#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:43:37 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179344 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/41/4324152.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_4324152
loop_
_publ_author_name
'Werner Uhl'
'Thomas Abel'
'Elke Hagemeier'
'Alexander Hepp'
'Marcus Layh'
'Babak Rezaeirad'
'Heinrich Luftmann'
_publ_section_title
;
 Oligonuclear Gallium Nitrogen Cage Compounds: Molecular Intermediates on
 the Way from Gallium Hydrazides to Gallium Nitride
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              325
_journal_page_last               335
_journal_paper_doi               10.1021/ic1019839
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C33 H49 F Ga4 N7'
_chemical_formula_weight         841.67
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.8820(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.8919(7)
_cell_length_b                   16.2658(5)
_cell_length_c                   19.4090(6)
_cell_measurement_reflns_used    9936
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      72.4605
_cell_measurement_theta_min      3.3405
_cell_volume                     7178.4(4)
_computing_cell_refinement       'Bruker SAINT+'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.948
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0325
_diffrn_reflns_av_sigmaI/netI    0.0296
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            42744
_diffrn_reflns_theta_full        73.05
_diffrn_reflns_theta_max         73.05
_diffrn_reflns_theta_min         1.94
_exptl_absorpt_coefficient_mu    3.730
_exptl_absorpt_correction_T_max  0.6427
_exptl_absorpt_correction_T_min  0.2846
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             3432
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.324
_refine_diff_density_min         -0.872
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     868
_refine_ls_number_reflns         13603
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.0369
_refine_ls_R_factor_gt           0.0330
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0356P)²+10.7993P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0867
_refine_ls_wR_factor_ref         0.0886
_reflns_number_gt                12362
_reflns_number_total             13603
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1019839_si_001_6.cif
_cod_data_source_block           sad1
_cod_database_code               4324152
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'
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
Ga11 Ga 0.350623(15) 0.43413(2) 0.141991(18) 0.01802(8) Uani 1 1 d . . .
C16 C 0.28127(13) 0.36510(19) 0.13010(17) 0.0247(6) Uani 1 1 d . . .
H16 H 0.2943 0.3090 0.1374 0.030 Uiso 1 1 calc R . .
C161 C 0.25112(17) 0.3857(3) 0.1867(2) 0.0492(10) Uani 1 1 d . . .
H16A H 0.2376 0.4415 0.1806 0.059 Uiso 1 1 calc R . .
H16B H 0.2785 0.3788 0.2343 0.059 Uiso 1 1 calc R . .
H16C H 0.2182 0.3495 0.1810 0.059 Uiso 1 1 calc R . .
C162 C 0.23813(17) 0.3716(3) 0.0549(2) 0.0480(10) Uani 1 1 d . . .
H16D H 0.2055 0.3356 0.0508 0.058 Uiso 1 1 calc R . .
H16E H 0.2572 0.3563 0.0199 0.058 Uiso 1 1 calc R . .
H16F H 0.2243 0.4272 0.0461 0.058 Uiso 1 1 calc R . .
Ga12 Ga 0.412808(15) 0.56712(2) 0.073794(18) 0.01795(8) Uani 1 1 d . . .
C17 C 0.40779(14) 0.5645(2) -0.02893(16) 0.0255(6) Uani 1 1 d . . .
H17 H 0.4408 0.5946 -0.0342 0.031 Uiso 1 1 calc R . .
C171 C 0.41215(17) 0.4769(2) -0.05448(19) 0.0370(8) Uani 1 1 d . . .
H17A H 0.3803 0.4448 -0.0484 0.044 Uiso 1 1 calc R . .
H17B H 0.4489 0.4532 -0.0265 0.044 Uiso 1 1 calc R . .
H17C H 0.4100 0.4775 -0.1047 0.044 Uiso 1 1 calc R . .
C172 C 0.35230(19) 0.6070(3) -0.07498(19) 0.0480(10) Uani 1 1 d . . .
H17D H 0.3520 0.6080 -0.1245 0.058 Uiso 1 1 calc R . .
H17E H 0.3514 0.6623 -0.0581 0.058 Uiso 1 1 calc R . .
H17F H 0.3185 0.5776 -0.0714 0.058 Uiso 1 1 calc R . .
Ga13 Ga 0.350493(15) 0.61857(2) 0.185466(18) 0.01804(8) Uani 1 1 d . . .
C18 C 0.30614(13) 0.72232(18) 0.16570(16) 0.0224(6) Uani 1 1 d . . .
H18 H 0.2667 0.7111 0.1656 0.027 Uiso 1 1 calc R . .
C181 C 0.33120(15) 0.7888(2) 0.2219(2) 0.0340(8) Uani 1 1 d . . .
H18A H 0.3716 0.7986 0.2253 0.041 Uiso 1 1 calc R . .
H18B H 0.3287 0.7712 0.2681 0.041 Uiso 1 1 calc R . .
H18C H 0.3091 0.8386 0.2077 0.041 Uiso 1 1 calc R . .
C182 C 0.30353(16) 0.7525(2) 0.09030(19) 0.0329(7) Uani 1 1 d . . .
H18D H 0.2824 0.8035 0.0804 0.039 Uiso 1 1 calc R . .
H18E H 0.2838 0.7123 0.0549 0.039 Uiso 1 1 calc R . .
H18F H 0.3427 0.7606 0.0881 0.039 Uiso 1 1 calc R . .
Ga14 Ga 0.469513(14) 0.51599(2) 0.239131(18) 0.01779(8) Uani 1 1 d . . .
C19 C 0.54187(13) 0.48086(18) 0.31291(16) 0.0234(6) Uani 1 1 d . . .
H19 H 0.5446 0.5100 0.3568 0.028 Uiso 1 1 calc R . .
C191 C 0.59706(14) 0.4993(2) 0.2923(2) 0.0391(9) Uani 1 1 d . . .
H19A H 0.6309 0.4798 0.3297 0.047 Uiso 1 1 calc R . .
H19B H 0.6003 0.5575 0.2865 0.047 Uiso 1 1 calc R . .
H19C H 0.5947 0.4721 0.2476 0.047 Uiso 1 1 calc R . .
C192 C 0.53624(15) 0.3900(2) 0.32682(18) 0.0294(7) Uani 1 1 d . . .
H19D H 0.5294 0.3601 0.2823 0.035 Uiso 1 1 calc R . .
H19E H 0.5039 0.3815 0.3456 0.035 Uiso 1 1 calc R . .
H19F H 0.5719 0.3708 0.3613 0.035 Uiso 1 1 calc R . .
N11 N 0.42135(10) 0.40499(15) 0.12044(13) 0.0205(5) Uani 1 1 d . . .
C111 C 0.44746(13) 0.33049(18) 0.11768(15) 0.0196(6) Uani 1 1 d . . .
C112 C 0.50789(13) 0.31810(19) 0.13125(16) 0.0229(6) Uani 1 1 d . . .
H112 H 0.5346 0.3634 0.1463 0.027 Uiso 1 1 calc R . .
C113 C 0.52944(14) 0.2406(2) 0.12314(16) 0.0272(7) Uani 1 1 d . . .
H113 H 0.5709 0.2338 0.1314 0.033 Uiso 1 1 calc R . .
C114 C 0.49339(15) 0.1738(2) 0.10375(17) 0.0288(7) Uani 1 1 d . . .
H114 H 0.5091 0.1205 0.0989 0.035 Uiso 1 1 calc R . .
C115 C 0.43313(15) 0.18492(19) 0.09122(16) 0.0273(7) Uani 1 1 d . . .
H115 H 0.4070 0.1387 0.0779 0.033 Uiso 1 1 calc R . .
C116 C 0.41089(14) 0.26120(19) 0.09771(15) 0.0231(6) Uani 1 1 d . . .
H116 H 0.3693 0.2675 0.0884 0.028 Uiso 1 1 calc R . .
N12 N 0.45895(11) 0.47769(15) 0.13783(13) 0.0186(5) Uani 1 1 d . . .
H012 H 0.4858(16) 0.471(2) 0.1241(18) 0.019(9) Uiso 1 1 d . . .
N13 N 0.44661(10) 0.65458(15) 0.14093(12) 0.0186(5) Uani 1 1 d . . .
C131 C 0.50043(12) 0.69135(17) 0.14793(15) 0.0180(5) Uani 1 1 d . . .
C132 C 0.54366(13) 0.70522(18) 0.21394(16) 0.0214(6) Uani 1 1 d . . .
H132 H 0.5378 0.6860 0.2580 0.026 Uiso 1 1 calc R . .
C133 C 0.59502(13) 0.7465(2) 0.21652(18) 0.0284(7) Uani 1 1 d . . .
H133 H 0.6243 0.7554 0.2624 0.034 Uiso 1 1 calc R . .
C134 C 0.60476(14) 0.7749(2) 0.15421(19) 0.0318(7) Uani 1 1 d . . .
H134 H 0.6404 0.8036 0.1564 0.038 Uiso 1 1 calc R . .
C135 C 0.56213(15) 0.7612(2) 0.08848(18) 0.0309(7) Uani 1 1 d . . .
H135 H 0.5686 0.7802 0.0447 0.037 Uiso 1 1 calc R . .
C136 C 0.51078(14) 0.72102(19) 0.08489(16) 0.0253(6) Uani 1 1 d . . .
H136 H 0.4816 0.7131 0.0388 0.030 Uiso 1 1 calc R . .
N14 N 0.43848(10) 0.62793(15) 0.20935(13) 0.0181(5) Uani 1 1 d . . .
H014 H 0.4491(15) 0.672(2) 0.2425(19) 0.025(9) Uiso 1 1 d . . .
N15 N 0.35447(11) 0.53588(15) 0.25775(13) 0.0204(5) Uani 1 1 d . . .
C151 C 0.36230(13) 0.55166(19) 0.33017(16) 0.0217(6) Uani 1 1 d . . .
C152 C 0.32806(15) 0.6142(2) 0.34674(18) 0.0295(7) Uani 1 1 d . . .
H152 H 0.3011 0.6445 0.3081 0.035 Uiso 1 1 calc R . .
C153 C 0.33241(18) 0.6330(2) 0.4170(2) 0.0398(9) Uani 1 1 d . . .
H153 H 0.3091 0.6769 0.4269 0.048 Uiso 1 1 calc R . .
C154 C 0.3697(2) 0.5896(3) 0.4737(2) 0.0516(11) Uani 1 1 d . . .
H154 H 0.3725 0.6027 0.5229 0.062 Uiso 1 1 calc R . .
C155 C 0.40310(18) 0.5271(3) 0.45853(19) 0.0426(9) Uani 1 1 d . . .
H155 H 0.4292 0.4965 0.4977 0.051 Uiso 1 1 calc R . .
C156 C 0.39973(15) 0.5075(2) 0.38786(17) 0.0289(7) Uani 1 1 d . . .
H156 H 0.4232 0.4635 0.3785 0.035 Uiso 1 1 calc R . .
N16 N 0.39268(10) 0.47206(15) 0.24302(13) 0.0184(5) Uani 1 1 d . . .
H016 H 0.3952(14) 0.433(2) 0.2719(18) 0.018(8) Uiso 1 1 d . . .
N17 N 0.34346(11) 0.54544(15) 0.10375(13) 0.0186(5) Uani 1 1 d . . .
H017 H 0.3134(19) 0.549(3) 0.074(2) 0.042(12) Uiso 1 1 d . . .
Ga21 Ga 0.080367(15) 0.93978(2) 0.136764(18) 0.01883(8) Uani 1 1 d . . .
C26 C 0.08363(14) 0.9295(2) 0.03767(16) 0.0270(7) Uani 1 1 d . . .
H26 H 0.0461 0.9101 0.0078 0.032 Uiso 1 1 calc R . .
C261 C 0.09565(18) 1.0117(2) 0.0080(2) 0.0415(9) Uani 1 1 d . . .
H26A H 0.1322 1.0335 0.0386 0.050 Uiso 1 1 calc R . .
H26B H 0.0644 1.0492 0.0068 0.050 Uiso 1 1 calc R . .
H26C H 0.0980 1.0043 -0.0401 0.050 Uiso 1 1 calc R . .
C262 C 0.12992(16) 0.8656(2) 0.0355(2) 0.0386(8) Uani 1 1 d . . .
H26D H 0.1306 0.8591 -0.0134 0.046 Uiso 1 1 calc R . .
H26E H 0.1204 0.8140 0.0531 0.046 Uiso 1 1 calc R . .
H26F H 0.1679 0.8836 0.0655 0.046 Uiso 1 1 calc R . .
Ga22 Ga 0.031739(14) 1.00478(2) 0.261754(18) 0.01809(8) Uani 1 1 d . . .
C27 C -0.03818(13) 1.04026(18) 0.28689(17) 0.0226(6) Uani 1 1 d . . .
H27 H -0.0389 1.0106 0.3294 0.027 Uiso 1 1 calc R . .
C271 C -0.03193(14) 1.13090(19) 0.30595(19) 0.0300(7) Uani 1 1 d . . .
H27A H -0.0302 1.1619 0.2646 0.036 Uiso 1 1 calc R . .
H27B H 0.0035 1.1396 0.3452 0.036 Uiso 1 1 calc R . .
H27C H -0.0651 1.1486 0.3201 0.036 Uiso 1 1 calc R . .
C272 C -0.09560(15) 1.0233(2) 0.2279(2) 0.0405(9) Uani 1 1 d . . .
H27D H -0.1280 1.0399 0.2442 0.049 Uiso 1 1 calc R . .
H27E H -0.0987 0.9656 0.2171 0.049 Uiso 1 1 calc R . .
H27F H -0.0965 1.0536 0.1852 0.049 Uiso 1 1 calc R . .
Ga23 Ga 0.149763(15) 1.07668(2) 0.242241(19) 0.02040(8) Uani 1 1 d . . .
C28 C 0.22288(14) 1.1402(2) 0.26988(18) 0.0313(7) Uani 1 1 d . . .
H28 H 0.2114 1.1965 0.2720 0.038 Uiso 1 1 calc R . .
C281 C 0.2506(3) 1.1364(4) 0.2114(4) 0.096(2) Uani 1 1 d . . .
H28A H 0.2791 1.1797 0.2180 0.115 Uiso 1 1 calc R . .
H28B H 0.2210 1.1429 0.1654 0.115 Uiso 1 1 calc R . .
H28C H 0.2697 1.0842 0.2129 0.115 Uiso 1 1 calc R . .
C282 C 0.2606(2) 1.1196(4) 0.3435(3) 0.086(2) Uani 1 1 d . . .
H28D H 0.2701 1.0621 0.3459 0.103 Uiso 1 1 calc R . .
H28E H 0.2401 1.1319 0.3778 0.103 Uiso 1 1 calc R . .
H28F H 0.2961 1.1513 0.3548 0.103 Uiso 1 1 calc R . .
Ga24 Ga 0.148233(15) 0.89694(2) 0.296709(18) 0.01814(8) Uani 1 1 d . . .
C29 C 0.19011(13) 0.79150(19) 0.31482(18) 0.0255(6) Uani 1 1 d . . .
H29 H 0.2308 0.8021 0.3397 0.031 Uiso 1 1 calc R . .
C291 C 0.16699(17) 0.7316(2) 0.3599(2) 0.0364(8) Uani 1 1 d . . .
H29A H 0.1258 0.7225 0.3369 0.044 Uiso 1 1 calc R . .
H29B H 0.1729 0.7543 0.4073 0.044 Uiso 1 1 calc R . .
H29C H 0.1877 0.6804 0.3640 0.044 Uiso 1 1 calc R . .
C292 C 0.18537(15) 0.7538(2) 0.2412(2) 0.0347(8) Uani 1 1 d . . .
H29D H 0.2039 0.7007 0.2480 0.042 Uiso 1 1 calc R . .
H29E H 0.2046 0.7889 0.2157 0.042 Uiso 1 1 calc R . .
H29F H 0.1447 0.7479 0.2136 0.042 Uiso 1 1 calc R . .
N21 N 0.04702(10) 0.85875(14) 0.18520(12) 0.0179(5) Uani 1 1 d . . .
C211 C -0.00885(12) 0.82600(17) 0.15543(15) 0.0188(6) Uani 1 1 d . . .
C212 C -0.02405(14) 0.79611(19) 0.08410(16) 0.0247(6) Uani 1 1 d . . .
H212 H 0.0037 0.8006 0.0574 0.030 Uiso 1 1 calc R . .
C213 C -0.07783(15) 0.7606(2) 0.05197(17) 0.0321(7) Uani 1 1 d . . .
H213 H -0.0876 0.7416 0.0029 0.039 Uiso 1 1 calc R . .
C214 C -0.11818(15) 0.7518(2) 0.08953(19) 0.0354(8) Uani 1 1 d . . .
H214 H -0.1556 0.7264 0.0670 0.043 Uiso 1 1 calc R . .
C215 C -0.10383(14) 0.7800(2) 0.15961(18) 0.0305(7) Uani 1 1 d . . .
H215 H -0.1316 0.7743 0.1861 0.037 Uiso 1 1 calc R . .
C216 C -0.04986(13) 0.81659(19) 0.19250(16) 0.0230(6) Uani 1 1 d . . .
H216 H -0.0406 0.8357 0.2415 0.028 Uiso 1 1 calc R . .
N22 N 0.05962(11) 0.89032(15) 0.25908(13) 0.0182(5) Uani 1 1 d . . .
H022 H 0.0512(15) 0.861(2) 0.2839(19) 0.020(9) Uiso 1 1 d . . .
N23 N 0.14928(10) 0.98611(15) 0.36273(13) 0.0199(5) Uani 1 1 d . . .
C231 C 0.14001(13) 0.97100(19) 0.42889(16) 0.0222(6) Uani 1 1 d . . .
C232 C 0.09897(14) 1.0119(2) 0.45444(17) 0.0261(6) Uani 1 1 d . . .
H232 H 0.0744 1.0537 0.4254 0.031 Uiso 1 1 calc R . .
C233 C 0.09352(16) 0.9923(2) 0.52156(18) 0.0338(8) Uani 1 1 d . . .
H233 H 0.0648 1.0209 0.5380 0.041 Uiso 1 1 calc R . .
C234 C 0.12779(18) 0.9335(2) 0.56508(19) 0.0412(9) Uani 1 1 d . . .
H234 H 0.1232 0.9204 0.6113 0.049 Uiso 1 1 calc R . .
C235 C 0.16929(17) 0.8935(2) 0.54066(18) 0.0379(8) Uani 1 1 d . . .
H235 H 0.1939 0.8523 0.5704 0.045 Uiso 1 1 calc R . .
C236 C 0.17578(14) 0.9121(2) 0.47432(17) 0.0285(7) Uani 1 1 d . . .
H236 H 0.2053 0.8842 0.4589 0.034 Uiso 1 1 calc R . .
N24 N 0.11082(11) 1.04825(16) 0.31746(13) 0.0199(5) Uani 1 1 d . . .
H024 H 0.1076(13) 1.088(2) 0.3404(17) 0.011(8) Uiso 1 1 d . . .
N25 N 0.07807(10) 1.10573(15) 0.16974(13) 0.0219(5) Uani 1 1 d . . .
C251 C 0.05354(13) 1.18133(18) 0.14804(15) 0.0199(6) Uani 1 1 d . . .
C252 C 0.09205(13) 1.24761(19) 0.15090(16) 0.0234(6) Uani 1 1 d . . .
H252 H 0.1337 1.2384 0.1692 0.028 Uiso 1 1 calc R . .
C253 C 0.07186(14) 1.32455(19) 0.12840(17) 0.0270(7) Uani 1 1 d . . .
H253 H 0.0993 1.3687 0.1322 0.032 Uiso 1 1 calc R . .
C254 C 0.01151(15) 1.3398(2) 0.09978(17) 0.0292(7) Uani 1 1 d . . .
H254 H -0.0029 1.3936 0.0829 0.035 Uiso 1 1 calc R . .
C255 C -0.02659(14) 1.2756(2) 0.09652(16) 0.0266(7) Uani 1 1 d . . .
H255 H -0.0681 1.2851 0.0767 0.032 Uiso 1 1 calc R . .
C256 C -0.00678(13) 1.19765(19) 0.12100(16) 0.0230(6) Uani 1 1 d . . .
H256 H -0.0346 1.1546 0.1194 0.028 Uiso 1 1 calc R . .
N26 N 0.03831(11) 1.03560(15) 0.16476(13) 0.0198(5) Uani 1 1 d . . .
H026 H 0.0030(17) 1.043(2) 0.130(2) 0.032(10) Uiso 1 1 d . . .
N27 N 0.15246(11) 0.96229(16) 0.21468(13) 0.0198(5) Uani 1 1 d . . .
H027 H 0.1799(16) 0.949(2) 0.2036(19) 0.020(9) Uiso 1 1 d . . .
F1 F 0.25486(14) 0.4950(2) 0.56818(18) 0.0796(9) Uani 1 1 d . . .
F2 F 0.2904(4) 0.3479(5) 0.5808(4) 0.108(3) Uani 0.50 1 d P . .
F6 F 0.2141(2) 0.5568(3) 0.4398(4) 0.0714(18) Uani 0.50 1 d P . .
C1 C 0.25568(18) 0.4508(3) 0.5100(3) 0.0534(11) Uani 1 1 d . . .
C2 C 0.2761(2) 0.3729(3) 0.5181(3) 0.0566(12) Uani 1 1 d . . .
C3 C 0.2784(2) 0.3281(3) 0.4588(3) 0.0559(11) Uani 1 1 d . . .
H3 H 0.2940 0.2732 0.4649 0.067 Uiso 1 1 calc R . .
C4 C 0.25845(18) 0.3619(3) 0.3912(3) 0.0587(12) Uani 1 1 d . . .
H4 H 0.2591 0.3303 0.3496 0.070 Uiso 1 1 calc R . .
C5 C 0.23769(19) 0.4403(4) 0.3830(3) 0.0678(15) Uani 1 1 d . . .
H5 H 0.2242 0.4644 0.3356 0.081 Uiso 1 1 calc R . .
C6 C 0.2360(2) 0.4850(3) 0.4424(3) 0.0663(15) Uani 1 1 d . . .
H2 H 0.2892 0.3484 0.5658 0.080 Uiso 0.50 1 d P . .
H6 H 0.2209 0.5407 0.4367 0.080 Uiso 0.50 1 d P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga -1.2846 0.7763 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N11 Ga11 N17 97.29(10) . . ?
N11 Ga11 C16 127.07(12) . . ?
N17 Ga11 C16 121.16(12) . . ?
N11 Ga11 N16 94.51(10) . . ?
N17 Ga11 N16 92.62(10) . . ?
C16 Ga11 N16 116.35(12) . . ?
C162 C16 C161 110.4(3) . . ?
C162 C16 Ga11 112.1(2) . . ?
C161 C16 Ga11 111.1(2) . . ?
C162 C16 H16 107.7 . . ?
C161 C16 H16 107.7 . . ?
Ga11 C16 H16 107.7 . . ?
C16 C161 H16A 109.5 . . ?
C16 C161 H16B 109.5 . . ?
H16A C161 H16B 109.5 . . ?
C16 C161 H16C 109.5 . . ?
H16A C161 H16C 109.5 . . ?
H16B C161 H16C 109.5 . . ?
C16 C162 H16D 109.5 . . ?
C16 C162 H16E 109.5 . . ?
H16D C162 H16E 109.5 . . ?
C16 C162 H16F 109.5 . . ?
H16D C162 H16F 109.5 . . ?
H16E C162 H16F 109.5 . . ?
N13 Ga12 N17 98.61(10) . . ?
N13 Ga12 C17 125.78(12) . . ?
N17 Ga12 C17 120.48(12) . . ?
N13 Ga12 N12 94.57(10) . . ?
N17 Ga12 N12 92.28(11) . . ?
C17 Ga12 N12 117.64(12) . . ?
C172 C17 C171 111.7(3) . . ?
C172 C17 Ga12 111.0(2) . . ?
C171 C17 Ga12 111.3(2) . . ?
C172 C17 H17 107.6 . . ?
C171 C17 H17 107.6 . . ?
Ga12 C17 H17 107.6 . . ?
C17 C171 H17A 109.5 . . ?
C17 C171 H17B 109.5 . . ?
H17A C171 H17B 109.5 . . ?
C17 C171 H17C 109.5 . . ?
H17A C171 H17C 109.5 . . ?
H17B C171 H17C 109.5 . . ?
C17 C172 H17D 109.5 . . ?
C17 C172 H17E 109.5 . . ?
H17D C172 H17E 109.5 . . ?
C17 C172 H17F 109.5 . . ?
H17D C172 H17F 109.5 . . ?
H17E C172 H17F 109.5 . . ?
N15 Ga13 N17 98.01(10) . . ?
N15 Ga13 C18 130.16(11) . . ?
N17 Ga13 C18 117.29(12) . . ?
N15 Ga13 N14 94.04(10) . . ?
N17 Ga13 N14 93.24(10) . . ?
C18 Ga13 N14 116.21(11) . . ?
C181 C18 C182 110.5(3) . . ?
C181 C18 Ga13 113.6(2) . . ?
C182 C18 Ga13 108.9(2) . . ?
C181 C18 H18 107.9 . . ?
C182 C18 H18 107.9 . . ?
Ga13 C18 H18 107.9 . . ?
C18 C181 H18A 109.5 . . ?
C18 C181 H18B 109.5 . . ?
H18A C181 H18B 109.5 . . ?
C18 C181 H18C 109.5 . . ?
H18A C181 H18C 109.5 . . ?
H18B C181 H18C 109.5 . . ?
C18 C182 H18D 109.5 . . ?
C18 C182 H18E 109.5 . . ?
H18D C182 H18E 109.5 . . ?
C18 C182 H18F 109.5 . . ?
H18D C182 H18F 109.5 . . ?
H18E C182 H18F 109.5 . . ?
C19 Ga14 N14 130.32(11) . . ?
C19 Ga14 N16 118.92(12) . . ?
N14 Ga14 N16 94.24(10) . . ?
C19 Ga14 N12 116.31(12) . . ?
N14 Ga14 N12 94.38(10) . . ?
N16 Ga14 N12 94.92(10) . . ?
C192 C19 C191 111.7(3) . . ?
C192 C19 Ga14 107.9(2) . . ?
C191 C19 Ga14 113.0(2) . . ?
C192 C19 H19 108.0 . . ?
C191 C19 H19 108.0 . . ?
Ga14 C19 H19 108.0 . . ?
C19 C191 H19A 109.5 . . ?
C19 C191 H19B 109.5 . . ?
H19A C191 H19B 109.5 . . ?
C19 C191 H19C 109.5 . . ?
H19A C191 H19C 109.5 . . ?
H19B C191 H19C 109.5 . . ?
C19 C192 H19D 109.5 . . ?
C19 C192 H19E 109.5 . . ?
H19D C192 H19E 109.5 . . ?
C19 C192 H19F 109.5 . . ?
H19D C192 H19F 109.5 . . ?
H19E C192 H19F 109.5 . . ?
C111 N11 N12 118.0(2) . . ?
C111 N11 Ga11 131.9(2) . . ?
N12 N11 Ga11 105.65(17) . . ?
N11 C111 C112 125.1(3) . . ?
N11 C111 C116 117.9(3) . . ?
C112 C111 C116 117.0(3) . . ?
C113 C112 C111 120.4(3) . . ?
C113 C112 H112 119.8 . . ?
C111 C112 H112 119.8 . . ?
C114 C113 C112 122.0(3) . . ?
C114 C113 H113 119.0 . . ?
C112 C113 H113 119.0 . . ?
C113 C114 C115 118.3(3) . . ?
C113 C114 H114 120.9 . . ?
C115 C114 H114 120.9 . . ?
C116 C115 C114 120.6(3) . . ?
C116 C115 H115 119.7 . . ?
C114 C115 H115 119.7 . . ?
C115 C116 C111 121.7(3) . . ?
C115 C116 H116 119.1 . . ?
C111 C116 H116 119.1 . . ?
N11 N12 Ga14 111.21(17) . . ?
N11 N12 Ga12 105.16(16) . . ?
Ga14 N12 Ga12 105.18(11) . . ?
N11 N12 H012 109(3) . . ?
Ga14 N12 H012 121(3) . . ?
Ga12 N12 H012 104(3) . . ?
C131 N13 N14 114.6(2) . . ?
C131 N13 Ga12 124.56(18) . . ?
N14 N13 Ga12 104.43(16) . . ?
N13 C131 C132 124.2(3) . . ?
N13 C131 C136 117.9(3) . . ?
C132 C131 C136 117.7(3) . . ?
C133 C132 C131 120.6(3) . . ?
C133 C132 H132 119.7 . . ?
C131 C132 H132 119.7 . . ?
C134 C133 C132 121.1(3) . . ?
C134 C133 H133 119.5 . . ?
C132 C133 H133 119.5 . . ?
C133 C134 C135 118.7(3) . . ?
C133 C134 H134 120.7 . . ?
C135 C134 H134 120.7 . . ?
C136 C135 C134 121.1(3) . . ?
C136 C135 H135 119.5 . . ?
C134 C135 H135 119.5 . . ?
C135 C136 C131 120.8(3) . . ?
C135 C136 H136 119.6 . . ?
C131 C136 H136 119.6 . . ?
N13 N14 Ga14 113.19(17) . . ?
N13 N14 Ga13 103.48(16) . . ?
Ga14 N14 Ga13 105.54(11) . . ?
N13 N14 H014 108(2) . . ?
Ga14 N14 H014 120(2) . . ?
Ga13 N14 H014 105(2) . . ?
C151 N15 N16 115.5(2) . . ?
C151 N15 Ga13 124.9(2) . . ?
N16 N15 Ga13 104.29(16) . . ?
N15 C151 C156 124.9(3) . . ?
N15 C151 C152 117.4(3) . . ?
C156 C151 C152 117.6(3) . . ?
C153 C152 C151 121.2(3) . . ?
C153 C152 H152 119.4 . . ?
C151 C152 H152 119.4 . . ?
C152 C153 C154 120.9(4) . . ?
C152 C153 H153 119.5 . . ?
C154 C153 H153 119.5 . . ?
C155 C154 C153 118.8(3) . . ?
C155 C154 H154 120.6 . . ?
C153 C154 H154 120.6 . . ?
C154 C155 C156 121.3(4) . . ?
C154 C155 H155 119.4 . . ?
C156 C155 H155 119.4 . . ?
C155 C156 C151 120.2(3) . . ?
C155 C156 H156 119.9 . . ?
C151 C156 H156 119.9 . . ?
N15 N16 Ga14 112.90(17) . . ?
N15 N16 Ga11 104.66(16) . . ?
Ga14 N16 Ga11 105.30(11) . . ?
N15 N16 H016 109(2) . . ?
Ga14 N16 H016 115(2) . . ?
Ga11 N16 H016 109(2) . . ?
Ga11 N17 Ga13 106.40(12) . . ?
Ga11 N17 Ga12 107.40(12) . . ?
Ga13 N17 Ga12 105.28(12) . . ?
Ga11 N17 H017 107(3) . . ?
Ga13 N17 H017 113(3) . . ?
Ga12 N17 H017 117(3) . . ?
N21 Ga21 N27 98.59(10) . . ?
N21 Ga21 C26 124.63(12) . . ?
N27 Ga21 C26 119.16(12) . . ?
N21 Ga21 N26 94.71(10) . . ?
N27 Ga21 N26 92.32(10) . . ?
C26 Ga21 N26 120.31(12) . . ?
C261 C26 C262 111.5(3) . . ?
C261 C26 Ga21 111.5(2) . . ?
C262 C26 Ga21 109.5(2) . . ?
C261 C26 H26 108.1 . . ?
C262 C26 H26 108.1 . . ?
Ga21 C26 H26 108.1 . . ?
C26 C261 H26A 109.5 . . ?
C26 C261 H26B 109.5 . . ?
H26A C261 H26B 109.5 . . ?
C26 C261 H26C 109.5 . . ?
H26A C261 H26C 109.5 . . ?
H26B C261 H26C 109.5 . . ?
C26 C262 H26D 109.5 . . ?
C26 C262 H26E 109.5 . . ?
H26D C262 H26E 109.5 . . ?
C26 C262 H26F 109.5 . . ?
H26D C262 H26F 109.5 . . ?
H26E C262 H26F 109.5 . . ?
C27 Ga22 N22 126.87(12) . . ?
C27 Ga22 N24 119.80(12) . . ?
N22 Ga22 N24 94.42(10) . . ?
C27 Ga22 N26 118.58(12) . . ?
N22 Ga22 N26 94.97(10) . . ?
N24 Ga22 N26 94.95(10) . . ?
C271 C27 C272 111.1(3) . . ?
C271 C27 Ga22 108.6(2) . . ?
C272 C27 Ga22 113.6(2) . . ?
C271 C27 H27 107.8 . . ?
C272 C27 H27 107.8 . . ?
Ga22 C27 H27 107.8 . . ?
C27 C271 H27A 109.5 . . ?
C27 C271 H27B 109.5 . . ?
H27A C271 H27B 109.5 . . ?
C27 C271 H27C 109.5 . . ?
H27A C271 H27C 109.5 . . ?
H27B C271 H27C 109.5 . . ?
C27 C272 H27D 109.5 . . ?
C27 C272 H27E 109.5 . . ?
H27D C272 H27E 109.5 . . ?
C27 C272 H27F 109.5 . . ?
H27D C272 H27F 109.5 . . ?
H27E C272 H27F 109.5 . . ?
N25 Ga23 N27 97.58(10) . . ?
N25 Ga23 C28 126.42(13) . . ?
N27 Ga23 C28 118.60(13) . . ?
N25 Ga23 N24 94.68(10) . . ?
N27 Ga23 N24 92.38(11) . . ?
C28 Ga23 N24 119.69(12) . . ?
C282 C28 C281 116.7(5) . . ?
C282 C28 Ga23 111.9(3) . . ?
C281 C28 Ga23 109.8(3) . . ?
C282 C28 H28 105.8 . . ?
C281 C28 H28 105.8 . . ?
Ga23 C28 H28 105.8 . . ?
C28 C281 H28A 109.5 . . ?
C28 C281 H28B 109.5 . . ?
H28A C281 H28B 109.5 . . ?
C28 C281 H28C 109.5 . . ?
H28A C281 H28C 109.5 . . ?
H28B C281 H28C 109.5 . . ?
C28 C282 H28D 109.5 . . ?
C28 C282 H28E 109.5 . . ?
H28D C282 H28E 109.5 . . ?
C28 C282 H28F 109.5 . . ?
H28D C282 H28F 109.5 . . ?
H28E C282 H28F 109.5 . . ?
N23 Ga24 N27 98.02(11) . . ?
N23 Ga24 C29 129.48(12) . . ?
N27 Ga24 C29 118.24(12) . . ?
N23 Ga24 N22 94.51(10) . . ?
N27 Ga24 N22 92.60(10) . . ?
C29 Ga24 N22 116.01(12) . . ?
C291 C29 C292 110.2(3) . . ?
C291 C29 Ga24 114.0(2) . . ?
C292 C29 Ga24 107.2(2) . . ?
C291 C29 H29 108.4 . . ?
C292 C29 H29 108.4 . . ?
Ga24 C29 H29 108.4 . . ?
C29 C291 H29A 109.5 . . ?
C29 C291 H29B 109.5 . . ?
H29A C291 H29B 109.5 . . ?
C29 C291 H29C 109.5 . . ?
H29A C291 H29C 109.5 . . ?
H29B C291 H29C 109.5 . . ?
C29 C292 H29D 109.5 . . ?
C29 C292 H29E 109.5 . . ?
H29D C292 H29E 109.5 . . ?
C29 C292 H29F 109.5 . . ?
H29D C292 H29F 109.5 . . ?
H29E C292 H29F 109.5 . . ?
C211 N21 N22 115.1(2) . . ?
C211 N21 Ga21 123.24(19) . . ?
N22 N21 Ga21 104.26(16) . . ?
N21 C211 C216 124.6(3) . . ?
N21 C211 C212 117.9(3) . . ?
C216 C211 C212 117.5(3) . . ?
C213 C212 C211 121.1(3) . . ?
C213 C212 H212 119.5 . . ?
C211 C212 H212 119.5 . . ?
C212 C213 C214 120.7(3) . . ?
C212 C213 H213 119.6 . . ?
C214 C213 H213 119.6 . . ?
C215 C214 C213 119.0(3) . . ?
C215 C214 H214 120.5 . . ?
C213 C214 H214 120.5 . . ?
C214 C215 C216 120.9(3) . . ?
C214 C215 H215 119.6 . . ?
C216 C215 H215 119.6 . . ?
C215 C216 C211 120.9(3) . . ?
C215 C216 H216 119.6 . . ?
C211 C216 H216 119.6 . . ?
N21 N22 Ga22 112.64(17) . . ?
N21 N22 Ga24 104.49(16) . . ?
Ga22 N22 Ga24 105.29(11) . . ?
N21 N22 H022 113(3) . . ?
Ga22 N22 H022 115(3) . . ?
Ga24 N22 H022 105(3) . . ?
C231 N23 N24 115.3(2) . . ?
C231 N23 Ga24 120.5(2) . . ?
N24 N23 Ga24 104.04(16) . . ?
N23 C231 C232 124.9(3) . . ?
N23 C231 C236 117.6(3) . . ?
C232 C231 C236 117.5(3) . . ?
C233 C232 C231 120.2(3) . . ?
C233 C232 H232 119.9 . . ?
C231 C232 H232 119.9 . . ?
C234 C233 C232 122.0(3) . . ?
C234 C233 H233 119.0 . . ?
C232 C233 H233 119.0 . . ?
C233 C234 C235 118.2(3) . . ?
C233 C234 H234 120.9 . . ?
C235 C234 H234 120.9 . . ?
C236 C235 C234 121.0(3) . . ?
C236 C235 H235 119.5 . . ?
C234 C235 H235 119.5 . . ?
C235 C236 C231 121.1(3) . . ?
C235 C236 H236 119.5 . . ?
C231 C236 H236 119.5 . . ?
N23 N24 Ga22 113.33(17) . . ?
N23 N24 Ga23 104.45(17) . . ?
Ga22 N24 Ga23 105.08(11) . . ?
N23 N24 H024 112(2) . . ?
Ga22 N24 H024 110(2) . . ?
Ga23 N24 H024 111(2) . . ?
C251 N25 N26 118.0(2) . . ?
C251 N25 Ga23 130.5(2) . . ?
N26 N25 Ga23 105.76(16) . . ?
N25 C251 C256 125.4(3) . . ?
N25 C251 C252 117.5(3) . . ?
C256 C251 C252 117.1(3) . . ?
C253 C252 C251 121.8(3) . . ?
C253 C252 H252 119.1 . . ?
C251 C252 H252 119.1 . . ?
C252 C253 C254 120.7(3) . . ?
C252 C253 H253 119.7 . . ?
C254 C253 H253 119.7 . . ?
C255 C254 C253 118.1(3) . . ?
C255 C254 H254 121.0 . . ?
C253 C254 H254 121.0 . . ?
C254 C255 C256 121.9(3) . . ?
C254 C255 H255 119.1 . . ?
C256 C255 H255 119.1 . . ?
C255 C256 C251 120.4(3) . . ?
C255 C256 H256 119.8 . . ?
C251 C256 H256 119.8 . . ?
N25 N26 Ga22 111.64(17) . . ?
N25 N26 Ga21 104.60(17) . . ?
Ga22 N26 Ga21 104.44(11) . . ?
N25 N26 H026 112(2) . . ?
Ga22 N26 H026 114(2) . . ?
Ga21 N26 H026 109(2) . . ?
Ga23 N27 Ga24 106.50(12) . . ?
Ga23 N27 Ga21 107.33(12) . . ?
Ga24 N27 Ga21 106.11(12) . . ?
Ga23 N27 H027 116(3) . . ?
Ga24 N27 H027 110(3) . . ?
Ga21 N27 H027 111(3) . . ?
C2 F2 H2 20.6 . . ?
C6 F6 H6 16.6 . . ?
F1 C1 C2 120.1(4) . . ?
F1 C1 C6 119.9(5) . . ?
C2 C1 C6 119.9(5) . . ?
F2 C2 C1 114.0(6) . . ?
F2 C2 C3 125.7(6) . . ?
C1 C2 C3 120.3(4) . . ?
F2 C2 H2 5.9 . . ?
C1 C2 H2 119.8 . . ?
C3 C2 H2 119.9 . . ?
C4 C3 C2 119.9(5) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C5 C4 C3 119.8(5) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 120.1(5) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
F6 C6 C1 115.3(6) . . ?
F6 C6 C5 124.7(6) . . ?
C1 C6 C5 120.0(5) . . ?
F6 C6 H6 5.4 . . ?
C1 C6 H6 119.7 . . ?
C5 C6 H6 120.4 . . ?
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
Ga11 N11 1.921(2) . ?
Ga11 N17 1.944(3) . ?
Ga11 C16 1.956(3) . ?
Ga11 N16 2.006(2) . ?
C16 C162 1.511(5) . ?
C16 C161 1.525(5) . ?
C16 H16 0.9600 . ?
C161 H16A 0.9599 . ?
C161 H16B 0.9599 . ?
C161 H16C 0.9599 . ?
C162 H16D 0.9599 . ?
C162 H16E 0.9599 . ?
C162 H16F 0.9599 . ?
Ga12 N13 1.931(2) . ?
Ga12 N17 1.949(2) . ?
Ga12 C17 1.961(3) . ?
Ga12 N12 2.009(2) . ?
C17 C172 1.519(5) . ?
C17 C171 1.523(5) . ?
C17 H17 0.9600 . ?
C171 H17A 0.9599 . ?
C171 H17B 0.9599 . ?
C171 H17C 0.9599 . ?
C172 H17D 0.9599 . ?
C172 H17E 0.9599 . ?
C172 H17F 0.9599 . ?
Ga13 N15 1.925(2) . ?
Ga13 N17 1.948(2) . ?
Ga13 C18 1.967(3) . ?
Ga13 N14 2.015(2) . ?
C18 C181 1.522(4) . ?
C18 C182 1.527(4) . ?
C18 H18 0.9600 . ?
C181 H18A 0.9599 . ?
C181 H18B 0.9599 . ?
C181 H18C 0.9599 . ?
C182 H18D 0.9599 . ?
C182 H18E 0.9599 . ?
C182 H18F 0.9599 . ?
Ga14 C19 1.961(3) . ?
Ga14 N14 1.984(2) . ?
Ga14 N16 1.993(2) . ?
Ga14 N12 2.003(2) . ?
C19 C192 1.516(4) . ?
C19 C191 1.521(5) . ?
C19 H19 0.9600 . ?
C191 H19A 0.9599 . ?
C191 H19B 0.9599 . ?
C191 H19C 0.9599 . ?
C192 H19D 0.9599 . ?
C192 H19E 0.9599 . ?
C192 H19F 0.9599 . ?
N11 C111 1.372(4) . ?
N11 N12 1.461(3) . ?
C111 C112 1.400(4) . ?
C111 C116 1.406(4) . ?
C112 C113 1.388(4) . ?
C112 H112 0.9600 . ?
C113 C114 1.366(5) . ?
C113 H113 0.9600 . ?
C114 C115 1.396(5) . ?
C114 H114 0.9600 . ?
C115 C116 1.371(4) . ?
C115 H115 0.9600 . ?
C116 H116 0.9600 . ?
N12 H012 0.77(4) . ?
N13 C131 1.386(4) . ?
N13 N14 1.466(3) . ?
C131 C132 1.395(4) . ?
C131 C136 1.406(4) . ?
C132 C133 1.386(4) . ?
C132 H132 0.9600 . ?
C133 C134 1.380(5) . ?
C133 H133 0.9600 . ?
C134 C135 1.384(5) . ?
C134 H134 0.9600 . ?
C135 C136 1.373(4) . ?
C135 H135 0.9600 . ?
C136 H136 0.9600 . ?
N14 H014 0.95(4) . ?
N15 C151 1.384(4) . ?
N15 N16 1.467(3) . ?
C151 C156 1.398(4) . ?
C151 C152 1.404(4) . ?
C152 C153 1.370(5) . ?
C152 H152 0.9600 . ?
C153 C154 1.378(6) . ?
C153 H153 0.9600 . ?
C154 C155 1.379(6) . ?
C154 H154 0.9600 . ?
C155 C156 1.386(5) . ?
C155 H155 0.9600 . ?
C156 H156 0.9600 . ?
N16 H016 0.84(3) . ?
N17 H017 0.77(4) . ?
Ga21 N21 1.928(2) . ?
Ga21 N27 1.946(2) . ?
Ga21 C26 1.956(3) . ?
Ga21 N26 2.017(2) . ?
C26 C261 1.518(5) . ?
C26 C262 1.527(5) . ?
C26 H26 0.9600 . ?
C261 H26A 0.9599 . ?
C261 H26B 0.9599 . ?
C261 H26C 0.9599 . ?
C262 H26D 0.9599 . ?
C262 H26E 0.9599 . ?
C262 H26F 0.9599 . ?
Ga22 C27 1.965(3) . ?
Ga22 N22 1.983(2) . ?
Ga22 N24 1.996(2) . ?
Ga22 N26 2.000(2) . ?
C27 C271 1.516(4) . ?
C27 C272 1.518(4) . ?
C27 H27 0.9600 . ?
C271 H27A 0.9599 . ?
C271 H27B 0.9599 . ?
C271 H27C 0.9599 . ?
C272 H27D 0.9599 . ?
C272 H27E 0.9599 . ?
C272 H27F 0.9599 . ?
Ga23 N25 1.912(2) . ?
Ga23 N27 1.943(3) . ?
Ga23 C28 1.957(3) . ?
Ga23 N24 2.011(3) . ?
C28 C282 1.475(6) . ?
C28 C281 1.480(6) . ?
C28 H28 0.9600 . ?
C281 H28A 0.9599 . ?
C281 H28B 0.9599 . ?
C281 H28C 0.9599 . ?
C282 H28D 0.9599 . ?
C282 H28E 0.9599 . ?
C282 H28F 0.9599 . ?
Ga24 N23 1.930(2) . ?
Ga24 N27 1.943(2) . ?
Ga24 C29 1.962(3) . ?
Ga24 N22 2.019(2) . ?
C29 C291 1.522(4) . ?
C29 C292 1.527(5) . ?
C29 H29 0.9600 . ?
C291 H29A 0.9599 . ?
C291 H29B 0.9599 . ?
C291 H29C 0.9599 . ?
C292 H29D 0.9599 . ?
C292 H29E 0.9599 . ?
C292 H29F 0.9599 . ?
N21 C211 1.388(4) . ?
N21 N22 1.465(3) . ?
C211 C216 1.391(4) . ?
C211 C212 1.406(4) . ?
C212 C213 1.372(4) . ?
C212 H212 0.9600 . ?
C213 C214 1.383(5) . ?
C213 H213 0.9600 . ?
C214 C215 1.375(5) . ?
C214 H214 0.9600 . ?
C215 C216 1.385(4) . ?
C215 H215 0.9600 . ?
C216 H216 0.9600 . ?
N22 H022 0.74(4) . ?
N23 C231 1.390(4) . ?
N23 N24 1.464(3) . ?
C231 C232 1.396(4) . ?
C231 C236 1.401(4) . ?
C232 C233 1.386(5) . ?
C232 H232 0.9600 . ?
C233 C234 1.369(5) . ?
C233 H233 0.9600 . ?
C234 C235 1.386(6) . ?
C234 H234 0.9600 . ?
C235 C236 1.377(5) . ?
C235 H235 0.9600 . ?
C236 H236 0.9600 . ?
N24 H024 0.80(3) . ?
N25 C251 1.372(4) . ?
N25 N26 1.469(3) . ?
C251 C256 1.399(4) . ?
C251 C252 1.407(4) . ?
C252 C253 1.364(4) . ?
C252 H252 0.9600 . ?
C253 C254 1.399(5) . ?
C253 H253 0.9600 . ?
C254 C255 1.374(5) . ?
C254 H254 0.9600 . ?
C255 C256 1.386(4) . ?
C255 H255 0.9600 . ?
C256 H256 0.9600 . ?
N26 H026 0.91(4) . ?
N27 H027 0.78(4) . ?
F1 C1 1.345(6) . ?
F2 C2 1.228(8) . ?
F2 H2 0.2843 . ?
F6 C6 1.274(7) . ?
F6 H6 0.3230 . ?
C1 C2 1.350(7) . ?
C1 C6 1.368(7) . ?
C2 C3 1.378(7) . ?
C2 H2 0.9666 . ?
C3 C4 1.366(6) . ?
C3 H3 0.9600 . ?
C4 C5 1.360(7) . ?
C4 H4 0.9600 . ?
C5 C6 1.374(8) . ?
C5 H5 0.9600 . ?
C6 H6 0.9692 . ?
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
N11 Ga11 C16 C162 -87.3(3) . . . . ?
N17 Ga11 C16 C162 42.7(3) . . . . ?
N16 Ga11 C16 C162 153.7(2) . . . . ?
N11 Ga11 C16 C161 148.7(2) . . . . ?
N17 Ga11 C16 C161 -81.3(3) . . . . ?
N16 Ga11 C16 C161 29.7(3) . . . . ?
N13 Ga12 C17 C172 -87.0(3) . . . . ?
N17 Ga12 C17 C172 42.6(3) . . . . ?
N12 Ga12 C17 C172 153.7(2) . . . . ?
N13 Ga12 C17 C171 148.0(2) . . . . ?
N17 Ga12 C17 C171 -82.4(3) . . . . ?
N12 Ga12 C17 C171 28.8(3) . . . . ?
N15 Ga13 C18 C181 73.1(3) . . . . ?
N17 Ga13 C18 C181 -157.1(2) . . . . ?
N14 Ga13 C18 C181 -48.2(3) . . . . ?
N15 Ga13 C18 C182 -163.39(19) . . . . ?
N17 Ga13 C18 C182 -33.6(3) . . . . ?
N14 Ga13 C18 C182 75.4(2) . . . . ?
N14 Ga14 C19 C192 165.39(18) . . . . ?
N16 Ga14 C19 C192 40.0(3) . . . . ?
N12 Ga14 C19 C192 -72.5(2) . . . . ?
N14 Ga14 C19 C191 -70.5(3) . . . . ?
N16 Ga14 C19 C191 164.1(2) . . . . ?
N12 Ga14 C19 C191 51.6(3) . . . . ?
N17 Ga11 N11 C111 -164.3(3) . . . . ?
C16 Ga11 N11 C111 -25.7(3) . . . . ?
N16 Ga11 N11 C111 102.5(3) . . . . ?
N17 Ga11 N11 N12 40.70(18) . . . . ?
C16 Ga11 N11 N12 179.33(16) . . . . ?
N16 Ga11 N11 N12 -52.53(18) . . . . ?
N12 N11 C111 C112 0.9(4) . . . . ?
Ga11 N11 C111 C112 -151.6(2) . . . . ?
N12 N11 C111 C116 -177.2(2) . . . . ?
Ga11 N11 C111 C116 30.3(4) . . . . ?
N11 C111 C112 C113 -176.5(3) . . . . ?
C116 C111 C112 C113 1.6(4) . . . . ?
C111 C112 C113 C114 -1.7(5) . . . . ?
C112 C113 C114 C115 0.6(5) . . . . ?
C113 C114 C115 C116 0.5(5) . . . . ?
C114 C115 C116 C111 -0.6(5) . . . . ?
N11 C111 C116 C115 177.8(3) . . . . ?
C112 C111 C116 C115 -0.5(4) . . . . ?
C111 N11 N12 Ga14 -105.6(2) . . . . ?
Ga11 N11 N12 Ga14 53.50(19) . . . . ?
C111 N11 N12 Ga12 141.0(2) . . . . ?
Ga11 N11 N12 Ga12 -59.84(17) . . . . ?
C19 Ga14 N12 N11 97.9(2) . . . . ?
N14 Ga14 N12 N11 -122.53(18) . . . . ?
N16 Ga14 N12 N11 -27.88(19) . . . . ?
C19 Ga14 N12 Ga12 -148.82(12) . . . . ?
N14 Ga14 N12 Ga12 -9.20(12) . . . . ?
N16 Ga14 N12 Ga12 85.45(12) . . . . ?
N13 Ga12 N12 N11 149.84(17) . . . . ?
N17 Ga12 N12 N11 51.01(18) . . . . ?
C17 Ga12 N12 N11 -75.4(2) . . . . ?
N13 Ga12 N12 Ga14 32.33(12) . . . . ?
N17 Ga12 N12 Ga14 -66.50(12) . . . . ?
C17 Ga12 N12 Ga14 167.07(12) . . . . ?
N17 Ga12 N13 C131 175.3(2) . . . . ?
C17 Ga12 N13 C131 -46.8(3) . . . . ?
N12 Ga12 N13 C131 82.3(2) . . . . ?
N17 Ga12 N13 N14 41.02(18) . . . . ?
C17 Ga12 N13 N14 178.87(17) . . . . ?
N12 Ga12 N13 N14 -51.99(17) . . . . ?
N14 N13 C131 C132 -1.9(4) . . . . ?
Ga12 N13 C131 C132 -132.3(2) . . . . ?
N14 N13 C131 C136 -178.0(2) . . . . ?
Ga12 N13 C131 C136 51.7(3) . . . . ?
N13 C131 C132 C133 -176.4(3) . . . . ?
C136 C131 C132 C133 -0.4(4) . . . . ?
C131 C132 C133 C134 0.1(5) . . . . ?
C132 C133 C134 C135 -0.2(5) . . . . ?
C133 C134 C135 C136 0.7(5) . . . . ?
C134 C135 C136 C131 -1.0(5) . . . . ?
N13 C131 C136 C135 177.2(3) . . . . ?
C132 C131 C136 C135 0.9(5) . . . . ?
C131 N13 N14 Ga14 -86.7(2) . . . . ?
Ga12 N13 N14 Ga14 52.95(18) . . . . ?
C131 N13 N14 Ga13 159.61(19) . . . . ?
Ga12 N13 N14 Ga13 -60.78(16) . . . . ?
C19 Ga14 N14 N13 103.3(2) . . . . ?
N16 Ga14 N14 N13 -122.41(18) . . . . ?
N12 Ga14 N14 N13 -27.13(18) . . . . ?
C19 Ga14 N14 Ga13 -144.26(13) . . . . ?
N16 Ga14 N14 Ga13 -9.93(12) . . . . ?
N12 Ga14 N14 Ga13 85.35(11) . . . . ?
N15 Ga13 N14 N13 152.47(16) . . . . ?
N17 Ga13 N14 N13 54.19(17) . . . . ?
C18 Ga13 N14 N13 -68.48(19) . . . . ?
N15 Ga13 N14 Ga14 33.32(12) . . . . ?
N17 Ga13 N14 Ga14 -64.95(12) . . . . ?
C18 Ga13 N14 Ga14 172.38(11) . . . . ?
N17 Ga13 N15 C151 177.3(2) . . . . ?
C18 Ga13 N15 C151 -46.3(3) . . . . ?
N14 Ga13 N15 C151 83.4(2) . . . . ?
N17 Ga13 N15 N16 41.23(17) . . . . ?
C18 Ga13 N15 N16 177.66(16) . . . . ?
N14 Ga13 N15 N16 -52.62(17) . . . . ?
N16 N15 C151 C156 -5.2(4) . . . . ?
Ga13 N15 C151 C156 -137.0(3) . . . . ?
N16 N15 C151 C152 177.9(2) . . . . ?
Ga13 N15 C151 C152 46.1(3) . . . . ?
N15 C151 C152 C153 179.0(3) . . . . ?
C156 C151 C152 C153 1.8(5) . . . . ?
C151 C152 C153 C154 -1.4(6) . . . . ?
C152 C153 C154 C155 0.4(6) . . . . ?
C153 C154 C155 C156 0.1(7) . . . . ?
C154 C155 C156 C151 0.4(6) . . . . ?
N15 C151 C156 C155 -178.2(3) . . . . ?
C152 C151 C156 C155 -1.3(5) . . . . ?
C151 N15 N16 Ga14 -87.6(2) . . . . ?
Ga13 N15 N16 Ga14 53.23(18) . . . . ?
C151 N15 N16 Ga11 158.38(19) . . . . ?
Ga13 N15 N16 Ga11 -60.77(16) . . . . ?
C19 Ga14 N16 N15 114.74(19) . . . . ?
N14 Ga14 N16 N15 -26.72(18) . . . . ?
N12 Ga14 N16 N15 -121.49(18) . . . . ?
C19 Ga14 N16 Ga11 -131.65(13) . . . . ?
N14 Ga14 N16 Ga11 86.89(11) . . . . ?
N12 Ga14 N16 Ga11 -7.88(12) . . . . ?
N11 Ga11 N16 N15 150.41(16) . . . . ?
N17 Ga11 N16 N15 52.88(17) . . . . ?
C16 Ga11 N16 N15 -74.04(19) . . . . ?
N11 Ga11 N16 Ga14 31.16(12) . . . . ?
N17 Ga11 N16 Ga14 -66.36(12) . . . . ?
C16 Ga11 N16 Ga14 166.71(12) . . . . ?
N11 Ga11 N17 Ga13 -116.89(12) . . . . ?
C16 Ga11 N17 Ga13 101.15(15) . . . . ?
N16 Ga11 N17 Ga13 -22.00(12) . . . . ?
N11 Ga11 N17 Ga12 -4.54(13) . . . . ?
C16 Ga11 N17 Ga12 -146.50(13) . . . . ?
N16 Ga11 N17 Ga12 90.35(12) . . . . ?
N15 Ga13 N17 Ga11 -4.36(13) . . . . ?
C18 Ga13 N17 Ga11 -148.01(12) . . . . ?
N14 Ga13 N17 Ga11 90.19(12) . . . . ?
N15 Ga13 N17 Ga12 -118.16(12) . . . . ?
C18 Ga13 N17 Ga12 98.19(14) . . . . ?
N14 Ga13 N17 Ga12 -23.62(12) . . . . ?
N13 Ga12 N17 Ga11 -116.04(12) . . . . ?
C17 Ga12 N17 Ga11 103.13(15) . . . . ?
N12 Ga12 N17 Ga11 -21.07(12) . . . . ?
N13 Ga12 N17 Ga13 -2.94(13) . . . . ?
C17 Ga12 N17 Ga13 -143.76(13) . . . . ?
N12 Ga12 N17 Ga13 92.03(12) . . . . ?
N21 Ga21 C26 C261 163.4(2) . . . . ?
N27 Ga21 C26 C261 -70.2(3) . . . . ?
N26 Ga21 C26 C261 42.1(3) . . . . ?
N21 Ga21 C26 C262 -72.8(3) . . . . ?
N27 Ga21 C26 C262 53.6(3) . . . . ?
N26 Ga21 C26 C262 165.9(2) . . . . ?
N22 Ga22 C27 C271 161.54(19) . . . . ?
N24 Ga22 C27 C271 38.8(3) . . . . ?
N26 Ga22 C27 C271 -76.3(2) . . . . ?
N22 Ga22 C27 C272 -74.4(3) . . . . ?
N24 Ga22 C27 C272 162.9(2) . . . . ?
N26 Ga22 C27 C272 47.7(3) . . . . ?
N25 Ga23 C28 C282 157.5(4) . . . . ?
N27 Ga23 C28 C282 -76.4(4) . . . . ?
N24 Ga23 C28 C282 35.0(4) . . . . ?
N25 Ga23 C28 C281 -71.1(4) . . . . ?
N27 Ga23 C28 C281 55.0(4) . . . . ?
N24 Ga23 C28 C281 166.4(4) . . . . ?
N23 Ga24 C29 C291 71.2(3) . . . . ?
N27 Ga24 C29 C291 -158.4(2) . . . . ?
N22 Ga24 C29 C291 -49.8(3) . . . . ?
N23 Ga24 C29 C292 -166.49(19) . . . . ?
N27 Ga24 C29 C292 -36.1(2) . . . . ?
N22 Ga24 C29 C292 72.5(2) . . . . ?
N27 Ga21 N21 C211 174.0(2) . . . . ?
C26 Ga21 N21 C211 -51.3(3) . . . . ?
N26 Ga21 N21 C211 80.9(2) . . . . ?
N27 Ga21 N21 N22 40.36(18) . . . . ?
C26 Ga21 N21 N22 175.04(17) . . . . ?
N26 Ga21 N21 N22 -52.72(17) . . . . ?
N22 N21 C211 C216 -4.8(4) . . . . ?
Ga21 N21 C211 C216 -134.1(3) . . . . ?
N22 N21 C211 C212 178.8(2) . . . . ?
Ga21 N21 C211 C212 49.5(3) . . . . ?
N21 C211 C212 C213 178.0(3) . . . . ?
C216 C211 C212 C213 1.3(5) . . . . ?
C211 C212 C213 C214 -1.2(5) . . . . ?
C212 C213 C214 C215 0.6(5) . . . . ?
C213 C214 C215 C216 -0.1(5) . . . . ?
C214 C215 C216 C211 0.2(5) . . . . ?
N21 C211 C216 C215 -177.2(3) . . . . ?
C212 C211 C216 C215 -0.8(4) . . . . ?
C211 N21 N22 Ga22 -84.5(2) . . . . ?
Ga21 N21 N22 Ga22 53.55(18) . . . . ?
C211 N21 N22 Ga24 161.72(19) . . . . ?
Ga21 N21 N22 Ga24 -60.21(16) . . . . ?
C27 Ga22 N22 N21 104.1(2) . . . . ?
N24 Ga22 N22 N21 -122.96(18) . . . . ?
N26 Ga22 N22 N21 -27.59(19) . . . . ?
C27 Ga22 N22 Ga24 -142.61(13) . . . . ?
N24 Ga22 N22 Ga24 -9.69(12) . . . . ?
N26 Ga22 N22 Ga24 85.68(12) . . . . ?
N23 Ga24 N22 N21 151.78(17) . . . . ?
N27 Ga24 N22 N21 53.52(17) . . . . ?
C29 Ga24 N22 N21 -69.8(2) . . . . ?
N23 Ga24 N22 Ga22 32.90(12) . . . . ?
N27 Ga24 N22 Ga22 -65.35(12) . . . . ?
C29 Ga24 N22 Ga22 171.34(12) . . . . ?
N27 Ga24 N23 C231 172.4(2) . . . . ?
C29 Ga24 N23 C231 -50.3(3) . . . . ?
N22 Ga24 N23 C231 79.1(2) . . . . ?
N27 Ga24 N23 N24 41.21(18) . . . . ?
C29 Ga24 N23 N24 178.53(17) . . . . ?
N22 Ga24 N23 N24 -52.06(17) . . . . ?
N24 N23 C231 C232 -2.0(4) . . . . ?
Ga24 N23 C231 C232 -128.1(3) . . . . ?
N24 N23 C231 C236 -179.9(2) . . . . ?
Ga24 N23 C231 C236 53.9(3) . . . . ?
N23 C231 C232 C233 -179.6(3) . . . . ?
C236 C231 C232 C233 -1.7(4) . . . . ?
C231 C232 C233 C234 0.4(5) . . . . ?
C232 C233 C234 C235 0.6(6) . . . . ?
C233 C234 C235 C236 -0.3(6) . . . . ?
C234 C235 C236 C231 -1.0(6) . . . . ?
N23 C231 C236 C235 -179.9(3) . . . . ?
C232 C231 C236 C235 2.0(5) . . . . ?
C231 N23 N24 Ga22 -81.4(3) . . . . ?
Ga24 N23 N24 Ga22 52.77(19) . . . . ?
C231 N23 N24 Ga23 164.82(19) . . . . ?
Ga24 N23 N24 Ga23 -61.04(16) . . . . ?
C27 Ga22 N24 N23 110.7(2) . . . . ?
N22 Ga22 N24 N23 -26.8(2) . . . . ?
N26 Ga22 N24 N23 -122.21(19) . . . . ?
C27 Ga22 N24 Ga23 -135.86(13) . . . . ?
N22 Ga22 N24 Ga23 86.60(12) . . . . ?
N26 Ga22 N24 Ga23 -8.78(12) . . . . ?
N25 Ga23 N24 N23 151.40(17) . . . . ?
N27 Ga23 N24 N23 53.59(17) . . . . ?
C28 Ga23 N24 N23 -71.5(2) . . . . ?
N25 Ga23 N24 Ga22 31.87(13) . . . . ?
N27 Ga23 N24 Ga22 -65.94(12) . . . . ?
C28 Ga23 N24 Ga22 168.95(14) . . . . ?
N27 Ga23 N25 C251 -167.3(3) . . . . ?
C28 Ga23 N25 C251 -33.0(3) . . . . ?
N24 Ga23 N25 C251 99.6(3) . . . . ?
N27 Ga23 N25 N26 40.77(19) . . . . ?
C28 Ga23 N25 N26 175.07(18) . . . . ?
N24 Ga23 N25 N26 -52.26(18) . . . . ?
N26 N25 C251 C256 -0.2(4) . . . . ?
Ga23 N25 C251 C256 -149.3(2) . . . . ?
N26 N25 C251 C252 -178.1(2) . . . . ?
Ga23 N25 C251 C252 32.8(4) . . . . ?
N25 C251 C252 C253 178.0(3) . . . . ?
C256 C251 C252 C253 0.0(4) . . . . ?
C251 C252 C253 C254 -1.6(5) . . . . ?
C252 C253 C254 C255 1.4(5) . . . . ?
C253 C254 C255 C256 0.4(5) . . . . ?
C254 C255 C256 C251 -2.0(5) . . . . ?
N25 C251 C256 C255 -176.0(3) . . . . ?
C252 C251 C256 C255 1.8(4) . . . . ?
C251 N25 N26 Ga22 -103.5(2) . . . . ?
Ga23 N25 N26 Ga22 52.60(19) . . . . ?
C251 N25 N26 Ga21 144.2(2) . . . . ?
Ga23 N25 N26 Ga21 -59.77(17) . . . . ?
C27 Ga22 N26 N25 101.40(19) . . . . ?
N22 Ga22 N26 N25 -121.46(18) . . . . ?
N24 Ga22 N26 N25 -26.57(19) . . . . ?
C27 Ga22 N26 Ga21 -146.13(12) . . . . ?
N22 Ga22 N26 Ga21 -8.98(12) . . . . ?
N24 Ga22 N26 Ga21 85.90(12) . . . . ?
N21 Ga21 N26 N25 149.88(16) . . . . ?
N27 Ga21 N26 N25 51.06(17) . . . . ?
C26 Ga21 N26 N25 -75.0(2) . . . . ?
N21 Ga21 N26 Ga22 32.45(12) . . . . ?
N27 Ga21 N26 Ga22 -66.37(12) . . . . ?
C26 Ga21 N26 Ga22 167.57(12) . . . . ?
N25 Ga23 N27 Ga24 -117.62(12) . . . . ?
C28 Ga23 N27 Ga24 103.38(15) . . . . ?
N24 Ga23 N27 Ga24 -22.58(12) . . . . ?
N25 Ga23 N27 Ga21 -4.31(14) . . . . ?
C28 Ga23 N27 Ga21 -143.31(14) . . . . ?
N24 Ga23 N27 Ga21 90.73(12) . . . . ?
N23 Ga24 N27 Ga23 -3.85(13) . . . . ?
C29 Ga24 N27 Ga23 -147.41(13) . . . . ?
N22 Ga24 N27 Ga23 91.08(12) . . . . ?
N23 Ga24 N27 Ga21 -117.99(12) . . . . ?
C29 Ga24 N27 Ga21 98.45(15) . . . . ?
N22 Ga24 N27 Ga21 -23.06(13) . . . . ?
N21 Ga21 N27 Ga23 -116.59(12) . . . . ?
C26 Ga21 N27 Ga23 105.48(15) . . . . ?
N26 Ga21 N27 Ga23 -21.47(13) . . . . ?
N21 Ga21 N27 Ga24 -3.02(14) . . . . ?
C26 Ga21 N27 Ga24 -140.95(14) . . . . ?
N26 Ga21 N27 Ga24 92.10(13) . . . . ?
F1 C1 C2 F2 3.0(8) . . . . ?
C6 C1 C2 F2 -177.3(6) . . . . ?
F1 C1 C2 C3 -178.3(4) . . . . ?
C6 C1 C2 C3 1.4(7) . . . . ?
F2 C2 C3 C4 176.7(7) . . . . ?
C1 C2 C3 C4 -1.8(7) . . . . ?
C2 C3 C4 C5 1.6(7) . . . . ?
C3 C4 C5 C6 -1.0(7) . . . . ?
F1 C1 C6 F6 -4.5(7) . . . . ?
C2 C1 C6 F6 175.7(5) . . . . ?
F1 C1 C6 C5 179.0(4) . . . . ?
C2 C1 C6 C5 -0.8(7) . . . . ?
C4 C5 C6 F6 -175.6(5) . . . . ?
C4 C5 C6 C1 0.6(7) . . . . ?
