#------------------------------------------------------------------------------
#$Date: 2016-03-26 14:38:36 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180271 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/57/7115790.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_7115790
loop_
_publ_author_name
'Rajiv Bhalla'
'William Levason'
'Sajinder K. Luthra'
'Graeme McRobbie'
'Gillian Reid'
'George Sanderson'
'Wenjian Zhang'
_publ_section_title
;
 [GaF3(BzMe2-tacn)] - a neutral 'metalloligand' towards alkali metal and
 ammonium cations in water
;
_journal_name_full               Chem.Commun.
_journal_page_first              12673
_journal_paper_doi               10.1039/C4cc05603E
_journal_volume                  50
_journal_year                    2014
_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
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                95.498(7)
_cell_angle_beta                 91.765(7)
_cell_angle_gamma                112.970(8)
_cell_formula_units_Z            1
_cell_length_a                   9.5708(10)
_cell_length_b                   10.2233(10)
_cell_length_c                   13.1728(10)
_cell_measurement_reflns_used    7234
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      3.1
_cell_volume                     1178.0(2)
_computing_cell_refinement
;
CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)
;
_computing_data_collection
;
CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)
;
_computing_data_reduction
;
CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)
;
_computing_molecular_graphics    'ORTEP-III (Farrugia, 1997)'
_computing_publication_material
'PLATON (Spek, 2003), WinGX (Farrugia, 1999) and enCIFer (Allen et al., 2004).'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.989
_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_radiation_collimation    'Confocal mirrors, HF Varimax '
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0532
_diffrn_reflns_av_unetI/netI     0.0905
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8591
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.998
_diffrn_reflns_theta_min         3.116
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           55.0
_diffrn_source_power             2.475
_diffrn_source_voltage           45.0
_exptl_absorpt_coefficient_mu    1.506
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.735
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Jacobson, R. (1998). REQAB. Private communication to the 
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.726
_exptl_crystal_description       Needle
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.566
_refine_diff_density_min         -0.589
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     300
_refine_ls_number_reflns         4590
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0848
_refine_ls_R_factor_gt           0.0554
_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)+(0.0301P)²+2.5168P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1083
_refine_ls_wR_factor_ref         0.1216
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3359
_reflns_number_total             4590
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4cc05603e2.cif
_cod_data_source_block           n014kz
_cod_database_code               7115790
#BEGIN Tags that were not found in dictionaries:
_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   0.928
_shelx_estimated_absorpt_t_max   0.970
_shelxl_version_number           2013-3
#END Tags that were not found in dictionaries
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
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 . .
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'
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
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_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
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_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_4
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) .
