani 1 1 d . . .
F3 F 0.83061(18) 0.45274(13) 0.08793(9) 0.0111(5) Uani 1 1 d . . .
F4 F 0.46996(19) 0.63337(14) -0.02463(10) 0.0151(5) Uani 1 1 d . . .
F5 F 0.45667(19) 0.55803(13) 0.08408(10) 0.0143(5) Uani 1 1 d . . .
F6 F 0.66986(19) 0.61644(13) 0.04970(10) 0.0121(5) Uani 1 1 d . . .
F7 F 0.5952(2) 0.41865(17) 0.16762(11) 0.0266(6) Uani 1 1 d . . .
F8 F 0.4677(2) 0.46797(16) 0.23892(12) 0.0278(6) Uani 1 1 d . . .
F9 F 0.4660(2) 0.32798(15) 0.21564(11) 0.0273(6) Uani 1 1 d . . .
F10 F 0.6274(2) 0.38473(15) 0.26555(10) 0.0192(5) Uani 1 1 d . . .
F11 F 0.9071(2) 0.71084(14) 0.09624(11) 0.0208(6) Uani 1 1 d . . .
F12 F 0.8693(2) 0.81479(16) 0.16415(11) 0.0274(6) Uani 1 1 d . . .
F13 F 1.0249(2) 0.82890(16) 0.09755(13) 0.0355(7) Uani 1 1 d . . .
F14 F 1.0389(2) 0.73346(15) 0.17398(11) 0.0239(6) Uani 1 1 d . . .
N1 N 0.9637(3) 0.47016(19) 0.20104(14) 0.0106(7) Uani 1 1 d . . .
N2 N 1.1654(3) 0.3906(2) 0.14679(15) 0.0126(7) Uani 1 1 d . . .
N3 N 0.9377(3) 0.30695(19) 0.15058(14) 0.0089(7) Uani 1 1 d . . .
N4 N 0.5319(3) 0.70812(19) 0.14265(14) 0.0096(7) Uani 1 1 d . . .
N5 N 0.3363(3) 0.7203(2) 0.06240(15) 0.0122(7) Uani 1 1 d . . .
N6 N 0.5675(3) 0.78422(19) 0.02915(14) 0.0104(7) Uani 1 1 d . . .
C1 C 1.0883(3) 0.4964(3) 0.21945(18) 0.0154(9) Uani 1 1 d . . .
H1A H 1.0882 0.5121 0.2624 0.019 Uiso 1 1 calc R . .
H1B H 1.1136 0.5466 0.1960 0.019 Uiso 1 1 calc R . .
C2 C 1.1782(3) 0.4248(3) 0.20913(18) 0.0156(9) Uani 1 1 d . . .
H2A H 1.2623 0.4458 0.2152 0.019 Uiso 1 1 calc R . .
H2B H 1.1630 0.3790 0.2385 0.019 Uiso 1 1 calc R . .
C3 C 1.1639(3) 0.2959(2) 0.14530(19) 0.0145(9) Uani 1 1 d . . .
H3A H 1.2352 0.2738 0.1677 0.017 Uiso 1 1 calc R . .
H3B H 1.1705 0.2763 0.1033 0.017 Uiso 1 1 calc R . .
C4 C 1.0478(3) 0.2612(2) 0.17277(19) 0.0136(9) Uani 1 1 d . . .
H4A H 1.0404 0.2003 0.1629 0.016 Uiso 1 1 calc R . .
H4B H 1.0524 0.2664 0.2169 0.016 Uiso 1 1 calc R . .
C5 C 0.8562(3) 0.3323(3) 0.20093(18) 0.0154(9) Uani 1 1 d . . .
H5A H 0.8390 0.2823 0.2264 0.018 Uiso 1 1 calc R . .
H5B H 0.7778 0.3532 0.1846 0.018 Uiso 1 1 calc R . .
C6 C 0.9146(4) 0.4006(2) 0.23841(17) 0.0123(8) Uani 1 1 d . . .
H6A H 0.8535 0.4238 0.2666 0.015 Uiso 1 1 calc R . .
H6B H 0.9816 0.3757 0.2624 0.015 Uiso 1 1 calc R . .
C7 C 0.8806(3) 0.5435(2) 0.2036(2) 0.0174(9) Uani 1 1 d . . .
H7A H 0.7986 0.5260 0.1913 0.026 Uiso 1 1 calc R . .
H7B H 0.9101 0.5879 0.1765 0.026 Uiso 1 1 calc R . .
H7C H 0.8779 0.5655 0.2447 0.026 Uiso 1 1 calc R . .
C8 C 1.2672(3) 0.4218(3) 0.10911(18) 0.0150(9) Uani 1 1 d . . .
H8A H 1.3439 0.3969 0.1231 0.023 Uiso 1 1 calc R . .
H8B H 1.2719 0.4836 0.1120 0.023 Uiso 1 1 calc R . .
H8C H 1.2530 0.4054 0.0673 0.023 Uiso 1 1 calc R . .
C9 C 0.8688(4) 0.2589(2) 0.10329(17) 0.0131(8) Uani 1 1 d . . .
H9A H 0.9244 0.2488 0.0691 0.016 Uiso 1 1 calc R . .
H9B H 0.8014 0.2952 0.0887 0.016 Uiso 1 1 calc R . .
C10 C 0.8160(4) 0.1752(2) 0.12226(18) 0.0137(9) Uani 1 1 d . . .
C11 C 0.7082(4) 0.1703(3) 0.15568(19) 0.0173(9) Uani 1 1 d . . .
H11 H 0.6662 0.2207 0.1664 0.021 Uiso 1 1 calc R . .
C12 C 0.6621(4) 0.0923(3) 0.17331(19) 0.0186(10) Uani 1 1 d . . .
H12 H 0.5906 0.0896 0.1973 0.022 Uiso 1 1 calc R . .
C13 C 0.7202(4) 0.0184(3) 0.15596(19) 0.0194(10) Uani 1 1 d . . .
H13 H 0.6881 -0.0349 0.1678 0.023 Uiso 1 1 calc R . .
C14 C 0.8249(4) 0.0219(3) 0.1215(2) 0.0217(10) Uani 1 1 d . . .
H14 H 0.8641 -0.0288 0.1092 0.026 Uiso 1 1 calc R . .
C15 C 0.8722(4) 0.0999(3) 0.10492(19) 0.0182(9) Uani 1 1 d . . .
H15 H 0.9443 0.1021 0.0814 0.022 Uiso 1 1 calc R . .
C16 C 0.4058(3) 0.7069(2) 0.16686(17) 0.0117(8) Uani 1 1 d . . .
H16A H 0.4043 0.7347 0.2066 0.014 Uiso 1 1 calc R . .
H16B H 0.3783 0.6476 0.1719 0.014 Uiso 1 1 calc R . .
C17 C 0.3203(3) 0.7531(2) 0.12417(17) 0.0134(9) Uani 1 1 d . . .
H17A H 0.2348 0.7447 0.1371 0.016 Uiso 1 1 calc R . .
H17B H 0.3380 0.8146 0.1250 0.016 Uiso 1 1 calc R . .
C18 C 0.3418(3) 0.7889(2) 0.01734(18) 0.0125(8) Uani 1 1 d . . .
H18A H 0.2706 0.8267 0.0226 0.015 Uiso 1 1 calc R . .
H18B H 0.3370 0.7640 -0.0233 0.015 Uiso 1 1 calc R . .
C19 C 0.4578(3) 0.8405(2) 0.02265(18) 0.0125(8) Uani 1 1 d . . .
H19A H 0.4672 0.8763 -0.0135 0.015 Uiso 1 1 calc R . .
H19B H 0.4520 0.8783 0.0579 0.015 Uiso 1 1 calc R . .
C20 C 0.6453(3) 0.8114(2) 0.08037(17) 0.0111(8) Uani 1 1 d . . .
H20A H 0.6641 0.8725 0.0764 0.013 Uiso 1 1 calc R . .
H20B H 0.7233 0.7799 0.0793 0.013 Uiso 1 1 calc R . .
C21 C 0.5831(3) 0.7960(2) 0.13980(16) 0.0102(8) Uani 1 1 d . . .
H21A H 0.6425 0.8040 0.1727 0.012 Uiso 1 1 calc R . .
H21B H 0.5165 0.8376 0.1452 0.012 Uiso 1 1 calc R . .
C22 C 0.6123(4) 0.6540(2) 0.18053(18) 0.0156(9) Uani 1 1 d . . .
H22A H 0.6132 0.6759 0.2216 0.023 Uiso 1 1 calc R . .
H22B H 0.6953 0.6547 0.1643 0.023 Uiso 1 1 calc R . .
H22C H 0.5813 0.5958 0.1806 0.023 Uiso 1 1 calc R . .
C23 C 0.2326(3) 0.6623(3) 0.04743(18) 0.0148(9) Uani 1 1 d . . .
H23A H 0.2244 0.6194 0.0789 0.022 Uiso 1 1 calc R . .
H23B H 0.2485 0.6344 0.0090 0.022 Uiso 1 1 calc R . .
H23C H 0.1569 0.6951 0.0446 0.022 Uiso 1 1 calc R . .
C24 C 0.6400(4) 0.7792(2) -0.02752(17) 0.0110(8) Uani 1 1 d . . .
H24A H 0.5881 0.7530 -0.0587 0.013 Uiso 1 1 calc R . .
H24B H 0.7097 0.7405 -0.0205 0.013 Uiso 1 1 calc R . .
C25 C 0.6892(4) 0.8612(2) -0.05194(18) 0.0133(9) Uani 1 1 d . . .
C26 C 0.6342(4) 0.8970(3) -0.10182(19) 0.0202(10) Uani 1 1 d . . .
H26 H 0.5656 0.8696 -0.1191 0.024 Uiso 1 1 calc R . .
C27 C 0.6764(4) 0.9718(3) -0.1273(2) 0.0282(11) Uani 1 1 d . . .
H27 H 0.6369 0.9951 -0.1614 0.034 Uiso 1 1 calc R . .
C28 C 0.7768(4) 1.0121(3) -0.1025(2) 0.0225(10) Uani 1 1 d . . .
H28 H 0.8067 1.0632 -0.1194 0.027 Uiso 1 1 calc R . .
C29 C 0.8340(4) 0.9767(3) -0.05204(19) 0.0186(9) Uani 1 1 d . . .
H29 H 0.9019 1.0044 -0.0342 0.022 Uiso 1 1 calc R . .
C30 C 0.7912(4) 0.9013(3) -0.02843(18) 0.0157(9) Uani 1 1 d . . .
H30 H 0.8326 0.8765 0.0046 0.019 Uiso 1 1 calc R . .
B1 B 0.5377(4) 0.3996(3) 0.2219(2) 0.0127(9) Uani 1 1 d . . .
B2 B 0.9617(4) 0.7726(3) 0.1333(2) 0.0165(10) Uani 1 1 d . . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
Ga1 F1 1.842(2) . ?
Ga1 F2 1.848(2) . ?
Ga1 F3 1.902(2) . ?
Ga1 N2 2.122(3) . ?
Ga1 N1 2.138(3) . ?
Ga1 N3 2.144(3) . ?
Ga1 Na2 3.2304(16) . ?
Ga2 F5 1.834(2) . ?
Ga2 F4 1.849(2) . ?
Ga2 F6 1.896(2) . ?
Ga2 N5 2.129(3) . ?
Ga2 N4 2.138(3) . ?
Ga2 N6 2.141(3) . ?
Ga2 Na1 3.2367(16) . ?
Na1 F4 2.210(3) 3_665 ?
Na1 F5 2.241(3) . ?
Na1 F7 2.254(3) . ?
Na1 F3 2.377(2) . ?
Na1 F6 2.426(3) . ?
Na1 Na2 3.497(2) . ?
Na2 F2 2.200(3) 3_765 ?
Na2 F1 2.229(2) . ?
Na2 F11 2.264(3) . ?
Na2 F6 2.355(3) . ?
Na2 F3 2.421(3) . ?
F2 Na2 2.200(3) 3_765 ?
F4 Na1 2.210(3) 3_665 ?
F7 B1 1.399(5) . ?
F8 B1 1.378(5) . ?
F9 B1 1.385(5) . ?
F10 B1 1.403(5) . ?
F11 B2 1.412(5) . ?
F12 B2 1.394(5) . ?
F13 B2 1.381(6) . ?
F14 B2 1.386(5) . ?
N1 C7 1.475(5) . ?
N1 C6 1.481(5) . ?
N1 C1 1.486(5) . ?
N2 C8 1.482(5) . ?
N2 C3 1.497(5) . ?
N2 C2 1.498(5) . ?
N3 C5 1.490(5) . ?
N3 C4 1.492(5) . ?
N3 C9 1.503(5) . ?
N4 C16 1.485(5) . ?
N4 C22 1.491(5) . ?
N4 C21 1.499(5) . ?
N5 C18 1.480(5) . ?
N5 C17 1.483(5) . ?
N5 C23 1.499(5) . ?
N6 C20 1.489(5) . ?
N6 C24 1.497(5) . ?
N6 C19 1.503(5) . ?
C1 C2 1.518(5) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.516(5) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.508(5) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.504(5) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C15 1.394(5) . ?
C10 C11 1.401(6) . ?
C11 C12 1.388(5) . ?
C11 H11 0.9500 . ?
C12 C13 1.385(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.384(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.387(6) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C17 1.522(5) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.515(5) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.512(5) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.506(5) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.386(5) . ?
C25 C30 1.388(5) . ?
C26 C27 1.390(6) . ?
C26 H26 0.9500 . ?
C27 C28 1.387(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.404(6) . ?
C28 H28 0.9500 . ?
C29 C30 1.384(5) . ?
C29 H29 0.9500 . ?
C30 H30 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
F1 Ga1 F2 94.71(10) . . ?
F1 Ga1 F3 89.77(9) . . ?
F2 Ga1 F3 95.51(9) . . ?
F1 Ga1 N2 93.80(11) . . ?
F2 Ga1 N2 88.68(11) . . ?
F3 Ga1 N2 174.25(11) . . ?
F1 Ga1 N1 90.56(11) . . ?
F2 Ga1 N1 170.29(11) . . ?
F3 Ga1 N1 92.66(11) . . ?
N2 Ga1 N1 82.82(12) . . ?
F1 Ga1 N3 172.79(11) . . ?
F2 Ga1 N3 91.69(11) . . ?
F3 Ga1 N3 92.92(10) . . ?
N2 Ga1 N3 83.01(12) . . ?
N1 Ga1 N3 82.64(12) . . ?
F1 Ga1 Na2 41.89(7) . . ?
F2 Ga1 Na2 93.02(7) . . ?
F3 Ga1 Na2 48.19(7) . . ?
N2 Ga1 Na2 135.67(9) . . ?
N1 Ga1 Na2 96.34(9) . . ?
N3 Ga1 Na2 141.10(8) . . ?
F5 Ga2 F4 94.55(10) . . ?
F5 Ga2 F6 89.59(9) . . ?
F4 Ga2 F6 94.96(9) . . ?
F5 Ga2 N5 94.76(11) . . ?
F4 Ga2 N5 88.97(11) . . ?
F6 Ga2 N5 173.89(11) . . ?
F5 Ga2 N4 90.50(11) . . ?
F4 Ga2 N4 169.99(11) . . ?
F6 Ga2 N4 93.72(11) . . ?
N5 Ga2 N4 81.99(12) . . ?
F5 Ga2 N6 173.19(11) . . ?
F4 Ga2 N6 91.84(11) . . ?
F6 Ga2 N6 92.21(11) . . ?
N5 Ga2 N6 82.98(12) . . ?
N4 Ga2 N6 82.83(12) . . ?
F5 Ga2 Na1 42.05(7) . . ?
F4 Ga2 Na1 90.66(7) . . ?
F6 Ga2 Na1 48.18(7) . . ?
N5 Ga2 Na1 136.62(9) . . ?
N4 Ga2 Na1 98.86(9) . . ?
N6 Ga2 Na1 140.37(9) . . ?
F4 Na1 F5 99.53(10) 3_665 . ?
F4 Na1 F7 98.07(11) 3_665 . ?
F5 Na1 F7 92.95(10) . . ?
F4 Na1 F3 113.38(10) 3_665 . ?
F5 Na1 F3 146.81(10) . . ?
F7 Na1 F3 86.78(9) . . ?
F4 Na1 F6 134.08(10) 3_665 . ?
F5 Na1 F6 68.42(8) . . ?
F7 Na1 F6 125.75(11) . . ?
F3 Na1 F6 84.92(8) . . ?
F4 Na1 Ga2 117.26(8) 3_665 . ?
F5 Na1 Ga2 33.23(6) . . ?
F7 Na1 Ga2 115.50(9) . . ?
F3 Na1 Ga2 119.55(7) . . ?
F6 Na1 Ga2 35.62(5) . . ?
F4 Na1 Na2 131.20(9) 3_665 . ?
F5 Na1 Na2 110.09(8) . . ?
F7 Na1 Na2 117.48(8) . . ?
F3 Na1 Na2 43.70(6) . . ?
F6 Na1 Na2 42.20(6) . . ?
Ga2 Na1 Na2 77.80(4) . . ?
F2 Na2 F1 98.61(10) 3_765 . ?
F2 Na2 F11 98.80(10) 3_765 . ?
F1 Na2 F11 91.32(9) . . ?
F2 Na2 F6 114.03(10) 3_765 . ?
F1 Na2 F6 147.22(11) . . ?
F11 Na2 F6 86.75(9) . . ?
F2 Na2 F3 133.19(10) 3_765 . ?
F1 Na2 F3 69.13(8) . . ?
F11 Na2 F3 125.51(11) . . ?
F6 Na2 F3 85.54(9) . . ?
F2 Na2 Ga1 117.36(8) 3_765 . ?
F1 Na2 Ga1 33.49(6) . . ?
F11 Na2 Ga1 113.31(8) . . ?
F6 Na2 Ga1 119.84(8) . . ?
F3 Na2 Ga1 35.86(5) . . ?
F2 Na2 Na1 131.26(8) 3_765 . ?
F1 Na2 Na1 111.19(8) . . ?
F11 Na2 Na1 117.40(9) . . ?
F6 Na2 Na1 43.80(6) . . ?
F3 Na2 Na1 42.72(6) . . ?
Ga1 Na2 Na1 78.46(4) . . ?
Ga1 F1 Na2 104.62(10) . . ?
Ga1 F2 Na2 136.61(12) . 3_765 ?
Ga1 F3 Na1 168.94(12) . . ?
Ga1 F3 Na2 95.96(9) . . ?
Na1 F3 Na2 93.59(8) . . ?
Ga2 F4 Na1 138.05(13) . 3_665 ?
Ga2 F5 Na1 104.72(11) . . ?
Ga2 F6 Na2 169.52(12) . . ?
Ga2 F6 Na1 96.19(9) . . ?
Na2 F6 Na1 94.01(9) . . ?
B1 F7 Na1 158.1(2) . . ?
B2 F11 Na2 160.2(2) . . ?
C7 N1 C6 109.6(3) . . ?
C7 N1 C1 109.8(3) . . ?
C6 N1 C1 112.7(3) . . ?
C7 N1 Ga1 112.9(2) . . ?
C6 N1 Ga1 109.4(2) . . ?
C1 N1 Ga1 102.3(2) . . ?
C8 N2 C3 109.1(3) . . ?
C8 N2 C2 109.7(3) . . ?
C3 N2 C2 112.4(3) . . ?
C8 N2 Ga1 112.3(2) . . ?
C3 N2 Ga1 103.8(2) . . ?
C2 N2 Ga1 109.4(2) . . ?
C5 N3 C4 111.4(3) . . ?
C5 N3 C9 111.3(3) . . ?
C4 N3 C9 113.2(3) . . ?
C5 N3 Ga1 103.8(2) . . ?
C4 N3 Ga1 109.2(2) . . ?
C9 N3 Ga1 107.3(2) . . ?
C16 N4 C22 109.7(3) . . ?
C16 N4 C21 112.1(3) . . ?
C22 N4 C21 109.5(3) . . ?
C16 N4 Ga2 102.9(2) . . ?
C22 N4 Ga2 112.9(2) . . ?
C21 N4 Ga2 109.6(2) . . ?
C18 N5 C17 112.4(3) . . ?
C18 N5 C23 109.1(3) . . ?
C17 N5 C23 109.3(3) . . ?
C18 N5 Ga2 103.4(2) . . ?
C17 N5 Ga2 110.3(2) . . ?
C23 N5 Ga2 112.3(2) . . ?
C20 N6 C24 111.0(3) . . ?
C20 N6 C19 111.2(3) . . ?
C24 N6 C19 112.1(3) . . ?
C20 N6 Ga2 103.9(2) . . ?
C24 N6 Ga2 109.2(2) . . ?
C19 N6 Ga2 109.1(2) . . ?
N1 C1 C2 110.3(3) . . ?
N1 C1 H1A 109.6 . . ?
C2 C1 H1A 109.6 . . ?
N1 C1 H1B 109.6 . . ?
C2 C1 H1B 109.6 . . ?
H1A C1 H1B 108.1 . . ?
N2 C2 C1 110.4(3) . . ?
N2 C2 H2A 109.6 . . ?
C1 C2 H2A 109.6 . . ?
N2 C2 H2B 109.6 . . ?
C1 C2 H2B 109.6 . . ?
H2A C2 H2B 108.1 . . ?
N2 C3 C4 111.2(3) . . ?
N2 C3 H3A 109.4 . . ?
C4 C3 H3A 109.4 . . ?
N2 C3 H3B 109.4 . . ?
C4 C3 H3B 109.4 . . ?
H3A C3 H3B 108.0 . . ?
N3 C4 C3 111.8(3) . . ?
N3 C4 H4A 109.3 . . ?
C3 C4 H4A 109.3 . . ?
N3 C4 H4B 109.3 . . ?
C3 C4 H4B 109.3 . . ?
H4A C4 H4B 107.9 . . ?
N3 C5 C6 110.8(3) . . ?
N3 C5 H5A 109.5 . . ?
C6 C5 H5A 109.5 . . ?
N3 C5 H5B 109.5 . . ?
C6 C5 H5B 109.5 . . ?
H5A C5 H5B 108.1 . . ?
N1 C6 C5 111.9(3) . . ?
N1 C6 H6A 109.2 . . ?
C5 C6 H6A 109.2 . . ?
N1 C6 H6B 109.2 . . ?
C5 C6 H6B 109.2 . . ?
H6A C6 H6B 107.9 . . ?
N1 C7 H7A 109.5 . . ?
N1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
N1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N2 C8 H8A 109.5 . . ?
N2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N3 C9 C10 116.1(3) . . ?
N3 C9 H9A 108.3 . . ?
C10 C9 H9A 108.3 . . ?
N3 C9 H9B 108.3 . . ?
C10 C9 H9B 108.3 . . ?
H9A C9 H9B 107.4 . . ?
C15 C10 C11 118.3(4) . . ?
C15 C10 C9 120.0(4) . . ?
C11 C10 C9 121.6(4) . . ?
C12 C11 C10 120.5(4) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C13 C12 C11 120.0(4) . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C14 C13 C12 120.3(4) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C13 C14 C15 119.6(4) . . ?
C13 C14 H14 120.2 . . ?
C15 C14 H14 120.2 . . ?
C14 C15 C10 121.2(4) . . ?
C14 C15 H15 119.4 . . ?
C10 C15 H15 119.4 . . ?
N4 C16 C17 109.8(3) . . ?
N4 C16 H16A 109.7 . . ?
C17 C16 H16A 109.7 . . ?
N4 C16 H16B 109.7 . . ?
C17 C16 H16B 109.7 . . ?
H16A C16 H16B 108.2 . . ?
N5 C17 C16 109.9(3) . . ?
N5 C17 H17A 109.7 . . ?
C16 C17 H17A 109.7 . . ?
N5 C17 H17B 109.7 . . ?
C16 C17 H17B 109.7 . . ?
H17A C17 H17B 108.2 . . ?
N5 C18 C19 112.0(3) . . ?
N5 C18 H18A 109.2 . . ?
C19 C18 H18A 109.2 . . ?
N5 C18 H18B 109.2 . . ?
C19 C18 H18B 109.2 . . ?
H18A C18 H18B 107.9 . . ?
N6 C19 C18 111.2(3) . . ?
N6 C19 H19A 109.4 . . ?
C18 C19 H19A 109.4 . . ?
N6 C19 H19B 109.4 . . ?
C18 C19 H19B 109.4 . . ?
H19A C19 H19B 108.0 . . ?
N6 C20 C21 111.6(3) . . ?
N6 C20 H20A 109.3 . . ?
C21 C20 H20A 109.3 . . ?
N6 C20 H20B 109.3 . . ?
C21 C20 H20B 109.3 . . ?
H20A C20 H20B 108.0 . . ?
N4 C21 C20 110.9(3) . . ?
N4 C21 H21A 109.5 . . ?
C20 C21 H21A 109.5 . . ?
N4 C21 H21B 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 108.1 . . ?
N4 C22 H22A 109.5 . . ?
N4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N5 C23 H23A 109.5 . . ?
N5 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N5 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N6 C24 C25 116.8(3) . . ?
N6 C24 H24A 108.1 . . ?
C25 C24 H24A 108.1 . . ?
N6 C24 H24B 108.1 . . ?
C25 C24 H24B 108.1 . . ?
H24A C24 H24B 107.3 . . ?
C26 C25 C30 117.9(4) . . ?
C26 C25 C24 119.0(4) . . ?
C30 C25 C24 123.0(4) . . ?
C25 C26 C27 122.0(4) . . ?
C25 C26 H26 119.0 . . ?
C27 C26 H26 119.0 . . ?
C28 C27 C26 119.4(4) . . ?
C28 C27 H27 120.3 . . ?
C26 C27 H27 120.3 . . ?
C27 C28 C29 119.5(4) . . ?
C27 C28 H28 120.3 . . ?
C29 C28 H28 120.3 . . ?
C30 C29 C28 119.7(4) . . ?
C30 C29 H29 120.1 . . ?
C28 C29 H29 120.1 . . ?
C29 C30 C25 121.5(4) . . ?
C29 C30 H30 119.3 . . ?
C25 C30 H30 119.3 . . ?
F8 B1 F9 110.6(3) . . ?
F8 B1 F7 108.8(3) . . ?
F9 B1 F7 110.2(3) . . ?
F8 B1 F10 109.3(3) . . ?
F9 B1 F10 109.3(3) . . ?
F7 B1 F10 108.7(3) . . ?
F13 B2 F14 111.0(3) . . ?
F13 B2 F12 110.1(4) . . ?
F14 B2 F12 109.5(4) . . ?
F13 B2 F11 108.6(4) . . ?
F14 B2 F11 109.5(4) . . ?
F12 B2 F11 108.1(3) . . ?

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
F5 Ga2 Na1 F4 63.49(13) . . . 3_665 ?
F4 Ga2 Na1 F4 -32.58(14) . . . 3_665 ?
F6 Ga2 Na1 F4 -128.64(13) . . . 3_665 ?
N5 Ga2 Na1 F4 56.62(17) . . . 3_665 ?
N4 Ga2 Na1 F4 144.31(12) . . . 3_665 ?
N6 Ga2 Na1 F4 -126.26(16) . . . 3_665 ?
F4 Ga2 Na1 F5 -96.07(13) . . . . ?
F6 Ga2 Na1 F5 167.86(14) . . . . ?
N5 Ga2 Na1 F5 -6.87(17) . . . . ?
N4 Ga2 Na1 F5 80.81(14) . . . . ?
N6 Ga2 Na1 F5 170.25(17) . . . . ?
F5 Ga2 Na1 F7 -51.39(13) . . . . ?
F4 Ga2 Na1 F7 -147.46(11) . . . . ?
F6 Ga2 Na1 F7 116.47(13) . . . . ?
N5 Ga2 Na1 F7 -58.26(16) . . . . ?
N4 Ga2 Na1 F7 29.42(12) . . . . ?
N6 Ga2 Na1 F7 118.86(16) . . . . ?
F5 Ga2 Na1 F3 -152.87(14) . . . . ?
F4 Ga2 Na1 F3 111.06(11) . . . . ?
F6 Ga2 Na1 F3 15.00(11) . . . . ?
N5 Ga2 Na1 F3 -159.74(14) . . . . ?
N4 Ga2 Na1 F3 -72.05(12) . . . . ?
N6 Ga2 Na1 F3 17.39(17) . . . . ?
F5 Ga2 Na1 F6 -167.86(14) . . . . ?
F4 Ga2 Na1 F6 96.07(11) . . . . ?
N5 Ga2 Na1 F6 -174.74(16) . . . . ?
N4 Ga2 Na1 F6 -87.05(12) . . . . ?
N6 Ga2 Na1 F6 2.39(17) . . . . ?
F5 Ga2 Na1 Na2 -166.22(11) . . . . ?
F4 Ga2 Na1 Na2 97.71(8) . . . . ?
F6 Ga2 Na1 Na2 1.64(9) . . . . ?
N5 Ga2 Na1 Na2 -173.09(13) . . . . ?
N4 Ga2 Na1 Na2 -85.41(9) . . . . ?
N6 Ga2 Na1 Na2 4.03(15) . . . . ?
F1 Ga1 Na2 F2 61.54(14) . . . 3_765 ?
F2 Ga1 Na2 F2 -32.15(13) . . . 3_765 ?
F3 Ga1 Na2 F2 -126.84(13) . . . 3_765 ?
N2 Ga1 Na2 F2 59.06(16) . . . 3_765 ?
N1 Ga1 Na2 F2 145.26(12) . . . 3_765 ?
N3 Ga1 Na2 F2 -128.61(15) . . . 3_765 ?
F2 Ga1 Na2 F1 -93.68(13) . . . . ?
F3 Ga1 Na2 F1 171.62(15) . . . . ?
N2 Ga1 Na2 F1 -2.48(18) . . . . ?
N1 Ga1 Na2 F1 83.73(14) . . . . ?
N3 Ga1 Na2 F1 169.85(18) . . . . ?
F1 Ga1 Na2 F11 -52.70(14) . . . . ?
F2 Ga1 Na2 F11 -146.39(11) . . . . ?
F3 Ga1 Na2 F11 118.92(13) . . . . ?
N2 Ga1 Na2 F11 -55.18(17) . . . . ?
N1 Ga1 Na2 F11 31.02(12) . . . . ?
N3 Ga1 Na2 F11 117.15(16) . . . . ?
F1 Ga1 Na2 F6 -152.84(15) . . . . ?
F2 Ga1 Na2 F6 113.48(11) . . . . ?
F3 Ga1 Na2 F6 18.78(11) . . . . ?
N2 Ga1 Na2 F6 -155.31(15) . . . . ?
N1 Ga1 Na2 F6 -69.11(12) . . . . ?
N3 Ga1 Na2 F6 17.02(17) . . . . ?
F1 Ga1 Na2 F3 -171.62(15) . . . . ?
F2 Ga1 Na2 F3 94.70(11) . . . . ?
N2 Ga1 Na2 F3 -174.10(16) . . . . ?
N1 Ga1 Na2 F3 -87.89(12) . . . . ?
N3 Ga1 Na2 F3 -1.77(17) . . . . ?
F1 Ga1 Na2 Na1 -167.75(12) . . . . ?
F2 Ga1 Na2 Na1 98.56(8) . . . . ?
F3 Ga1 Na2 Na1 3.87(9) . . . . ?
N2 Ga1 Na2 Na1 -170.23(14) . . . . ?
N1 Ga1 Na2 Na1 -84.03(9) . . . . ?
N3 Ga1 Na2 Na1 2.10(15) . . . . ?
F4 Na1 Na2 F2 31.85(17) 3_665 . . 3_765 ?
F5 Na1 Na2 F2 -91.83(13) . . . 3_765 ?
F7 Na1 Na2 F2 163.58(13) . . . 3_765 ?
F3 Na1 Na2 F2 113.07(14) . . . 3_765 ?
F6 Na1 Na2 F2 -82.41(13) . . . 3_765 ?
Ga2 Na1 Na2 F2 -83.84(11) . . . 3_765 ?
F4 Na1 Na2 F1 -91.77(13) 3_665 . . . ?
F5 Na1 Na2 F1 144.55(11) . . . . ?
F7 Na1 Na2 F1 39.96(13) . . . . ?
F3 Na1 Na2 F1 -10.55(11) . . . . ?
F6 Na1 Na2 F1 153.97(13) . . . . ?
Ga2 Na1 Na2 F1 152.54(9) . . . . ?
F4 Na1 Na2 F11 165.00(12) 3_665 . . . ?
F5 Na1 Na2 F11 41.33(12) . . . . ?
F7 Na1 Na2 F11 -63.26(13) . . . . ?
F3 Na1 Na2 F11 -113.77(12) . . . . ?
F6 Na1 Na2 F11 50.74(11) . . . . ?
Ga2 Na1 Na2 F11 49.32(9) . . . . ?
F4 Na1 Na2 F6 114.26(14) 3_665 . . . ?
F5 Na1 Na2 F6 -9.41(10) . . . . ?
F7 Na1 Na2 F6 -114.00(13) . . . . ?
F3 Na1 Na2 F6 -164.52(13) . . . . ?
Ga2 Na1 Na2 F6 -1.43(8) . . . . ?
F4 Na1 Na2 F3 -81.22(13) 3_665 . . . ?
F5 Na1 Na2 F3 155.10(12) . . . . ?
F7 Na1 Na2 F3 50.51(12) . . . . ?
F6 Na1 Na2 F3 164.52(13) . . . . ?
Ga2 Na1 Na2 F3 163.09(9) . . . . ?
F4 Na1 Na2 Ga1 -84.56(11) 3_665 . . . ?
F5 Na1 Na2 Ga1 151.76(8) . . . . ?
F7 Na1 Na2 Ga1 47.17(10) . . . . ?
F3 Na1 Na2 Ga1 -3.34(8) . . . . ?
F6 Na1 Na2 Ga1 161.18(9) . . . . ?
Ga2 Na1 Na2 Ga1 159.75(4) . . . . ?
F2 Ga1 F1 Na2 89.28(11) . . . . ?
F3 Ga1 F1 Na2 -6.23(11) . . . . ?
N2 Ga1 F1 Na2 178.27(13) . . . . ?
N1 Ga1 F1 Na2 -98.89(12) . . . . ?
F2 Na2 F1 Ga1 -127.84(11) 3_765 . . . ?
F11 Na2 F1 Ga1 133.05(12) . . . . ?
F6 Na2 F1 Ga1 47.0(2) . . . . ?
F3 Na2 F1 Ga1 5.24(10) . . . . ?
Na1 Na2 F1 Ga1 12.88(13) . . . . ?
F1 Ga1 F2 Na2 1.51(17) . . . 3_765 ?
F3 Ga1 F2 Na2 91.74(17) . . . 3_765 ?
N2 Ga1 F2 Na2 -92.19(18) . . . 3_765 ?
N1 Ga1 F2 Na2 -121.1(6) . . . 3_765 ?
N3 Ga1 F2 Na2 -175.16(17) . . . 3_765 ?
Na2 Ga1 F2 Na2 43.47(17) . . . 3_765 ?
F1 Ga1 F3 Na1 -144.0(6) . . . . ?
F2 Ga1 F3 Na1 121.3(6) . . . . ?
N2 Ga1 F3 Na1 -15.4(15) . . . . ?
N1 Ga1 F3 Na1 -53.4(6) . . . . ?
N3 Ga1 F3 Na1 29.3(6) . . . . ?
Na2 Ga1 F3 Na1 -149.5(7) . . . . ?
F1 Ga1 F3 Na2 5.58(10) . . . . ?
F2 Ga1 F3 Na2 -89.12(10) . . . . ?
N2 Ga1 F3 Na2 134.1(11) . . . . ?
N1 Ga1 F3 Na2 96.13(11) . . . . ?
N3 Ga1 F3 Na2 178.89(11) . . . . ?
F4 Na1 F3 Ga1 -84.5(6) 3_665 . . . ?
F5 Na1 F3 Ga1 103.4(6) . . . . ?
F7 Na1 F3 Ga1 13.0(6) . . . . ?
F6 Na1 F3 Ga1 139.3(6) . . . . ?
Ga2 Na1 F3 Ga1 130.6(6) . . . . ?
Na2 Na1 F3 Ga1 149.7(7) . . . . ?
F4 Na1 F3 Na2 125.88(10) 3_665 . . . ?
F5 Na1 F3 Na2 -46.2(2) . . . . ?
F7 Na1 F3 Na2 -136.71(10) . . . . ?
F6 Na1 F3 Na2 -10.37(9) . . . . ?
Ga2 Na1 F3 Na2 -19.08(10) . . . . ?
F2 Na2 F3 Ga1 77.12(14) 3_765 . . . ?
F1 Na2 F3 Ga1 -4.94(9) . . . . ?
F11 Na2 F3 Ga1 -80.95(13) . . . . ?
F6 Na2 F3 Ga1 -163.73(10) . . . . ?
Na1 Na2 F3 Ga1 -174.41(13) . . . . ?
F2 Na2 F3 Na1 -108.46(13) 3_765 . . . ?
F1 Na2 F3 Na1 169.47(11) . . . . ?
F11 Na2 F3 Na1 93.46(12) . . . . ?
F6 Na2 F3 Na1 10.68(9) . . . . ?
Ga1 Na2 F3 Na1 174.41(13) . . . . ?
F5 Ga2 F4 Na1 3.81(19) . . . 3_665 ?
F6 Ga2 F4 Na1 93.80(18) . . . 3_665 ?
N5 Ga2 F4 Na1 -90.89(19) . . . 3_665 ?
N4 Ga2 F4 Na1 -116.3(6) . . . 3_665 ?
N6 Ga2 F4 Na1 -173.83(19) . . . 3_665 ?
Na1 Ga2 F4 Na1 45.74(18) . . . 3_665 ?
F4 Ga2 F5 Na1 85.92(11) . . . . ?
F6 Ga2 F5 Na1 -9.01(11) . . . . ?
N5 Ga2 F5 Na1 175.27(12) . . . . ?
N4 Ga2 F5 Na1 -102.73(12) . . . . ?
N6 Ga2 F5 Na1 -114.4(9) . . . . ?
F4 Na1 F5 Ga2 -126.23(11) 3_665 . . . ?
F7 Na1 F5 Ga2 135.07(11) . . . . ?
F3 Na1 F5 Ga2 46.4(2) . . . . ?
F6 Na1 F5 Ga2 7.57(9) . . . . ?
Na2 Na1 F5 Ga2 14.35(12) . . . . ?
F5 Ga2 F6 Na2 -158.7(7) . . . . ?
F4 Ga2 F6 Na2 106.8(7) . . . . ?
N5 Ga2 F6 Na2 -23.1(15) . . . . ?
N4 Ga2 F6 Na2 -68.2(7) . . . . ?
N6 Ga2 F6 Na2 14.8(7) . . . . ?
Na1 Ga2 F6 Na2 -166.8(7) . . . . ?
F5 Ga2 F6 Na1 8.09(10) . . . . ?
F4 Ga2 F6 Na1 -86.44(10) . . . . ?
N5 Ga2 F6 Na1 143.7(10) . . . . ?
N4 Ga2 F6 Na1 98.57(11) . . . . ?
N6 Ga2 F6 Na1 -178.48(11) . . . . ?
F2 Na2 F6 Ga2 -67.9(7) 3_765 . . . ?
F1 Na2 F6 Ga2 117.7(6) . . . . ?
F11 Na2 F6 Ga2 30.3(7) . . . . ?
F3 Na2 F6 Ga2 156.3(7) . . . . ?
Ga1 Na2 F6 Ga2 145.4(6) . . . . ?
Na1 Na2 F6 Ga2 166.8(7) . . . . ?
F2 Na2 F6 Na1 125.33(10) 3_765 . . . ?
F1 Na2 F6 Na1 -49.1(2) . . . . ?
F11 Na2 F6 Na1 -136.48(10) . . . . ?
F3 Na2 F6 Na1 -10.47(9) . . . . ?
Ga1 Na2 F6 Na1 -21.37(10) . . . . ?
F4 Na1 F6 Ga2 75.12(15) 3_665 . . . ?
F5 Na1 F6 Ga2 -7.12(9) . . . . ?
F7 Na1 F6 Ga2 -84.60(13) . . . . ?
F3 Na1 F6 Ga2 -166.94(10) . . . . ?
Na2 Na1 F6 Ga2 -177.61(13) . . . . ?
F4 Na1 F6 Na2 -107.27(14) 3_665 . . . ?
F5 Na1 F6 Na2 170.49(10) . . . . ?
F7 Na1 F6 Na2 93.01(13) . . . . ?
F3 Na1 F6 Na2 10.67(9) . . . . ?
Ga2 Na1 F6 Na2 177.61(13) . . . . ?
F4 Na1 F7 B1 -82.0(7) 3_665 . . . ?
F5 Na1 F7 B1 18.0(7) . . . . ?
F3 Na1 F7 B1 164.8(7) . . . . ?
F6 Na1 F7 B1 83.4(7) . . . . ?
Ga2 Na1 F7 B1 43.4(7) . . . . ?
Na2 Na1 F7 B1 132.5(7) . . . . ?
F2 Na2 F11 B2 -88.9(8) 3_765 . . . ?
F1 Na2 F11 B2 10.0(8) . . . . ?
F6 Na2 F11 B2 157.2(8) . . . . ?
F3 Na2 F11 B2 75.1(8) . . . . ?
Ga1 Na2 F11 B2 36.0(8) . . . . ?
Na1 Na2 F11 B2 124.8(8) . . . . ?
F1 Ga1 N1 C7 55.8(2) . . . . ?
F2 Ga1 N1 C7 178.7(6) . . . . ?
F3 Ga1 N1 C7 -34.0(2) . . . . ?
N2 Ga1 N1 C7 149.5(3) . . . . ?
N3 Ga1 N1 C7 -126.6(3) . . . . ?
Na2 Ga1 N1 C7 14.2(2) . . . . ?
F1 Ga1 N1 C6 178.1(2) . . . . ?
F2 Ga1 N1 C6 -58.9(7) . . . . ?
F3 Ga1 N1 C6 88.3(2) . . . . ?
N2 Ga1 N1 C6 -88.1(2) . . . . ?
N3 Ga1 N1 C6 -4.3(2) . . . . ?
Na2 Ga1 N1 C6 136.6(2) . . . . ?
F1 Ga1 N1 C1 -62.1(2) . . . . ?
F2 Ga1 N1 C1 60.8(7) . . . . ?
F3 Ga1 N1 C1 -151.9(2) . . . . ?
N2 Ga1 N1 C1 31.6(2) . . . . ?
N3 Ga1 N1 C1 115.5(2) . . . . ?
Na2 Ga1 N1 C1 -103.7(2) . . . . ?
F1 Ga1 N2 C8 -38.9(3) . . . . ?
F2 Ga1 N2 C8 55.8(3) . . . . ?
F3 Ga1 N2 C8 -167.2(10) . . . . ?
N1 Ga1 N2 C8 -129.0(3) . . . . ?
N3 Ga1 N2 C8 147.6(3) . . . . ?
Na2 Ga1 N2 C8 -37.2(3) . . . . ?
F1 Ga1 N2 C3 -156.6(2) . . . . ?
F2 Ga1 N2 C3 -62.0(2) . . . . ?
F3 Ga1 N2 C3 75.0(12) . . . . ?
N1 Ga1 N2 C3 113.3(3) . . . . ?
N3 Ga1 N2 C3 29.9(2) . . . . ?
Na2 Ga1 N2 C3 -154.9(2) . . . . ?
F1 Ga1 N2 C2 83.2(3) . . . . ?
F2 Ga1 N2 C2 177.8(2) . . . . ?
F3 Ga1 N2 C2 -45.2(12) . . . . ?
N1 Ga1 N2 C2 -6.9(2) . . . . ?
N3 Ga1 N2 C2 -90.3(3) . . . . ?
Na2 Ga1 N2 C2 84.8(3) . . . . ?
F1 Ga1 N3 C5 47.6(9) . . . . ?
F2 Ga1 N3 C5 -159.8(2) . . . . ?
F3 Ga1 N3 C5 -64.2(2) . . . . ?
N2 Ga1 N3 C5 111.7(2) . . . . ?
N1 Ga1 N3 C5 28.1(2) . . . . ?
Na2 Ga1 N3 C5 -62.9(3) . . . . ?
F1 Ga1 N3 C4 -71.3(9) . . . . ?
F2 Ga1 N3 C4 81.2(2) . . . . ?
F3 Ga1 N3 C4 176.8(2) . . . . ?
N2 Ga1 N3 C4 -7.2(2) . . . . ?
N1 Ga1 N3 C4 -90.9(2) . . . . ?
Na2 Ga1 N3 C4 178.15(18) . . . . ?
F1 Ga1 N3 C9 165.6(8) . . . . ?
F2 Ga1 N3 C9 -41.9(2) . . . . ?
F3 Ga1 N3 C9 53.8(2) . . . . ?
N2 Ga1 N3 C9 -130.3(2) . . . . ?
N1 Ga1 N3 C9 146.1(2) . . . . ?
Na2 Ga1 N3 C9 55.1(3) . . . . ?
F5 Ga2 N4 C16 -63.3(2) . . . . ?
F4 Ga2 N4 C16 57.1(7) . . . . ?
F6 Ga2 N4 C16 -152.9(2) . . . . ?
N5 Ga2 N4 C16 31.4(2) . . . . ?
N6 Ga2 N4 C16 115.3(2) . . . . ?
Na1 Ga2 N4 C16 -104.7(2) . . . . ?
F5 Ga2 N4 C22 54.9(3) . . . . ?
F4 Ga2 N4 C22 175.3(5) . . . . ?
F6 Ga2 N4 C22 -34.7(3) . . . . ?
N5 Ga2 N4 C22 149.6(3) . . . . ?
N6 Ga2 N4 C22 -126.5(3) . . . . ?
Na1 Ga2 N4 C22 13.5(3) . . . . ?
F5 Ga2 N4 C21 177.2(2) . . . . ?
F4 Ga2 N4 C21 -62.4(7) . . . . ?
F6 Ga2 N4 C21 87.6(2) . . . . ?
N5 Ga2 N4 C21 -88.0(2) . . . . ?
N6 Ga2 N4 C21 -4.1(2) . . . . ?
Na1 Ga2 N4 C21 135.9(2) . . . . ?
F5 Ga2 N5 C18 -155.9(2) . . . . ?
F4 Ga2 N5 C18 -61.4(2) . . . . ?
F6 Ga2 N5 C18 68.7(11) . . . . ?
N4 Ga2 N5 C18 114.2(2) . . . . ?
N6 Ga2 N5 C18 30.5(2) . . . . ?
Na1 Ga2 N5 C18 -151.32(17) . . . . ?
F5 Ga2 N5 C17 83.7(2) . . . . ?
F4 Ga2 N5 C17 178.2(2) . . . . ?
F6 Ga2 N5 C17 -51.7(12) . . . . ?
N4 Ga2 N5 C17 -6.1(2) . . . . ?
N6 Ga2 N5 C17 -89.8(2) . . . . ?
Na1 Ga2 N5 C17 88.3(3) . . . . ?
F5 Ga2 N5 C23 -38.4(3) . . . . ?
F4 Ga2 N5 C23 56.1(3) . . . . ?
F6 Ga2 N5 C23 -173.8(9) . . . . ?
N4 Ga2 N5 C23 -128.2(3) . . . . ?
N6 Ga2 N5 C23 148.0(3) . . . . ?
Na1 Ga2 N5 C23 -33.8(3) . . . . ?
F5 Ga2 N6 C20 39.6(10) . . . . ?
F4 Ga2 N6 C20 -160.6(2) . . . . ?
F6 Ga2 N6 C20 -65.6(2) . . . . ?
N5 Ga2 N6 C20 110.6(2) . . . . ?
N4 Ga2 N6 C20 27.9(2) . . . . ?
Na1 Ga2 N6 C20 -67.4(3) . . . . ?
F5 Ga2 N6 C24 158.2(8) . . . . ?
F4 Ga2 N6 C24 -42.1(2) . . . . ?
F6 Ga2 N6 C24 52.9(2) . . . . ?
N5 Ga2 N6 C24 -130.8(2) . . . . ?
N4 Ga2 N6 C24 146.4(2) . . . . ?
Na1 Ga2 N6 C24 51.1(3) . . . . ?
F5 Ga2 N6 C19 -79.0(9) . . . . ?
F4 Ga2 N6 C19 80.7(2) . . . . ?
F6 Ga2 N6 C19 175.7(2) . . . . ?
N5 Ga2 N6 C19 -8.0(2) . . . . ?
N4 Ga2 N6 C19 -90.8(2) . . . . ?
Na1 Ga2 N6 C19 173.97(18) . . . . ?
C7 N1 C1 C2 -172.4(3) . . . . ?
C6 N1 C1 C2 65.0(4) . . . . ?
Ga1 N1 C1 C2 -52.3(3) . . . . ?
C8 N2 C2 C1 103.8(4) . . . . ?
C3 N2 C2 C1 -134.6(3) . . . . ?
Ga1 N2 C2 C1 -19.8(4) . . . . ?
N1 C1 C2 N2 50.1(4) . . . . ?
C8 N2 C3 C4 -168.8(3) . . . . ?
C2 N2 C3 C4 69.2(4) . . . . ?
Ga1 N2 C3 C4 -48.9(4) . . . . ?
C5 N3 C4 C3 -131.8(3) . . . . ?
C9 N3 C4 C3 101.8(4) . . . . ?
Ga1 N3 C4 C3 -17.7(4) . . . . ?
N2 C3 C4 N3 45.9(5) . . . . ?
C4 N3 C5 C6 69.1(4) . . . . ?
C9 N3 C5 C6 -163.5(3) . . . . ?
Ga1 N3 C5 C6 -48.3(3) . . . . ?
C7 N1 C6 C5 103.0(4) . . . . ?
C1 N1 C6 C5 -134.4(3) . . . . ?
Ga1 N1 C6 C5 -21.3(4) . . . . ?
N3 C5 C6 N1 48.3(4) . . . . ?
C5 N3 C9 C10 -63.9(4) . . . . ?
C4 N3 C9 C10 62.5(4) . . . . ?
Ga1 N3 C9 C10 -176.9(3) . . . . ?
N3 C9 C10 C15 -103.6(4) . . . . ?
N3 C9 C10 C11 78.5(5) . . . . ?
C15 C10 C11 C12 3.0(6) . . . . ?
C9 C10 C11 C12 -179.2(4) . . . . ?
C10 C11 C12 C13 -2.4(6) . . . . ?
C11 C12 C13 C14 0.5(6) . . . . ?
C12 C13 C14 C15 0.8(6) . . . . ?
C13 C14 C15 C10 -0.2(6) . . . . ?
C11 C10 C15 C14 -1.6(6) . . . . ?
C9 C10 C15 C14 -179.5(4) . . . . ?
C22 N4 C16 C17 -173.1(3) . . . . ?
C21 N4 C16 C17 65.1(4) . . . . ?
Ga2 N4 C16 C17 -52.6(3) . . . . ?
C18 N5 C17 C16 -135.6(3) . . . . ?
C23 N5 C17 C16 103.1(3) . . . . ?
Ga2 N5 C17 C16 -20.8(4) . . . . ?
N4 C16 C17 N5 50.7(4) . . . . ?
C17 N5 C18 C19 69.3(4) . . . . ?
C23 N5 C18 C19 -169.3(3) . . . . ?
Ga2 N5 C18 C19 -49.6(3) . . . . ?
C20 N6 C19 C18 -130.5(3) . . . . ?
C24 N6 C19 C18 104.5(4) . . . . ?
Ga2 N6 C19 C18 -16.6(4) . . . . ?
N5 C18 C19 N6 45.9(4) . . . . ?
C24 N6 C20 C21 -165.8(3) . . . . ?
C19 N6 C20 C21 68.7(4) . . . . ?
Ga2 N6 C20 C21 -48.5(3) . . . . ?
C16 N4 C21 C20 -134.7(3) . . . . ?
C22 N4 C21 C20 103.4(3) . . . . ?
Ga2 N4 C21 C20 -21.0(3) . . . . ?
N6 C20 C21 N4 48.1(4) . . . . ?
C20 N6 C24 C25 -66.1(4) . . . . ?
C19 N6 C24 C25 59.0(4) . . . . ?
Ga2 N6 C24 C25 180.0(3) . . . . ?
N6 C24 C25 C26 -105.3(4) . . . . ?
N6 C24 C25 C30 77.6(5) . . . . ?
C30 C25 C26 C27 -1.6(6) . . . . ?
C24 C25 C26 C27 -178.8(4) . . . . ?
C25 C26 C27 C28 0.2(7) . . . . ?
C26 C27 C28 C29 0.0(7) . . . . ?
C27 C28 C29 C30 1.3(6) . . . . ?
C28 C29 C30 C25 -2.7(6) . . . . ?
C26 C25 C30 C29 2.9(6) . . . . ?
C24 C25 C30 C29 179.9(4) . . . . ?
Na1 F7 B1 F8 -39.5(9) . . . . ?
Na1 F7 B1 F9 81.9(8) . . . . ?
Na1 F7 B1 F10 -158.3(5) . . . . ?
Na2 F11 B2 F13 93.1(8) . . . . ?
Na2 F11 B2 F14 -28.2(10) . . . . ?
Na2 F11 B2 F12 -147.4(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.959
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.982
_refine_diff_density_max         0.624
_refine_diff_density_min         -0.593
_refine_diff_density_rms         0.131

_vrf_PLAT220_n013ky              
;
PROBLEM: Large Non-Solvent  F  Ueq(max)/Ueq(min) Range    3.2 Ratio 
RESPONSE: There are two types of F atoms, some bind to Ga metal, others belong to BF4 group.
;
_database_code_depnum_ccdc_archive 'CCDC 1008582'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_n014kz

_audit_creation_method           SHELXL-2013


# start Validation Reply Form
_vrf_PLAT306_n014kz              
;
PROBLEM: 
Isolated Oxygen Atom (H-atoms Missing ?) .......        O3W Check 
RESPONSE: 
The difference map contains peaks that approximately correspond to 
possible hydrogen positions, however, it was not possible to refine these 
into a mutually consistent arrangement. The hydrogen atoms for both 
coordinated and isolated water molecules have been omitted from the 
refined model but are included in the formula and derived parameters.
;
# end Validation Reply Form

_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H58 F18 Ga2 K2 N6 O4 P2, 2(H2 O)'
_chemical_formula_sum            'C30 H62 F18 Ga2 K2 N6 O6 P2'
_chemical_formula_weight         1224.43

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
K K 0.2009 0.2494 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   9.5708(10)
_cell_length_b                   10.2233(10)
_cell_length_c                   13.1728(10)
_cell_angle_alpha                95.498(7)
_cell_angle_beta                 91.765(7)
_cell_angle_gamma                112.970(8)
_cell_volume                     1178.0(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    7234
_cell_measurement_theta_min      3.1
_cell_measurement_theta_max      27.6

_exptl_crystal_description       Needle
_exptl_crystal_colour            Colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.726
_exptl_crystal_F_000             624
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    1.506
_shelx_estimated_absorpt_T_min   0.928
_shelx_estimated_absorpt_T_max   0.970
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.735
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   
;
Jacobson, R. (1998). REQAB. Private communication to the 
Rigaku Corporation, Tokyo, Japan.
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_source_power             2.475
_diffrn_source_voltage           45.0
_diffrn_source_current           55.0
_diffrn_source                   'Rotating Anode'

_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_collimation    'Confocal mirrors, HF Varimax '

_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'
_diffrn_detector_area_resol_mean 28.5714

_diffrn_measurement_device       'four-circle κ diffractometer'
_diffrn_measurement_device_type  'Rigaku AFC12 (Left)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            8591
_diffrn_reflns_av_unetI/netI     0.0905
_diffrn_reflns_av_R_equivalents  0.0532
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.116
_diffrn_reflns_theta_max         25.998
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             4590
_reflns_number_gt                3359
_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.
 
 _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       
;
CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)
;
_computing_cell_refinement       
;
CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)
;
_computing_data_reduction        
;
CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'ORTEP-III (Farrugia, 1997)'
_computing_publication_material  
'PLATON (Spek, 2003), WinGX (Farrugia, 1999) and enCIFer (Allen et al., 2004).'



_refine_special_details          
;
The difference map contains peaks that approximately correspond to 
possible hydrogen positions, however, it was not possible to refine these 
into a mutually consistent arrangement. The hydrogen atoms for both 
coordinated and isolated water molecules have been omitted from the 
refined model but are included in the formula and derived parameters.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0301P)²+2.5168P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4590
_refine_ls_number_parameters     300
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0848
_refine_ls_R_factor_gt           0.0554
_refine_ls_wR_factor_ref         0.1216
_refine_ls_wR_factor_gt          0.1083
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.001
_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
Ga1 Ga 0.72960(5) 0.28003(6) 0.15896(4) 0.01708(15) Uani 1 1 d . . . . .
K1 K 0.81753(12) 0.46985(12) -0.06818(8) 0.0290(3) Uani 1 1 d . . . . .
P1 P 0.64882(13) 0.34529(13) -0.34327(9) 0.0184(3) Uani 1 1 d . . . . .
F1 F 0.6203(3) 0.3294(3) 0.0599(2) 0.0312(7) Uani 1 1 d . . . . .
F2 F 0.9115(3) 0.4145(3) 0.1275(2) 0.0225(6) Uani 1 1 d . . . . .
F3 F 0.7514(3) 0.1361(3) 0.07008(19) 0.0250(7) Uani 1 1 d . . . . .
F4 F 0.4902(3) 0.2677(3) -0.2964(2) 0.0289(7) Uani 1 1 d . . . . .
F5 F 0.6846(3) 0.4847(3) -0.2624(2) 0.0258(7) Uani 1 1 d . . . . .
F6 F 0.7287(3) 0.2841(3) -0.2628(2) 0.0304(7) Uani 1 1 d . . . . .
F7 F 0.5707(3) 0.4078(3) -0.4230(2) 0.0297(7) Uani 1 1 d . . . . .
F8 F 0.6146(3) 0.2063(3) -0.4231(2) 0.0244(6) Uani 1 1 d . . . . .
F9 F 0.8087(3) 0.4232(3) -0.3902(2) 0.0317(7) Uani 1 1 d . . . . .
N1 N 0.5276(4) 0.1400(4) 0.2103(3) 0.0192(9) Uani 1 1 d . . . . .
N2 N 0.7098(4) 0.4262(4) 0.2765(3) 0.0211(9) Uani 1 1 d . . . . .
N3 N 0.8330(4) 0.2164(4) 0.2816(3) 0.0140(8) Uani 1 1 d . . . . .
C1 C 0.4520(5) 0.2341(5) 0.2491(4) 0.0246(11) Uani 1 1 d . . . . .
H1A H 0.3620 0.1784 0.2847 0.030 Uiso 1 1 calc R U . . .
H1B H 0.4165 0.2706 0.1909 0.030 Uiso 1 1 calc R U . . .
C2 C 0.5600(5) 0.3590(5) 0.3222(4) 0.0259(12) Uani 1 1 d . . . . .
H2A H 0.5153 0.4308 0.3361 0.031 Uiso 1 1 calc R U . . .
H2B H 0.5758 0.3251 0.3878 0.031 Uiso 1 1 calc R U . . .
C3 C 0.8407(5) 0.4530(5) 0.3501(4) 0.0239(11) Uani 1 1 d . . . . .
H3A H 0.8323 0.5096 0.4132 0.029 Uiso 1 1 calc R U . . .
H3B H 0.9362 0.5098 0.3202 0.029 Uiso 1 1 calc R U . . .
C4 C 0.8469(5) 0.3144(5) 0.3768(3) 0.0184(10) Uani 1 1 d . . . . .
H4A H 0.9444 0.3349 0.4161 0.022 Uiso 1 1 calc R U . . .
H4B H 0.7630 0.2673 0.4200 0.022 Uiso 1 1 calc R U . . .
C5 C 0.7224(5) 0.0685(5) 0.2888(4) 0.0209(11) Uani 1 1 d . . . . .
H5A H 0.7499 0.0337 0.3509 0.025 Uiso 1 1 calc R U . . .
H5B H 0.7259 0.0044 0.2285 0.025 Uiso 1 1 calc R U . . .
C6 C 0.5626(5) 0.0651(5) 0.2936(4) 0.0215(11) Uani 1 1 d . . . . .
H6A H 0.4880 -0.0354 0.2865 0.026 Uiso 1 1 calc R U . . .
H6B H 0.5534 0.1121 0.3608 0.026 Uiso 1 1 calc R U . . .
C7 C 0.4289(5) 0.0326(6) 0.1270(4) 0.0298(12) Uani 1 1 d . . . . .
H7A H 0.3293 -0.0207 0.1519 0.045 Uiso 1 1 calc R U . . .
H7B H 0.4762 -0.0338 0.1050 0.045 Uiso 1 1 calc R U . . .
H7C H 0.4159 0.0813 0.0691 0.045 Uiso 1 1 calc R U . . .
C8 C 0.7253(6) 0.5624(6) 0.2384(5) 0.0359(14) Uani 1 1 d . . . . .
H8A H 0.7343 0.6335 0.2964 0.054 Uiso 1 1 calc R U . . .
H8B H 0.6354 0.5467 0.1934 0.054 Uiso 1 1 calc R U . . .
H8C H 0.8165 0.5973 0.2002 0.054 Uiso 1 1 calc R U . . .
C9 C 0.9854(5) 0.2208(5) 0.2552(3) 0.0173(10) Uani 1 1 d . . . . .
H9A H 1.0565 0.3223 0.2583 0.021 Uiso 1 1 calc R U . . .
H9B H 0.9760 0.1770 0.1836 0.021 Uiso 1 1 calc R U . . .
C10 C 1.0556(5) 0.1466(5) 0.3221(3) 0.0174(10) Uani 1 1 d . . . . .
C11 C 1.1515(5) 0.2188(5) 0.4082(4) 0.0195(10) Uani 1 1 d . . . . .
H11 H 1.1712 0.3165 0.4280 0.023 Uiso 1 1 calc R U . . .
C12 C 1.2190(5) 0.1493(6) 0.4657(4) 0.0257(12) Uani 1 1 d . . . . .
H12 H 1.2837 0.1996 0.5249 0.031 Uiso 1 1 calc R U . . .
C13 C 1.1929(6) 0.0085(6) 0.4375(4) 0.0286(12) Uani 1 1 d . . . . .
H13 H 1.2400 -0.0384 0.4768 0.034 Uiso 1 1 calc R U . . .
C14 C 1.0982(6) -0.0644(5) 0.3521(4) 0.0283(12) Uani 1 1 d . . . . .
H14 H 1.0801 -0.1618 0.3323 0.034 Uiso 1 1 calc R U . . .
C15 C 1.0291(5) 0.0032(5) 0.2949(4) 0.0220(11) Uani 1 1 d . . . . .
H15 H 0.9628 -0.0485 0.2366 0.026 Uiso 1 1 calc R U . . .
O1W O 1.0266(4) 0.7282(4) 0.0558(3) 0.0419(10) Uani 1 1 d . . . . .
O2W O 0.6456(5) 0.6413(5) -0.0165(3) 0.0539(12) Uani 1 1 d . . . . .
O3W O 0.8618(5) -0.0731(5) 0.0417(3) 0.0556(13) Uani 1 1 d . . . . .


_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
Ga1 F2 1.838(2) . ?
Ga1 F3 1.872(3) . ?
Ga1 F1 1.873(3) . ?
Ga1 N1 2.086(4) . ?
Ga1 N2 2.112(4) . ?
Ga1 N3 2.148(4) . ?
Ga1 K1 3.6633(12) . ?
K1 F2 2.578(3) 2_765 ?
K1 F1 2.649(3) . ?
K1 F5 2.866(3) . ?
K1 F2 2.882(3) . ?
K1 O2W 2.887(4) . ?
K1 O1W 2.914(4) . ?
K1 F6 2.928(3) . ?
K1 O1W 2.959(4) 2_765 ?
K1 K1 3.678(2) 2_765 ?
K1 P1 3.8093(17) . ?
P1 F7 1.588(3) . ?
P1 F4 1.590(3) . ?
P1 F6 1.597(3) . ?
P1 F9 1.600(3) . ?
P1 F8 1.600(3) . ?
P1 F5 1.609(3) . ?
F2 K1 2.578(3) 2_765 ?
N1 C1 1.477(6) . ?
N1 C7 1.482(6) . ?
N1 C6 1.496(6) . ?
N2 C3 1.480(6) . ?
N2 C8 1.481(6) . ?
N2 C2 1.501(6) . ?
N3 C5 1.484(5) . ?
N3 C9 1.494(5) . ?
N3 C4 1.496(6) . ?
C1 C2 1.516(7) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.515(6) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.519(6) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.514(6) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.386(6) . ?
C10 C15 1.394(6) . ?
C11 C12 1.387(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.373(7) . ?
C12 H12 0.9500 . ?
C13 C14 1.375(7) . ?
C13 H13 0.9500 . ?
C14 C15 1.382(7) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
O1W K1 2.959(4) 2_765 ?

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
F2 Ga1 F3 92.10(12) . . ?
F2 Ga1 F1 91.98(12) . . ?
F3 Ga1 F1 93.80(13) . . ?
F2 Ga1 N1 173.79(13) . . ?
F3 Ga1 N1 93.25(13) . . ?
F1 Ga1 N1 90.80(14) . . ?
F2 Ga1 N2 90.89(13) . . ?
F3 Ga1 N2 171.68(14) . . ?
F1 Ga1 N2 93.86(14) . . ?
N1 Ga1 N2 83.38(15) . . ?
F2 Ga1 N3 93.54(12) . . ?
F3 Ga1 N3 88.95(13) . . ?
F1 Ga1 N3 173.74(12) . . ?
N1 Ga1 N3 83.42(14) . . ?
N2 Ga1 N3 83.11(14) . . ?
F2 Ga1 K1 50.90(8) . . ?
F3 Ga1 K1 81.67(9) . . ?
F1 Ga1 K1 43.76(8) . . ?
N1 Ga1 K1 133.17(11) . . ?
N2 Ga1 K1 106.19(11) . . ?
N3 Ga1 K1 142.40(9) . . ?
F2 K1 F1 152.68(9) 2_765 . ?
F2 K1 F5 91.65(8) 2_765 . ?
F1 K1 F5 114.87(9) . . ?
F2 K1 F2 95.49(8) 2_765 . ?
F1 K1 F2 57.52(8) . . ?
F5 K1 F2 171.26(8) . . ?
F2 K1 O2W 120.57(12) 2_765 . ?
F1 K1 O2W 74.50(12) . . ?
F5 K1 O2W 76.70(10) . . ?
F2 K1 O2W 103.75(10) . . ?
F2 K1 O1W 63.35(10) 2_765 . ?
F1 K1 O1W 104.70(10) . . ?
F5 K1 O1W 120.86(10) . . ?
F2 K1 O1W 67.15(9) . . ?
O2W K1 O1W 73.64(12) . . ?
F2 K1 F6 88.48(9) 2_765 . ?
F1 K1 F6 105.09(9) . . ?
F5 K1 F6 45.67(8) . . ?
F2 K1 F6 129.35(9) . . ?
O2W K1 F6 117.25(10) . . ?
O1W K1 F6 150.10(10) . . ?
F2 K1 O1W 70.36(10) 2_765 2_765 ?
F1 K1 O1W 90.06(10) . 2_765 ?
F5 K1 O1W 118.85(10) . 2_765 ?
F2 K1 O1W 59.47(9) . 2_765 ?
O2W K1 O1W 162.14(12) . 2_765 ?
O1W K1 O1W 102.47(10) . 2_765 ?
F6 K1 O1W 74.97(10) . 2_765 ?
F2 K1 Ga1 123.45(7) 2_765 . ?
F1 K1 Ga1 29.27(6) . . ?
F5 K1 Ga1 141.90(6) . . ?
F2 K1 Ga1 29.66(5) . . ?
O2W K1 Ga1 94.65(10) . . ?
O1W K1 Ga1 90.73(8) . . ?
F6 K1 Ga1 114.55(7) . . ?
O1W K1 Ga1 67.76(7) 2_765 . ?
F2 K1 K1 51.26(6) 2_765 2_765 ?
F1 K1 K1 101.65(7) . 2_765 ?
F5 K1 K1 142.63(7) . 2_765 ?
F2 K1 K1 44.24(5) . 2_765 ?
O2W K1 K1 122.86(10) . 2_765 ?
O1W K1 K1 51.78(9) . 2_765 ?
F6 K1 K1 118.57(8) . 2_765 ?
O1W K1 K1 50.69(8) 2_765 2_765 ?
Ga1 K1 K1 72.87(3) . 2_765 ?
F2 K1 P1 91.53(7) 2_765 . ?
F1 K1 P1 110.29(7) . . ?
F5 K1 P1 22.75(6) . . ?
F2 K1 P1 151.36(7) . . ?
O2W K1 P1 96.33(8) . . ?
O1W K1 P1 139.43(8) . . ?
F6 K1 P1 23.01(6) . . ?
O1W K1 P1 97.47(8) 2_765 . ?
Ga1 K1 P1 129.66(4) . . ?
K1 K1 P1 134.95(5) 2_765 . ?
F7 P1 F4 90.59(17) . . ?
F7 P1 F6 179.40(17) . . ?
F4 P1 F6 89.79(16) . . ?
F7 P1 F9 89.58(16) . . ?
F4 P1 F9 179.8(2) . . ?
F6 P1 F9 90.04(16) . . ?
F7 P1 F8 90.10(15) . . ?
F4 P1 F8 90.15(15) . . ?
F6 P1 F8 90.36(15) . . ?
F9 P1 F8 89.86(15) . . ?
F7 P1 F5 90.45(15) . . ?
F4 P1 F5 90.06(15) . . ?
F6 P1 F5 89.09(15) . . ?
F9 P1 F5 89.93(15) . . ?
F8 P1 F5 179.41(17) . . ?
F7 P1 K1 133.81(11) . . ?
F4 P1 K1 86.50(11) . . ?
F6 P1 K1 45.76(11) . . ?
F9 P1 K1 93.38(11) . . ?
F8 P1 K1 135.93(12) . . ?
F5 P1 K1 43.54(10) . . ?
Ga1 F1 K1 106.97(11) . . ?
Ga1 F2 K1 161.54(15) . 2_765 ?
Ga1 F2 K1 99.44(10) . . ?
K1 F2 K1 84.51(8) 2_765 . ?
P1 F5 K1 113.71(14) . . ?
P1 F6 K1 111.23(14) . . ?
C1 N1 C7 109.8(4) . . ?
C1 N1 C6 111.4(4) . . ?
C7 N1 C6 109.5(4) . . ?
C1 N1 Ga1 103.9(3) . . ?
C7 N1 Ga1 112.3(3) . . ?
C6 N1 Ga1 109.8(3) . . ?
C3 N2 C8 109.1(4) . . ?
C3 N2 C2 112.3(4) . . ?
C8 N2 C2 110.9(4) . . ?
C3 N2 Ga1 103.5(3) . . ?
C8 N2 Ga1 111.5(3) . . ?
C2 N2 Ga1 109.3(3) . . ?
C5 N3 C9 112.0(4) . . ?
C5 N3 C4 112.0(3) . . ?
C9 N3 C4 110.8(3) . . ?
C5 N3 Ga1 102.6(3) . . ?
C9 N3 Ga1 110.3(3) . . ?
C4 N3 Ga1 108.7(3) . . ?
N1 C1 C2 110.9(4) . . ?
N1 C1 H1A 109.5 . . ?
C2 C1 H1A 109.5 . . ?
N1 C1 H1B 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 108.1 . . ?
N2 C2 C1 109.9(4) . . ?
N2 C2 H2A 109.7 . . ?
C1 C2 H2A 109.7 . . ?
N2 C2 H2B 109.7 . . ?
C1 C2 H2B 109.7 . . ?
H2A C2 H2B 108.2 . . ?
N2 C3 C4 111.4(4) . . ?
N2 C3 H3A 109.3 . . ?
C4 C3 H3A 109.3 . . ?
N2 C3 H3B 109.3 . . ?
C4 C3 H3B 109.3 . . ?
H3A C3 H3B 108.0 . . ?
N3 C4 C3 110.3(4) . . ?
N3 C4 H4A 109.6 . . ?
C3 C4 H4A 109.6 . . ?
N3 C4 H4B 109.6 . . ?
C3 C4 H4B 109.6 . . ?
H4A C4 H4B 108.1 . . ?
N3 C5 C6 110.1(4) . . ?
N3 C5 H5A 109.6 . . ?
C6 C5 H5A 109.6 . . ?
N3 C5 H5B 109.6 . . ?
C6 C5 H5B 109.6 . . ?
H5A C5 H5B 108.1 . . ?
N1 C6 C5 110.9(4) . . ?
N1 C6 H6A 109.5 . . ?
C5 C6 H6A 109.5 . . ?
N1 C6 H6B 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 108.1 . . ?
N1 C7 H7A 109.5 . . ?
N1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
N1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N2 C8 H8A 109.5 . . ?
N2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N3 C9 C10 116.2(4) . . ?
N3 C9 H9A 108.2 . . ?
C10 C9 H9A 108.2 . . ?
N3 C9 H9B 108.2 . . ?
C10 C9 H9B 108.2 . . ?
H9A C9 H9B 107.4 . . ?
C11 C10 C15 118.4(4) . . ?
C11 C10 C9 121.8(4) . . ?
C15 C10 C9 119.8(4) . . ?
C10 C11 C12 120.5(4) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C13 C12 C11 120.5(5) . . ?
C13 C12 H12 119.8 . . ?
C11 C12 H12 119.8 . . ?
C12 C13 C14 119.6(5) . . ?
C12 C13 H13 120.2 . . ?
C14 C13 H13 120.2 . . ?
C13 C14 C15 120.4(5) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 H14 119.8 . . ?
C14 C15 C10 120.6(5) . . ?
C14 C15 H15 119.7 . . ?
C10 C15 H15 119.7 . . ?
K1 O1W K1 77.53(10) . 2_765 ?

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
F2 Ga1 F1 K1 18.45(14) . . . . ?
F3 Ga1 F1 K1 -73.78(13) . . . . ?
N1 Ga1 F1 K1 -167.10(15) . . . . ?
N2 Ga1 F1 K1 109.49(14) . . . . ?
F3 Ga1 F2 K1 -23.5(4) . . . 2_765 ?
F1 Ga1 F2 K1 -117.4(4) . . . 2_765 ?
N2 Ga1 F2 K1 148.7(4) . . . 2_765 ?
N3 Ga1 F2 K1 65.5(4) . . . 2_765 ?
K1 Ga1 F2 K1 -101.0(4) . . . 2_765 ?
F3 Ga1 F2 K1 77.49(11) . . . . ?
F1 Ga1 F2 K1 -16.39(12) . . . . ?
N2 Ga1 F2 K1 -110.28(13) . . . . ?
N3 Ga1 F2 K1 166.57(12) . . . . ?
F7 P1 F5 K1 175.44(15) . . . . ?
F4 P1 F5 K1 84.85(15) . . . . ?
F6 P1 F5 K1 -4.94(15) . . . . ?
F9 P1 F5 K1 -94.98(16) . . . . ?
F4 P1 F6 K1 -85.32(15) . . . . ?
F9 P1 F6 K1 94.68(15) . . . . ?
F8 P1 F6 K1 -175.46(14) . . . . ?
F5 P1 F6 K1 4.75(15) . . . . ?
C7 N1 C1 C2 -171.0(4) . . . . ?
C6 N1 C1 C2 67.6(5) . . . . ?
Ga1 N1 C1 C2 -50.6(4) . . . . ?
C3 N2 C2 C1 -133.4(4) . . . . ?
C8 N2 C2 C1 104.2(5) . . . . ?
Ga1 N2 C2 C1 -19.1(5) . . . . ?
N1 C1 C2 N2 47.7(5) . . . . ?
C8 N2 C3 C4 -169.4(4) . . . . ?
C2 N2 C3 C4 67.2(5) . . . . ?
Ga1 N2 C3 C4 -50.6(4) . . . . ?
C5 N3 C4 C3 -133.5(4) . . . . ?
C9 N3 C4 C3 100.5(4) . . . . ?
Ga1 N3 C4 C3 -20.9(4) . . . . ?
N2 C3 C4 N3 49.4(5) . . . . ?
C9 N3 C5 C6 -168.2(4) . . . . ?
C4 N3 C5 C6 66.5(5) . . . . ?
Ga1 N3 C5 C6 -49.9(4) . . . . ?
C1 N1 C6 C5 -135.8(4) . . . . ?
C7 N1 C6 C5 102.6(4) . . . . ?
Ga1 N1 C6 C5 -21.2(4) . . . . ?
N3 C5 C6 N1 49.6(5) . . . . ?
C5 N3 C9 C10 -52.5(5) . . . . ?
C4 N3 C9 C10 73.4(5) . . . . ?
Ga1 N3 C9 C10 -166.1(3) . . . . ?
N3 C9 C10 C11 -91.4(5) . . . . ?
N3 C9 C10 C15 91.3(5) . . . . ?
C15 C10 C11 C12 0.0(7) . . . . ?
C9 C10 C11 C12 -177.4(4) . . . . ?
C10 C11 C12 C13 0.6(7) . . . . ?
C11 C12 C13 C14 -0.5(7) . . . . ?
C12 C13 C14 C15 -0.2(7) . . . . ?
C13 C14 C15 C10 0.8(7) . . . . ?
C11 C10 C15 C14 -0.7(7) . . . . ?
C9 C10 C15 C14 176.8(4) . . . . ?

_refine_diff_density_max         0.566
_refine_diff_density_min         -0.589
_refine_diff_density_rms         0.118

_shelxl_version_number           2013-3

_database_code_depnum_ccdc_archive 'CCDC 1008583'
