#------------------------------------------------------------------------------
#$Date: 2023-05-05 02:00:46 +0200 (Fri 05 de May de 2023) $
#$Revision: 283016 $
#$URL: svn://www.crystallography.net/cod/cif/7/13/11/7131136.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_7131136
loop_
_publ_author_name
'Barthélemy, Antoine'
'Scherer, Harald'
'Weller, Hanna'
'Krossing, Ingo'
_publ_section_title
;
 How long are Ga⇆Ga double bonds and Ga-Ga single bonds in
 dicationic gallium dimers?
;
_journal_issue                   10
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              1353
_journal_page_last               1356
_journal_paper_doi               10.1039/d2cc06377h
_journal_volume                  59
_journal_year                    2023
_chemical_formula_moiety         'C74 H60 Ga2 P4, 2(C16 Al F36 O4)'
_chemical_formula_sum            'C106 H60 Al2 F72 Ga2 O8 P4'
_chemical_formula_weight         3146.82
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method
;FinalCif V110 by Daniel Kratzert, Freiburg 2022,
https://dkratzert.de/finalcif.html
;
_audit_update_record
;
2022-11-16 deposited with the CCDC.	2022-12-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.211(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.9476(12)
_cell_length_b                   11.0312(8)
_cell_length_c                   33.773(3)
_cell_measurement_reflns_used    9830
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.5055
_cell_measurement_theta_min      2.416
_cell_volume                     5807.0(8)
_computing_cell_refinement       'SAINT V8.38A'
_computing_data_collection       'Bruker BIS V6.2.14/2020-04-30'
_computing_data_reduction        'SAINT V8.38A'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0279
_diffrn_reflns_av_unetI/netI     0.0097
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_limit_l_min       -48
_diffrn_reflns_number            348234
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.557
_diffrn_reflns_theta_min         1.306
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    0.707
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6873
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction:
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48
(2015) 3-10
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.800
_exptl_crystal_description       block
_exptl_crystal_F_000             3112
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: ortho-difluorobenzene'
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.699
_refine_diff_density_min         -0.409
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1001
_refine_ls_number_reflns         17782
_refine_ls_number_restraints     4516
_refine_ls_restrained_S_all      0.988
_refine_ls_R_factor_all          0.0292
_refine_ls_R_factor_gt           0.0282
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0359P)²+3.4736P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0746
_refine_ls_wR_factor_ref         0.0754
_reflns_Friedel_coverage         0.000
_reflns_number_gt                17083
_reflns_number_total             17782
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc06377h2.cif
_cod_data_source_block           P21c_a
_cod_depositor_comments
'Adding full bibliography for 7131134--7131136.cif.'
_cod_original_cell_volume        5807.0(7)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7131136
_shelx_shelxl_version_number     2019/1
_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.
;
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
loop_
_space_group_symop_operation_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_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 0.41837(2) 0.51011(2) 0.50433(2) 0.01807(3) Uani 1 1 d . . . . .
P1 P 0.36858(2) 0.70258(2) 0.43376(2) 0.01151(5) Uani 1 1 d . . . . .
C1 C 0.33250(6) 0.58567(9) 0.45907(3) 0.01233(16) Uani 1 1 d . . . . .
Al1 Al 0.21547(2) 0.67759(3) 0.17134(2) 0.01222(6) Uani 1 1 d . . . . .
P2 P 0.24559(2) 0.49626(2) 0.44001(2) 0.01149(5) Uani 1 1 d . . . . .
C1A C 0.45764(6) 0.77370(9) 0.46826(3) 0.01397(17) Uani 1 1 d . . . . .
C2A C 0.45844(7) 0.77887(10) 0.50983(3) 0.01661(18) Uani 1 1 d . . . . .
H2A H 0.412647 0.744134 0.519942 0.020 Uiso 1 1 calc R U . . .
C3A C 0.52628(7) 0.83485(11) 0.53635(3) 0.0203(2) Uani 1 1 d . . . . .
H3A H 0.527375 0.836035 0.564577 0.024 Uiso 1 1 calc R U . . .
C4A C 0.59224(7) 0.88885(11) 0.52168(4) 0.0229(2) Uani 1 1 d . . . . .
H4A H 0.639058 0.925251 0.539880 0.027 Uiso 1 1 calc R U . . .
C5A C 0.58957(7) 0.88950(12) 0.48025(4) 0.0230(2) Uani 1 1 d . . . . .
H5A H 0.633501 0.929300 0.470101 0.028 Uiso 1 1 calc R U . . .
C6A C 0.52286(7) 0.83214(11) 0.45356(3) 0.01908(19) Uani 1 1 d . . . . .
H6A H 0.521582 0.832637 0.425306 0.023 Uiso 1 1 calc R U . . .
C1B C 0.40570(6) 0.65807(9) 0.38891(3) 0.01455(17) Uani 1 1 d . . . . .
C2B C 0.34824(7) 0.65180(10) 0.35134(3) 0.01715(18) Uani 1 1 d . . . . .
H2B H 0.291682 0.682699 0.348530 0.021 Uiso 1 1 calc R U . . .
C3B C 0.37363(7) 0.60057(12) 0.31818(3) 0.0216(2) Uani 1 1 d . . . . .
H3B H 0.334515 0.597188 0.292726 0.026 Uiso 1 1 calc R U . . .
C4B C 0.45600(8) 0.55426(13) 0.32206(3) 0.0256(2) Uani 1 1 d . . . . .
H4B H 0.473094 0.519150 0.299329 0.031 Uiso 1 1 calc R U . . .
C5B C 0.51325(8) 0.55936(13) 0.35921(4) 0.0252(2) Uani 1 1 d . . . . .
H5B H 0.569467 0.527327 0.361872 0.030 Uiso 1 1 calc R U . . .
C6B C 0.48875(7) 0.61107(11) 0.39251(3) 0.0195(2) Uani 1 1 d . . . . .
H6B H 0.528344 0.614650 0.417815 0.023 Uiso 1 1 calc R U . . .
C1C C 0.29210(6) 0.82373(9) 0.41931(3) 0.01314(16) Uani 1 1 d . . . . .
C2C C 0.23126(6) 0.84293(9) 0.44302(3) 0.01495(17) Uani 1 1 d . . . . .
H2C H 0.229833 0.791166 0.465349 0.018 Uiso 1 1 calc R U . . .
C3C C 0.17290(7) 0.93760(10) 0.43396(3) 0.01814(19) Uani 1 1 d . . . . .
H3C H 0.131355 0.950243 0.449971 0.022 Uiso 1 1 calc R U . . .
C4C C 0.17533(7) 1.01388(10) 0.40142(4) 0.0196(2) Uani 1 1 d . . . . .
H4C H 0.134996 1.078041 0.395035 0.024 Uiso 1 1 calc R U . . .
C5C C 0.23660(8) 0.99636(10) 0.37828(4) 0.0211(2) Uani 1 1 d . . . . .
H5C H 0.238266 1.049068 0.356212 0.025 Uiso 1 1 calc R U . . .
C6C C 0.29564(7) 0.90212(10) 0.38716(3) 0.01773(18) Uani 1 1 d . . . . .
H6C H 0.338014 0.891125 0.371492 0.021 Uiso 1 1 calc R U . . .
C1D C 0.25940(7) 0.40059(9) 0.39821(3) 0.01436(17) Uani 1 1 d . . . . .
C2D C 0.18994(7) 0.35869(10) 0.36871(3) 0.01684(18) Uani 1 1 d . . . . .
H2D H 0.132852 0.375122 0.371276 0.020 Uiso 1 1 calc R U . . .
C3D C 0.20470(8) 0.29304(10) 0.33568(3) 0.0198(2) Uani 1 1 d . . . . .
H3D H 0.157639 0.265384 0.315549 0.024 Uiso 1 1 calc R U . . .
C4D C 0.28827(8) 0.26778(10) 0.33205(3) 0.0217(2) Uani 1 1 d . . . . .
H4D H 0.298154 0.224822 0.309088 0.026 Uiso 1 1 calc R U . . .
C5D C 0.35719(8) 0.30523(11) 0.36191(4) 0.0216(2) Uani 1 1 d . . . . .
H5D H 0.414065 0.285420 0.359822 0.026 Uiso 1 1 calc R U . . .
C6D C 0.34308(7) 0.37181(10) 0.39492(3) 0.01790(19) Uani 1 1 d . . . . .
H6D H 0.390360 0.397731 0.415246 0.021 Uiso 1 1 calc R U . . .
C1E C 0.14522(6) 0.57539(9) 0.42234(3) 0.01364(16) Uani 1 1 d . . . . .
C2E C 0.08921(7) 0.59509(10) 0.44840(3) 0.01699(18) Uani 1 1 d . . . . .
H2E H 0.101184 0.560906 0.474820 0.020 Uiso 1 1 calc R U . . .
C3E C 0.01565(7) 0.66509(11) 0.43552(4) 0.0221(2) Uani 1 1 d . . . . .
H3E H -0.022476 0.678696 0.453207 0.027 Uiso 1 1 calc R U . . .
C4E C -0.00195(7) 0.71499(11) 0.39685(4) 0.0241(2) Uani 1 1 d . . . . .
H4E H -0.052065 0.762725 0.388200 0.029 Uiso 1 1 calc R U . . .
C5E C 0.05339(7) 0.69536(11) 0.37082(4) 0.0217(2) Uani 1 1 d . . . . .
H5E H 0.041119 0.729623 0.344416 0.026 Uiso 1 1 calc R U . . .
C6E C 0.12667(7) 0.62564(10) 0.38338(3) 0.01706(18) Uani 1 1 d . . . . .
H6E H 0.164353 0.611983 0.365488 0.020 Uiso 1 1 calc R U . . .
C1F C 0.23113(6) 0.39717(9) 0.48094(3) 0.01367(16) Uani 1 1 d . . . . .
C2F C 0.20635(7) 0.27650(10) 0.47358(3) 0.01967(19) Uani 1 1 d . . . . .
H2F H 0.197149 0.244900 0.446844 0.024 Uiso 1 1 calc R U . . .
C3F C 0.19511(9) 0.20235(11) 0.50549(4) 0.0248(2) Uani 1 1 d . . . . .
H3F H 0.177711 0.120476 0.500334 0.030 Uiso 1 1 calc R U . . .
C4F C 0.20918(8) 0.24734(11) 0.54478(4) 0.0232(2) Uani 1 1 d . . . . .
H4F H 0.202242 0.195972 0.566440 0.028 Uiso 1 1 calc R U . . .
C5F C 0.23337(8) 0.36740(11) 0.55235(3) 0.0218(2) Uani 1 1 d . . . . .
H5F H 0.242786 0.398357 0.579172 0.026 Uiso 1 1 calc R U . . .
C6F C 0.24385(7) 0.44252(10) 0.52056(3) 0.01771(18) Uani 1 1 d . . . . .
H6F H 0.259711 0.524935 0.525769 0.021 Uiso 1 1 calc R U . . .
O1_6 O 0.2494(3) 0.8188(4) 0.19022(14) 0.0187(6) Uani 0.843(5) 1 d D U P A 1
C1_6 C 0.23406(13) 0.9198(2) 0.21006(7) 0.0155(3) Uani 0.843(5) 1 d D U P A 1
C2_6 C 0.29014(17) 1.0234(3) 0.19820(8) 0.0223(4) Uani 0.843(5) 1 d D U P A 1
F1_6 F 0.28407(15) 1.0248(2) 0.15826(5) 0.0332(4) Uani 0.843(5) 1 d D U P A 1
F2_6 F 0.2675(3) 1.1325(3) 0.20927(14) 0.0378(8) Uani 0.843(5) 1 d D U P A 1
F3_6 F 0.37286(11) 1.00656(19) 0.21520(6) 0.0321(3) Uani 0.843(5) 1 d D U P A 1
C3_6 C 0.26156(16) 0.89850(18) 0.25682(5) 0.0293(4) Uani 0.843(5) 1 d D U P A 1
F4_6 F 0.20196(16) 0.83326(13) 0.26999(5) 0.0466(5) Uani 0.843(5) 1 d D U P A 1
F5_6 F 0.33462(14) 0.83908(15) 0.26624(4) 0.0479(4) Uani 0.843(5) 1 d D U P A 1
F6_6 F 0.27104(16) 1.00140(16) 0.27795(5) 0.0438(4) Uani 0.843(5) 1 d D U P A 1
C4_6 C 0.13857(13) 0.95831(19) 0.19960(8) 0.0281(4) Uani 0.843(5) 1 d D U P A 1
F7_6 F 0.08788(9) 0.86281(14) 0.19821(7) 0.0422(5) Uani 0.843(5) 1 d D U P A 1
F8_6 F 0.11913(13) 1.03844(16) 0.22581(7) 0.0389(4) Uani 0.843(5) 1 d D U P A 1
F9_6 F 0.11980(11) 1.01052(18) 0.16274(6) 0.0464(4) Uani 0.843(5) 1 d D U P A 1
O1_3 O 0.2383(16) 0.8271(19) 0.1866(7) 0.017(2) Uani 0.157(5) 1 d D U P A 2
C1_3 C 0.2224(7) 0.9279(13) 0.2075(3) 0.0205(15) Uani 0.157(5) 1 d D U P A 2
C2_3 C 0.2914(9) 1.0243(15) 0.2043(5) 0.0272(19) Uani 0.157(5) 1 d D U P A 2
F1_3 F 0.3671(7) 0.9947(12) 0.2278(4) 0.042(2) Uani 0.157(5) 1 d D U P A 2
F2_3 F 0.2702(16) 1.1334(17) 0.2159(7) 0.027(2) Uani 0.157(5) 1 d D U P A 2
F3_3 F 0.3048(8) 1.0339(12) 0.1672(3) 0.0320(19) Uani 0.157(5) 1 d D U P A 2
C3_3 C 0.1329(6) 0.9779(10) 0.1874(4) 0.0283(17) Uani 0.157(5) 1 d D U P A 2
F4_3 F 0.0763(4) 0.8941(8) 0.1789(4) 0.0402(18) Uani 0.157(5) 1 d D U P A 2
F5_3 F 0.1385(7) 1.0341(11) 0.1527(3) 0.051(2) Uani 0.157(5) 1 d D U P A 2
F6_3 F 0.1052(6) 1.0581(8) 0.2104(3) 0.0326(17) Uani 0.157(5) 1 d D U P A 2
C4_3 C 0.2279(8) 0.8993(9) 0.2527(3) 0.0312(17) Uani 0.157(5) 1 d D U P A 2
F7_3 F 0.1561(7) 0.8470(6) 0.2573(3) 0.0392(18) Uani 0.157(5) 1 d D U P A 2
F8_3 F 0.2343(7) 1.0019(9) 0.2751(3) 0.040(2) Uani 0.157(5) 1 d D U P A 2
F9_3 F 0.2909(8) 0.8251(8) 0.2675(2) 0.046(2) Uani 0.157(5) 1 d D U P A 2
O1_7 O 0.16700(5) 0.60627(7) 0.20610(2) 0.01547(13) Uani 1 1 d D U . B 1
C1_7 C 0.10881(6) 0.52660(9) 0.21444(3) 0.01413(17) Uani 1 1 d D U . B 1
C2_7 C 0.02036(7) 0.53869(11) 0.18419(3) 0.01909(19) Uani 1 1 d D U . B 1
F1_7 F 0.00014(5) 0.65435(7) 0.17644(2) 0.02560(15) Uani 1 1 d D U . B 1
F2_7 F -0.04356(5) 0.48724(8) 0.19819(2) 0.02780(16) Uani 1 1 d D U . B 1
F3_7 F 0.02326(5) 0.48563(7) 0.14886(2) 0.02465(15) Uani 1 1 d D U . B 1
C3_7 C 0.14181(7) 0.39415(10) 0.21235(3) 0.01890(19) Uani 1 1 d D U . B 1
F4_7 F 0.20414(5) 0.36936(7) 0.24432(2) 0.02368(14) Uani 1 1 d D U . B 1
F5_7 F 0.17394(5) 0.37943(7) 0.17928(2) 0.02623(15) Uani 1 1 d D U . B 1
F6_7 F 0.08005(5) 0.31158(7) 0.21129(3) 0.02877(16) Uani 1 1 d D U . B 1
C4_7 C 0.09589(7) 0.55286(11) 0.25816(3) 0.01819(19) Uani 1 1 d D U . B 1
F7_7 F 0.17111(4) 0.57280(8) 0.28333(2) 0.02416(14) Uani 1 1 d D U . B 1
F8_7 F 0.05808(5) 0.46088(7) 0.27330(2) 0.02499(15) Uani 1 1 d D U . B 1
F9_7 F 0.04779(5) 0.65153(7) 0.25860(2) 0.02652(15) Uani 1 1 d D U . B 1
O1_8 O 0.14189(5) 0.68347(8) 0.12553(2) 0.01876(15) Uani 1 1 d D U . C 1
C1_8 C 0.12535(7) 0.70315(10) 0.08531(3) 0.01533(17) Uani 1 1 d D U . C 1
C2_8 C 0.20845(7) 0.72091(11) 0.06875(3) 0.0208(2) Uani 1 1 d D U . C 1
F1_8 F 0.26419(5) 0.79106(9) 0.09327(2) 0.03388(19) Uani 1 1 d D U . C 1
F2_8 F 0.19277(5) 0.77224(7) 0.03187(2) 0.02750(15) Uani 1 1 d D U . C 1
F3_8 F 0.24687(5) 0.61523(8) 0.06558(2) 0.03130(17) Uani 1 1 d D U . C 1
C3_8 C 0.07528(9) 0.59342(13) 0.06331(4) 0.0279(3) Uani 1 1 d D U . C 1
F4_8 F -0.00627(6) 0.59589(10) 0.06724(3) 0.0419(2) Uani 1 1 d D U . C 1
F5_8 F 0.10913(8) 0.49006(8) 0.07876(3) 0.0427(2) Uani 1 1 d D U . C 1
F6_8 F 0.07457(7) 0.59223(11) 0.02344(3) 0.0462(3) Uani 1 1 d D U . C 1
C4_8 C 0.06924(9) 0.81979(13) 0.07567(4) 0.0304(3) Uani 1 1 d D U . C 1
F7_8 F 0.00957(6) 0.82283(9) 0.09774(3) 0.0414(2) Uani 1 1 d D U . C 1
F8_8 F 0.02897(7) 0.82601(11) 0.03663(3) 0.0487(3) Uani 1 1 d D U . C 1
F9_8 F 0.11747(8) 0.91864(8) 0.08403(3) 0.0485(3) Uani 1 1 d D U . C 1
O1_9 O 0.30381(5) 0.60002(7) 0.16205(2) 0.01757(14) Uani 1 1 d D U . D 1
C1_9 C 0.38654(7) 0.56422(11) 0.17324(3) 0.01811(19) Uani 1 1 d D U . D 1
C2_9 C 0.39506(7) 0.45546(12) 0.20327(4) 0.0233(2) Uani 1 1 d D U . D 1
F1_9 F 0.35090(5) 0.47758(8) 0.23165(2) 0.02913(16) Uani 1 1 d D U . D 1
F2_9 F 0.47629(5) 0.43395(9) 0.22194(3) 0.03513(19) Uani 1 1 d D U . D 1
F3_9 F 0.36362(6) 0.35442(8) 0.18420(3) 0.03712(19) Uani 1 1 d D U . D 1
C3_9 C 0.41682(9) 0.52213(17) 0.13460(4) 0.0350(3) Uani 1 1 d D U . D 1
F4_9 F 0.42797(6) 0.61746(13) 0.11190(3) 0.0507(3) Uani 1 1 d D U . D 1
F5_9 F 0.35931(6) 0.45044(10) 0.11190(3) 0.0420(2) Uani 1 1 d D U . D 1
F6_9 F 0.49110(6) 0.46080(13) 0.14330(3) 0.0551(3) Uani 1 1 d D U . D 1
C4_9 C 0.44516(8) 0.66956(13) 0.19354(4) 0.0275(2) Uani 1 1 d D U . D 1
F7_9 F 0.42643(6) 0.77199(8) 0.17275(3) 0.0400(2) Uani 1 1 d D U . D 1
F8_9 F 0.52877(5) 0.64671(10) 0.19574(3) 0.0412(2) Uani 1 1 d D U . D 1
F9_9 F 0.43402(6) 0.68947(9) 0.23080(3) 0.0385(2) Uani 1 1 d D U . D 1
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'
O O 0.0106 0.0060 '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'
Al Al 0.0645 0.0514 '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'
H H 0.0000 0.0000 '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
C1 Ga1 Ga1 118.18(3) . 3_666 ?
C1 P1 C1C 114.40(5) . . ?
C1 P1 C1B 114.71(5) . . ?
C1C P1 C1B 107.28(5) . . ?
C1 P1 C1A 107.77(5) . . ?
C1C P1 C1A 104.23(5) . . ?
C1B P1 C1A 107.77(5) . . ?
P2 C1 P1 125.24(6) . . ?
P2 C1 Ga1 114.53(5) . . ?
P1 C1 Ga1 116.49(5) . . ?
O1_7 Al1 O1_6 108.11(17) . . ?
O1_7 Al1 O1_9 113.35(4) . . ?
O1_6 Al1 O1_9 108.01(15) . . ?
O1_7 Al1 O1_8 107.95(4) . . ?
O1_6 Al1 O1_8 113.32(16) . . ?
O1_9 Al1 O1_8 106.23(4) . . ?
C1 P2 C1E 115.81(5) . . ?
C1 P2 C1D 113.96(5) . . ?
C1E P2 C1D 105.58(5) . . ?
C1 P2 C1F 106.49(5) . . ?
C1E P2 C1F 107.20(5) . . ?
C1D P2 C1F 107.36(5) . . ?
C6A C1A C2A 119.07(10) . . ?
C6A C1A P1 120.70(8) . . ?
C2A C1A P1 120.05(8) . . ?
C3A C2A C1A 120.17(10) . . ?
C3A C2A H2A 119.9 . . ?
C1A C2A H2A 119.9 . . ?
C4A C3A C2A 120.29(10) . . ?
C4A C3A H3A 119.9 . . ?
C2A C3A H3A 119.9 . . ?
C3A C4A C5A 119.80(10) . . ?
C3A C4A H4A 120.1 . . ?
C5A C4A H4A 120.1 . . ?
C4A C5A C6A 120.37(11) . . ?
C4A C5A H5A 119.8 . . ?
C6A C5A H5A 119.8 . . ?
C5A C6A C1A 120.17(10) . . ?
C5A C6A H6A 119.9 . . ?
C1A C6A H6A 119.9 . . ?
C2B C1B C6B 119.00(9) . . ?
C2B C1B P1 120.34(8) . . ?
C6B C1B P1 119.88(8) . . ?
C3B C2B C1B 120.26(10) . . ?
C3B C2B H2B 119.9 . . ?
C1B C2B H2B 119.9 . . ?
C2B C3B C4B 120.29(10) . . ?
C2B C3B H3B 119.9 . . ?
C4B C3B H3B 119.9 . . ?
C5B C4B C3B 119.91(10) . . ?
C5B C4B H4B 120.0 . . ?
C3B C4B H4B 120.0 . . ?
C4B C5B C6B 120.30(10) . . ?
C4B C5B H5B 119.8 . . ?
C6B C5B H5B 119.8 . . ?
C5B C6B C1B 120.24(10) . . ?
C5B C6B H6B 119.9 . . ?
C1B C6B H6B 119.9 . . ?
C2C C1C C6C 119.85(9) . . ?
C2C C1C P1 117.92(7) . . ?
C6C C1C P1 122.11(8) . . ?
C3C C2C C1C 120.08(9) . . ?
C3C C2C H2C 120.0 . . ?
C1C C2C H2C 120.0 . . ?
C2C C3C C4C 119.97(10) . . ?
C2C C3C H3C 120.0 . . ?
C4C C3C H3C 120.0 . . ?
C5C C4C C3C 120.08(10) . . ?
C5C C4C H4C 120.0 . . ?
C3C C4C H4C 120.0 . . ?
C4C C5C C6C 120.49(10) . . ?
C4C C5C H5C 119.8 . . ?
C6C C5C H5C 119.8 . . ?
C5C C6C C1C 119.50(10) . . ?
C5C C6C H6C 120.2 . . ?
C1C C6C H6C 120.2 . . ?
C6D C1D C2D 119.49(9) . . ?
C6D C1D P2 117.97(8) . . ?
C2D C1D P2 122.50(8) . . ?
C3D C2D C1D 119.94(10) . . ?
C3D C2D H2D 120.0 . . ?
C1D C2D H2D 120.0 . . ?
C2D C3D C4D 120.15(10) . . ?
C2D C3D H3D 119.9 . . ?
C4D C3D H3D 119.9 . . ?
C5D C4D C3D 120.14(10) . . ?
C5D C4D H4D 119.9 . . ?
C3D C4D H4D 119.9 . . ?
C4D C5D C6D 120.09(10) . . ?
C4D C5D H5D 120.0 . . ?
C6D C5D H5D 120.0 . . ?
C5D C6D C1D 120.11(10) . . ?
C5D C6D H6D 119.9 . . ?
C1D C6D H6D 119.9 . . ?
C2E C1E C6E 119.61(9) . . ?
C2E C1E P2 120.39(8) . . ?
C6E C1E P2 119.80(8) . . ?
C3E C2E C1E 119.81(10) . . ?
C3E C2E H2E 120.1 . . ?
C1E C2E H2E 120.1 . . ?
C4E C3E C2E 120.11(10) . . ?
C4E C3E H3E 119.9 . . ?
C2E C3E H3E 119.9 . . ?
C5E C4E C3E 120.28(10) . . ?
C5E C4E H4E 119.9 . . ?
C3E C4E H4E 119.9 . . ?
C4E C5E C6E 119.99(11) . . ?
C4E C5E H5E 120.0 . . ?
C6E C5E H5E 120.0 . . ?
C5E C6E C1E 120.21(10) . . ?
C5E C6E H6E 119.9 . . ?
C1E C6E H6E 119.9 . . ?
C2F C1F C6F 119.24(9) . . ?
C2F C1F P2 121.04(8) . . ?
C6F C1F P2 119.72(8) . . ?
C3F C2F C1F 119.98(10) . . ?
C3F C2F H2F 120.0 . . ?
C1F C2F H2F 120.0 . . ?
C4F C3F C2F 120.48(11) . . ?
C4F C3F H3F 119.8 . . ?
C2F C3F H3F 119.8 . . ?
C5F C4F C3F 119.92(10) . . ?
C5F C4F H4F 120.0 . . ?
C3F C4F H4F 120.0 . . ?
C4F C5F C6F 119.97(11) . . ?
C4F C5F H5F 120.0 . . ?
C6F C5F H5F 120.0 . . ?
C5F C6F C1F 120.39(10) . . ?
C5F C6F H6F 119.8 . . ?
C1F C6F H6F 119.8 . . ?
C1_6 O1_6 Al1 148.5(4) . . ?
O1_6 C1_6 C4_6 112.7(2) . . ?
O1_6 C1_6 C2_6 107.7(3) . . ?
C4_6 C1_6 C2_6 109.31(18) . . ?
O1_6 C1_6 C3_6 109.7(2) . . ?
C4_6 C1_6 C3_6 108.89(16) . . ?
C2_6 C1_6 C3_6 108.44(17) . . ?
F1_6 C2_6 F2_6 107.9(3) . . ?
F1_6 C2_6 F3_6 106.90(19) . . ?
F2_6 C2_6 F3_6 107.9(3) . . ?
F1_6 C2_6 C1_6 110.3(2) . . ?
F2_6 C2_6 C1_6 112.8(3) . . ?
F3_6 C2_6 C1_6 110.88(19) . . ?
F5_6 C3_6 F6_6 107.49(17) . . ?
F5_6 C3_6 F4_6 107.81(17) . . ?
F6_6 C3_6 F4_6 106.72(16) . . ?
F5_6 C3_6 C1_6 111.31(15) . . ?
F6_6 C3_6 C1_6 112.89(17) . . ?
F4_6 C3_6 C1_6 110.38(16) . . ?
F7_6 C4_6 F8_6 108.98(16) . . ?
F7_6 C4_6 F9_6 107.05(18) . . ?
F8_6 C4_6 F9_6 107.03(17) . . ?
F7_6 C4_6 C1_6 110.71(16) . . ?
F8_6 C4_6 C1_6 112.72(18) . . ?
F9_6 C4_6 C1_6 110.13(16) . . ?
C1_3 O1_3 Al1 150(2) . . ?
O1_3 C1_3 C4_3 111.5(13) . . ?
O1_3 C1_3 C3_3 108.4(12) . . ?
C4_3 C1_3 C3_3 111.3(9) . . ?
O1_3 C1_3 C2_3 107.9(14) . . ?
C4_3 C1_3 C2_3 108.5(9) . . ?
C3_3 C1_3 C2_3 109.1(9) . . ?
F3_3 C2_3 F2_3 108.0(14) . . ?
F3_3 C2_3 F1_3 106.1(11) . . ?
F2_3 C2_3 F1_3 107.4(14) . . ?
F3_3 C2_3 C1_3 112.5(11) . . ?
F2_3 C2_3 C1_3 111.7(14) . . ?
F1_3 C2_3 C1_3 110.8(11) . . ?
F4_3 C3_3 F6_3 107.9(9) . . ?
F4_3 C3_3 F5_3 108.2(9) . . ?
F6_3 C3_3 F5_3 107.2(9) . . ?
F4_3 C3_3 C1_3 112.5(9) . . ?
F6_3 C3_3 C1_3 112.0(9) . . ?
F5_3 C3_3 C1_3 108.9(9) . . ?
F9_3 C4_3 F7_3 107.3(8) . . ?
F9_3 C4_3 F8_3 110.3(9) . . ?
F7_3 C4_3 F8_3 105.4(8) . . ?
F9_3 C4_3 C1_3 112.6(8) . . ?
F7_3 C4_3 C1_3 109.6(8) . . ?
F8_3 C4_3 C1_3 111.2(9) . . ?
C1_7 O1_7 Al1 149.89(7) . . ?
O1_7 C1_7 C3_7 110.30(8) . . ?
O1_7 C1_7 C4_7 108.10(8) . . ?
C3_7 C1_7 C4_7 109.27(8) . . ?
O1_7 C1_7 C2_7 111.92(8) . . ?
C3_7 C1_7 C2_7 108.48(9) . . ?
C4_7 C1_7 C2_7 108.74(8) . . ?
F1_7 C2_7 F2_7 107.80(9) . . ?
F1_7 C2_7 F3_7 107.27(9) . . ?
F2_7 C2_7 F3_7 107.58(9) . . ?
F1_7 C2_7 C1_7 111.03(9) . . ?
F2_7 C2_7 C1_7 112.51(9) . . ?
F3_7 C2_7 C1_7 110.42(9) . . ?
F4_7 C3_7 F5_7 107.51(9) . . ?
F4_7 C3_7 F6_7 107.53(9) . . ?
F5_7 C3_7 F6_7 107.81(9) . . ?
F4_7 C3_7 C1_7 110.90(9) . . ?
F5_7 C3_7 C1_7 110.18(9) . . ?
F6_7 C3_7 C1_7 112.70(9) . . ?
F9_7 C4_7 F7_7 107.47(9) . . ?
F9_7 C4_7 F8_7 107.96(9) . . ?
F7_7 C4_7 F8_7 107.41(9) . . ?
F9_7 C4_7 C1_7 110.70(9) . . ?
F7_7 C4_7 C1_7 110.66(8) . . ?
F8_7 C4_7 C1_7 112.44(9) . . ?
C1_8 O1_8 Al1 149.10(7) . . ?
O1_8 C1_8 C3_8 109.22(9) . . ?
O1_8 C1_8 C2_8 112.53(9) . . ?
C3_8 C1_8 C2_8 108.50(9) . . ?
O1_8 C1_8 C4_8 108.95(9) . . ?
C3_8 C1_8 C4_8 109.21(10) . . ?
C2_8 C1_8 C4_8 108.38(9) . . ?
F1_8 C2_8 F3_8 107.55(10) . . ?
F1_8 C2_8 F2_8 107.55(10) . . ?
F3_8 C2_8 F2_8 107.05(9) . . ?
F1_8 C2_8 C1_8 110.97(9) . . ?
F3_8 C2_8 C1_8 111.09(9) . . ?
F2_8 C2_8 C1_8 112.39(9) . . ?
F5_8 C3_8 F4_8 107.67(11) . . ?
F5_8 C3_8 F6_8 107.67(12) . . ?
F4_8 C3_8 F6_8 107.33(11) . . ?
F5_8 C3_8 C1_8 111.01(11) . . ?
F4_8 C3_8 C1_8 110.48(11) . . ?
F6_8 C3_8 C1_8 112.47(10) . . ?
F7_8 C4_8 F9_8 108.13(12) . . ?
F7_8 C4_8 F8_8 107.43(12) . . ?
F9_8 C4_8 F8_8 107.58(12) . . ?
F7_8 C4_8 C1_8 110.55(10) . . ?
F9_8 C4_8 C1_8 110.56(11) . . ?
F8_8 C4_8 C1_8 112.42(11) . . ?
C1_9 O1_9 Al1 151.18(7) . . ?
O1_9 C1_9 C3_9 108.07(9) . . ?
O1_9 C1_9 C4_9 111.39(10) . . ?
C3_9 C1_9 C4_9 109.16(10) . . ?
O1_9 C1_9 C2_9 110.64(9) . . ?
C3_9 C1_9 C2_9 108.45(10) . . ?
C4_9 C1_9 C2_9 109.07(9) . . ?
F1_9 C2_9 F3_9 107.48(10) . . ?
F1_9 C2_9 F2_9 107.54(10) . . ?
F3_9 C2_9 F2_9 107.93(10) . . ?
F1_9 C2_9 C1_9 110.00(10) . . ?
F3_9 C2_9 C1_9 110.97(10) . . ?
F2_9 C2_9 C1_9 112.71(10) . . ?
F5_9 C3_9 F4_9 107.32(12) . . ?
F5_9 C3_9 F6_9 107.25(13) . . ?
F4_9 C3_9 F6_9 107.71(12) . . ?
F5_9 C3_9 C1_9 111.34(11) . . ?
F4_9 C3_9 C1_9 110.45(13) . . ?
F6_9 C3_9 C1_9 112.53(11) . . ?
F9_9 C4_9 F7_9 107.46(12) . . ?
F9_9 C4_9 F8_9 108.02(11) . . ?
F7_9 C4_9 F8_9 107.34(10) . . ?
F9_9 C4_9 C1_9 110.67(10) . . ?
F7_9 C4_9 C1_9 110.78(11) . . ?
F8_9 C4_9 C1_9 112.38(11) . . ?
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 C1 2.0052(9) . ?
Ga1 Ga1 2.6901(3) 3_666 ?
P1 C1 1.7127(10) . ?
P1 C1C 1.8055(10) . ?
P1 C1B 1.8070(10) . ?
P1 C1A 1.8139(10) . ?
C1 P2 1.7119(10) . ?
Al1 O1_7 1.7256(8) . ?
Al1 O1_6 1.726(4) . ?
Al1 O1_9 1.7328(8) . ?
Al1 O1_8 1.7341(8) . ?
Al1 O1_3 1.74(2) . ?
P2 C1E 1.8099(10) . ?
P2 C1D 1.8129(10) . ?
P2 C1F 1.8149(10) . ?
C1A C6A 1.4009(14) . ?
C1A C2A 1.4024(14) . ?
C2A C3A 1.3943(15) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.3883(17) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.3908(17) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.3925(16) . ?
C5A H5A 0.9500 . ?
C6A H6A 0.9500 . ?
C1B C2B 1.4008(14) . ?
C1B C6B 1.4034(14) . ?
C2B C3B 1.3891(15) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.3894(16) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.3879(17) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.3888(15) . ?
C5B H5B 0.9500 . ?
C6B H6B 0.9500 . ?
C1C C2C 1.3986(13) . ?
C1C C6C 1.3987(14) . ?
C2C C3C 1.3892(14) . ?
C2C H2C 0.9500 . ?
C3C C4C 1.3910(16) . ?
C3C H3C 0.9500 . ?
C4C C5C 1.3880(17) . ?
C4C H4C 0.9500 . ?
C5C C6C 1.3919(15) . ?
C5C H5C 0.9500 . ?
C6C H6C 0.9500 . ?
C1D C6D 1.3988(14) . ?
C1D C2D 1.4024(14) . ?
C2D C3D 1.3913(14) . ?
C2D H2D 0.9500 . ?
C3D C4D 1.3921(17) . ?
C3D H3D 0.9500 . ?
C4D C5D 1.3881(17) . ?
C4D H4D 0.9500 . ?
C5D C6D 1.3926(15) . ?
C5D H5D 0.9500 . ?
C6D H6D 0.9500 . ?
C1E C2E 1.3975(14) . ?
C1E C6E 1.4006(14) . ?
C2E C3E 1.3949(15) . ?
C2E H2E 0.9500 . ?
C3E C4E 1.3902(18) . ?
C3E H3E 0.9500 . ?
C4E C5E 1.3881(17) . ?
C4E H4E 0.9500 . ?
C5E C6E 1.3884(15) . ?
C5E H5E 0.9500 . ?
C6E H6E 0.9500 . ?
C1F C2F 1.3958(15) . ?
C1F C6F 1.4026(14) . ?
C2F C3F 1.3943(16) . ?
C2F H2F 0.9500 . ?
C3F C4F 1.3899(17) . ?
C3F H3F 0.9500 . ?
C4F C5F 1.3880(17) . ?
C4F H4F 0.9500 . ?
C5F C6F 1.3938(15) . ?
C5F H5F 0.9500 . ?
C6F H6F 0.9500 . ?
O1_6 C1_6 1.348(2) . ?
C1_6 C4_6 1.548(2) . ?
C1_6 C2_6 1.555(3) . ?
C1_6 C3_6 1.565(2) . ?
C2_6 F1_6 1.332(2) . ?
C2_6 F2_6 1.333(3) . ?
C2_6 F3_6 1.336(3) . ?
C3_6 F5_6 1.316(3) . ?
C3_6 F6_6 1.332(2) . ?
C3_6 F4_6 1.341(2) . ?
C4_6 F7_6 1.323(2) . ?
C4_6 F8_6 1.333(2) . ?
C4_6 F9_6 1.346(2) . ?
O1_3 C1_3 1.370(13) . ?
C1_3 C4_3 1.542(11) . ?
C1_3 C3_3 1.547(11) . ?
C1_3 C2_3 1.551(12) . ?
C2_3 F3_3 1.319(12) . ?
C2_3 F2_3 1.331(13) . ?
C2_3 F1_3 1.337(12) . ?
C3_3 F4_3 1.281(10) . ?
C3_3 F6_3 1.315(10) . ?
C3_3 F5_3 1.343(10) . ?
C4_3 F9_3 1.311(10) . ?
C4_3 F7_3 1.320(10) . ?
C4_3 F8_3 1.352(10) . ?
O1_7 C1_7 1.3504(12) . ?
C1_7 C3_7 1.5596(15) . ?
C1_7 C4_7 1.5606(14) . ?
C1_7 C2_7 1.5625(14) . ?
C2_7 F1_7 1.3284(14) . ?
C2_7 F2_7 1.3374(12) . ?
C2_7 F3_7 1.3386(14) . ?
C3_7 F4_7 1.3320(13) . ?
C3_7 F5_7 1.3337(13) . ?
C3_7 F6_7 1.3365(13) . ?
C4_7 F9_7 1.3335(13) . ?
C4_7 F7_7 1.3336(12) . ?
C4_7 F8_7 1.3361(13) . ?
O1_8 C1_8 1.3453(12) . ?
C1_8 C3_8 1.5505(16) . ?
C1_8 C2_8 1.5560(15) . ?
C1_8 C4_8 1.5617(17) . ?
C2_8 F1_8 1.3278(14) . ?
C2_8 F3_8 1.3318(14) . ?
C2_8 F2_8 1.3426(13) . ?
C3_8 F5_8 1.3208(18) . ?
C3_8 F4_8 1.3352(16) . ?
C3_8 F6_8 1.3441(14) . ?
C4_8 F7_8 1.3274(15) . ?
C4_8 F9_8 1.3299(19) . ?
C4_8 F8_8 1.3408(16) . ?
O1_9 C1_9 1.3524(13) . ?
C1_9 C3_9 1.5552(16) . ?
C1_9 C4_9 1.5567(17) . ?
C1_9 C2_9 1.5581(17) . ?
C2_9 F1_9 1.3266(14) . ?
C2_9 F3_9 1.3311(15) . ?
C2_9 F2_9 1.3366(13) . ?
C3_9 F5_9 1.3255(19) . ?
C3_9 F4_9 1.335(2) . ?
C3_9 F6_9 1.3417(15) . ?
C4_9 F9_9 1.3259(16) . ?
C4_9 F7_9 1.3304(16) . ?
C4_9 F8_9 1.3434(15) . ?
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
C1C P1 C1 P2 61.01(8) . . . . ?
C1B P1 C1 P2 -63.58(8) . . . . ?
C1A P1 C1 P2 176.40(6) . . . . ?
C1C P1 C1 Ga1 -142.05(5) . . . . ?
C1B P1 C1 Ga1 93.36(6) . . . . ?
C1A P1 C1 Ga1 -26.66(7) . . . . ?
P1 C1 P2 C1E -55.93(8) . . . . ?
Ga1 C1 P2 C1E 146.73(5) . . . . ?
P1 C1 P2 C1D 66.84(8) . . . . ?
Ga1 C1 P2 C1D -90.49(6) . . . . ?
P1 C1 P2 C1F -174.99(6) . . . . ?
Ga1 C1 P2 C1F 27.67(6) . . . . ?
C1 P1 C1A C6A 151.65(9) . . . . ?
C1C P1 C1A C6A -86.42(9) . . . . ?
C1B P1 C1A C6A 27.35(10) . . . . ?
C1 P1 C1A C2A -33.30(10) . . . . ?
C1C P1 C1A C2A 88.63(9) . . . . ?
C1B P1 C1A C2A -157.60(8) . . . . ?
C6A C1A C2A C3A -4.05(16) . . . . ?
P1 C1A C2A C3A -179.18(8) . . . . ?
C1A C2A C3A C4A 1.83(17) . . . . ?
C2A C3A C4A C5A 1.48(18) . . . . ?
C3A C4A C5A C6A -2.54(19) . . . . ?
C4A C5A C6A C1A 0.28(18) . . . . ?
C2A C1A C6A C5A 3.00(16) . . . . ?
P1 C1A C6A C5A 178.10(9) . . . . ?
C1 P1 C1B C2B 88.48(10) . . . . ?
C1C P1 C1B C2B -39.79(10) . . . . ?
C1A P1 C1B C2B -151.50(9) . . . . ?
C1 P1 C1B C6B -81.30(10) . . . . ?
C1C P1 C1B C6B 150.43(9) . . . . ?
C1A P1 C1B C6B 38.71(10) . . . . ?
C6B C1B C2B C3B -0.49(17) . . . . ?
P1 C1B C2B C3B -170.36(9) . . . . ?
C1B C2B C3B C4B 0.52(18) . . . . ?
C2B C3B C4B C5B -0.1(2) . . . . ?
C3B C4B C5B C6B -0.3(2) . . . . ?
C4B C5B C6B C1B 0.3(2) . . . . ?
C2B C1B C6B C5B 0.07(17) . . . . ?
P1 C1B C6B C5B 169.99(10) . . . . ?
C1 P1 C1C C2C 27.74(10) . . . . ?
C1B P1 C1C C2C 156.19(8) . . . . ?
C1A P1 C1C C2C -89.70(9) . . . . ?
C1 P1 C1C C6C -156.33(9) . . . . ?
C1B P1 C1C C6C -27.88(10) . . . . ?
C1A P1 C1C C6C 86.24(9) . . . . ?
C6C C1C C2C C3C 1.80(16) . . . . ?
P1 C1C C2C C3C 177.82(8) . . . . ?
C1C C2C C3C C4C -0.41(16) . . . . ?
C2C C3C C4C C5C -0.72(17) . . . . ?
C3C C4C C5C C6C 0.47(18) . . . . ?
C4C C5C C6C C1C 0.92(17) . . . . ?
C2C C1C C6C C5C -2.04(16) . . . . ?
P1 C1C C6C C5C -177.90(9) . . . . ?
C1 P2 C1D C6D 23.53(10) . . . . ?
C1E P2 C1D C6D 151.73(8) . . . . ?
C1F P2 C1D C6D -94.14(9) . . . . ?
C1 P2 C1D C2D -154.20(8) . . . . ?
C1E P2 C1D C2D -25.99(10) . . . . ?
C1F P2 C1D C2D 88.14(9) . . . . ?
C6D C1D C2D C3D -2.47(15) . . . . ?
P2 C1D C2D C3D 175.22(8) . . . . ?
C1D C2D C3D C4D 0.65(16) . . . . ?
C2D C3D C4D C5D 1.69(17) . . . . ?
C3D C4D C5D C6D -2.19(17) . . . . ?
C4D C5D C6D C1D 0.35(17) . . . . ?
C2D C1D C6D C5D 1.97(16) . . . . ?
P2 C1D C6D C5D -175.82(9) . . . . ?
C1 P2 C1E C2E -92.06(9) . . . . ?
C1D P2 C1E C2E 140.84(9) . . . . ?
C1F P2 C1E C2E 26.60(10) . . . . ?
C1 P2 C1E C6E 82.80(9) . . . . ?
C1D P2 C1E C6E -44.29(9) . . . . ?
C1F P2 C1E C6E -158.53(8) . . . . ?
C6E C1E C2E C3E -0.37(16) . . . . ?
P2 C1E C2E C3E 174.51(9) . . . . ?
C1E C2E C3E C4E 0.09(17) . . . . ?
C2E C3E C4E C5E 0.10(19) . . . . ?
C3E C4E C5E C6E 0.00(19) . . . . ?
C4E C5E C6E C1E -0.28(17) . . . . ?
C2E C1E C6E C5E 0.47(16) . . . . ?
P2 C1E C6E C5E -174.44(9) . . . . ?
C1 P2 C1F C2F -141.86(9) . . . . ?
C1E P2 C1F C2F 93.60(9) . . . . ?
C1D P2 C1F C2F -19.43(10) . . . . ?
C1 P2 C1F C6F 39.00(9) . . . . ?
C1E P2 C1F C6F -85.53(9) . . . . ?
C1D P2 C1F C6F 161.43(8) . . . . ?
C6F C1F C2F C3F -0.44(16) . . . . ?
P2 C1F C2F C3F -179.58(9) . . . . ?
C1F C2F C3F C4F -0.60(19) . . . . ?
C2F C3F C4F C5F 0.95(19) . . . . ?
C3F C4F C5F C6F -0.25(18) . . . . ?
C4F C5F C6F C1F -0.80(17) . . . . ?
C2F C1F C6F C5F 1.14(16) . . . . ?
P2 C1F C6F C5F -179.71(9) . . . . ?
O1_7 Al1 O1_6 C1_6 -39.8(7) . . . . ?
O1_9 Al1 O1_6 C1_6 -162.8(6) . . . . ?
O1_8 Al1 O1_6 C1_6 79.8(7) . . . . ?
Al1 O1_6 C1_6 C4_6 -37.4(7) . . . . ?
Al1 O1_6 C1_6 C2_6 -158.1(6) . . . . ?
Al1 O1_6 C1_6 C3_6 84.1(6) . . . . ?
O1_6 C1_6 C2_6 F1_6 46.3(3) . . . . ?
C4_6 C1_6 C2_6 F1_6 -76.5(2) . . . . ?
C3_6 C1_6 C2_6 F1_6 164.9(2) . . . . ?
O1_6 C1_6 C2_6 F2_6 167.0(3) . . . . ?
C4_6 C1_6 C2_6 F2_6 44.2(3) . . . . ?
C3_6 C1_6 C2_6 F2_6 -74.4(3) . . . . ?
O1_6 C1_6 C2_6 F3_6 -71.9(3) . . . . ?
C4_6 C1_6 C2_6 F3_6 165.3(2) . . . . ?
C3_6 C1_6 C2_6 F3_6 46.7(2) . . . . ?
O1_6 C1_6 C3_6 F5_6 41.4(3) . . . . ?
C4_6 C1_6 C3_6 F5_6 165.20(17) . . . . ?
C2_6 C1_6 C3_6 F5_6 -76.0(2) . . . . ?
O1_6 C1_6 C3_6 F6_6 162.4(3) . . . . ?
C4_6 C1_6 C3_6 F6_6 -73.8(2) . . . . ?
C2_6 C1_6 C3_6 F6_6 45.0(2) . . . . ?
O1_6 C1_6 C3_6 F4_6 -78.3(3) . . . . ?
C4_6 C1_6 C3_6 F4_6 45.5(2) . . . . ?
C2_6 C1_6 C3_6 F4_6 164.36(18) . . . . ?
O1_6 C1_6 C4_6 F7_6 42.3(3) . . . . ?
C2_6 C1_6 C4_6 F7_6 162.07(19) . . . . ?
C3_6 C1_6 C4_6 F7_6 -79.6(2) . . . . ?
O1_6 C1_6 C4_6 F8_6 164.7(3) . . . . ?
C2_6 C1_6 C4_6 F8_6 -75.6(2) . . . . ?
C3_6 C1_6 C4_6 F8_6 42.7(2) . . . . ?
O1_6 C1_6 C4_6 F9_6 -75.9(3) . . . . ?
C2_6 C1_6 C4_6 F9_6 43.9(2) . . . . ?
C3_6 C1_6 C4_6 F9_6 162.18(17) . . . . ?
Al1 O1_3 C1_3 C4_3 56(4) . . . . ?
Al1 O1_3 C1_3 C3_3 -67(4) . . . . ?
Al1 O1_3 C1_3 C2_3 175(3) . . . . ?
O1_3 C1_3 C2_3 F3_3 44.4(17) . . . . ?
C4_3 C1_3 C2_3 F3_3 165.5(11) . . . . ?
C3_3 C1_3 C2_3 F3_3 -73.2(14) . . . . ?
O1_3 C1_3 C2_3 F2_3 166.1(17) . . . . ?
C4_3 C1_3 C2_3 F2_3 -72.9(16) . . . . ?
C3_3 C1_3 C2_3 F2_3 48.5(16) . . . . ?
O1_3 C1_3 C2_3 F1_3 -74.2(16) . . . . ?
C4_3 C1_3 C2_3 F1_3 46.8(14) . . . . ?
C3_3 C1_3 C2_3 F1_3 168.2(11) . . . . ?
O1_3 C1_3 C3_3 F4_3 44.8(16) . . . . ?
C4_3 C1_3 C3_3 F4_3 -78.2(12) . . . . ?
C2_3 C1_3 C3_3 F4_3 162.1(10) . . . . ?
O1_3 C1_3 C3_3 F6_3 166.5(15) . . . . ?
C4_3 C1_3 C3_3 F6_3 43.5(13) . . . . ?
C2_3 C1_3 C3_3 F6_3 -76.2(12) . . . . ?
O1_3 C1_3 C3_3 F5_3 -75.1(16) . . . . ?
C4_3 C1_3 C3_3 F5_3 161.9(10) . . . . ?
C2_3 C1_3 C3_3 F5_3 42.2(12) . . . . ?
O1_3 C1_3 C4_3 F9_3 39.7(15) . . . . ?
C3_3 C1_3 C4_3 F9_3 160.9(9) . . . . ?
C2_3 C1_3 C4_3 F9_3 -79.1(12) . . . . ?
O1_3 C1_3 C4_3 F7_3 -79.7(14) . . . . ?
C3_3 C1_3 C4_3 F7_3 41.6(12) . . . . ?
C2_3 C1_3 C4_3 F7_3 161.6(9) . . . . ?
O1_3 C1_3 C4_3 F8_3 164.1(13) . . . . ?
C3_3 C1_3 C4_3 F8_3 -74.7(11) . . . . ?
C2_3 C1_3 C4_3 F8_3 45.3(12) . . . . ?
O1_6 Al1 O1_7 C1_7 151.0(2) . . . . ?
O1_9 Al1 O1_7 C1_7 -89.32(15) . . . . ?
O1_8 Al1 O1_7 C1_7 28.06(15) . . . . ?
Al1 O1_7 C1_7 C3_7 76.77(16) . . . . ?
Al1 O1_7 C1_7 C4_7 -163.82(11) . . . . ?
Al1 O1_7 C1_7 C2_7 -44.10(18) . . . . ?
O1_7 C1_7 C2_7 F1_7 -41.24(12) . . . . ?
C3_7 C1_7 C2_7 F1_7 -163.16(9) . . . . ?
C4_7 C1_7 C2_7 F1_7 78.11(11) . . . . ?
O1_7 C1_7 C2_7 F2_7 -162.17(9) . . . . ?
C3_7 C1_7 C2_7 F2_7 75.91(11) . . . . ?
C4_7 C1_7 C2_7 F2_7 -42.82(12) . . . . ?
O1_7 C1_7 C2_7 F3_7 77.62(11) . . . . ?
C3_7 C1_7 C2_7 F3_7 -44.30(11) . . . . ?
C4_7 C1_7 C2_7 F3_7 -163.03(9) . . . . ?
O1_7 C1_7 C3_7 F4_7 73.49(11) . . . . ?
C4_7 C1_7 C3_7 F4_7 -45.21(11) . . . . ?
C2_7 C1_7 C3_7 F4_7 -163.61(8) . . . . ?
O1_7 C1_7 C3_7 F5_7 -45.43(11) . . . . ?
C4_7 C1_7 C3_7 F5_7 -164.13(8) . . . . ?
C2_7 C1_7 C3_7 F5_7 77.47(10) . . . . ?
O1_7 C1_7 C3_7 F6_7 -165.90(9) . . . . ?
C4_7 C1_7 C3_7 F6_7 75.40(11) . . . . ?
C2_7 C1_7 C3_7 F6_7 -43.00(12) . . . . ?
O1_7 C1_7 C4_7 F9_7 75.92(10) . . . . ?
C3_7 C1_7 C4_7 F9_7 -164.02(8) . . . . ?
C2_7 C1_7 C4_7 F9_7 -45.78(11) . . . . ?
O1_7 C1_7 C4_7 F7_7 -43.13(12) . . . . ?
C3_7 C1_7 C4_7 F7_7 76.93(11) . . . . ?
C2_7 C1_7 C4_7 F7_7 -164.83(9) . . . . ?
O1_7 C1_7 C4_7 F8_7 -163.24(9) . . . . ?
C3_7 C1_7 C4_7 F8_7 -43.18(11) . . . . ?
C2_7 C1_7 C4_7 F8_7 75.06(11) . . . . ?
O1_7 Al1 O1_8 C1_8 -166.72(15) . . . . ?
O1_6 Al1 O1_8 C1_8 73.6(2) . . . . ?
O1_9 Al1 O1_8 C1_8 -44.83(16) . . . . ?
Al1 O1_8 C1_8 C3_8 128.03(14) . . . . ?
Al1 O1_8 C1_8 C2_8 7.5(2) . . . . ?
Al1 O1_8 C1_8 C4_8 -112.76(15) . . . . ?
O1_8 C1_8 C2_8 F1_8 -42.57(13) . . . . ?
C3_8 C1_8 C2_8 F1_8 -163.54(10) . . . . ?
C4_8 C1_8 C2_8 F1_8 77.98(12) . . . . ?
O1_8 C1_8 C2_8 F3_8 77.03(12) . . . . ?
C3_8 C1_8 C2_8 F3_8 -43.94(12) . . . . ?
C4_8 C1_8 C2_8 F3_8 -162.42(10) . . . . ?
O1_8 C1_8 C2_8 F2_8 -163.04(9) . . . . ?
C3_8 C1_8 C2_8 F2_8 75.98(12) . . . . ?
C4_8 C1_8 C2_8 F2_8 -42.49(13) . . . . ?
O1_8 C1_8 C3_8 F5_8 -44.14(13) . . . . ?
C2_8 C1_8 C3_8 F5_8 78.86(12) . . . . ?
C4_8 C1_8 C3_8 F5_8 -163.19(10) . . . . ?
O1_8 C1_8 C3_8 F4_8 75.24(13) . . . . ?
C2_8 C1_8 C3_8 F4_8 -161.76(10) . . . . ?
C4_8 C1_8 C3_8 F4_8 -43.81(13) . . . . ?
O1_8 C1_8 C3_8 F6_8 -164.85(11) . . . . ?
C2_8 C1_8 C3_8 F6_8 -41.85(15) . . . . ?
C4_8 C1_8 C3_8 F6_8 76.10(14) . . . . ?
O1_8 C1_8 C4_8 F7_8 -41.25(15) . . . . ?
C3_8 C1_8 C4_8 F7_8 77.97(14) . . . . ?
C2_8 C1_8 C4_8 F7_8 -164.00(11) . . . . ?
O1_8 C1_8 C4_8 F9_8 78.46(12) . . . . ?
C3_8 C1_8 C4_8 F9_8 -162.32(10) . . . . ?
C2_8 C1_8 C4_8 F9_8 -44.30(13) . . . . ?
O1_8 C1_8 C4_8 F8_8 -161.30(11) . . . . ?
C3_8 C1_8 C4_8 F8_8 -42.08(14) . . . . ?
C2_8 C1_8 C4_8 F8_8 75.95(14) . . . . ?
O1_7 Al1 O1_9 C1_9 -74.30(17) . . . . ?
O1_6 Al1 O1_9 C1_9 45.5(2) . . . . ?
O1_8 Al1 O1_9 C1_9 167.33(16) . . . . ?
Al1 O1_9 C1_9 C3_9 -162.15(14) . . . . ?
Al1 O1_9 C1_9 C4_9 -42.2(2) . . . . ?
Al1 O1_9 C1_9 C2_9 79.25(18) . . . . ?
O1_9 C1_9 C2_9 F1_9 -46.27(12) . . . . ?
C3_9 C1_9 C2_9 F1_9 -164.64(10) . . . . ?
C4_9 C1_9 C2_9 F1_9 76.58(11) . . . . ?
O1_9 C1_9 C2_9 F3_9 72.53(12) . . . . ?
C3_9 C1_9 C2_9 F3_9 -45.84(13) . . . . ?
C4_9 C1_9 C2_9 F3_9 -164.62(10) . . . . ?
O1_9 C1_9 C2_9 F2_9 -166.27(10) . . . . ?
C3_9 C1_9 C2_9 F2_9 75.36(13) . . . . ?
C4_9 C1_9 C2_9 F2_9 -43.42(13) . . . . ?
O1_9 C1_9 C3_9 F5_9 -46.00(15) . . . . ?
C4_9 C1_9 C3_9 F5_9 -167.29(12) . . . . ?
C2_9 C1_9 C3_9 F5_9 73.98(13) . . . . ?
O1_9 C1_9 C3_9 F4_9 73.13(13) . . . . ?
C4_9 C1_9 C3_9 F4_9 -48.16(14) . . . . ?
C2_9 C1_9 C3_9 F4_9 -166.88(10) . . . . ?
O1_9 C1_9 C3_9 F6_9 -166.45(13) . . . . ?
C4_9 C1_9 C3_9 F6_9 72.26(17) . . . . ?
C2_9 C1_9 C3_9 F6_9 -46.47(17) . . . . ?
O1_9 C1_9 C4_9 F9_9 74.67(13) . . . . ?
C3_9 C1_9 C4_9 F9_9 -166.07(11) . . . . ?
C2_9 C1_9 C4_9 F9_9 -47.73(13) . . . . ?
O1_9 C1_9 C4_9 F7_9 -44.41(13) . . . . ?
C3_9 C1_9 C4_9 F7_9 74.85(13) . . . . ?
C2_9 C1_9 C4_9 F7_9 -166.82(10) . . . . ?
O1_9 C1_9 C4_9 F8_9 -164.48(10) . . . . ?
C3_9 C1_9 C4_9 F8_9 -45.22(14) . . . . ?
C2_9 C1_9 C4_9 F8_9 73.12(12) . . . . ?
