#------------------------------------------------------------------------------
#$Date: 2022-09-06 12:55:41 +0300 (Tue, 06 Sep 2022) $
#$Revision: 277655 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/74/1567457.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_1567457
loop_
_publ_author_name
'Sellin, Malte'
'Friedmann, Christian'
'Mayländer, Maximilian'
'Richert, Sabine'
'Krossing, Ingo'
_publ_section_title
;
 Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need
 for innocent deelectronation
;
_journal_issue                   32
_journal_name_full               'Chemical Science'
_journal_page_first              9147
_journal_page_last               9158
_journal_paper_doi               10.1039/D2SC02358J
_journal_volume                  13
_journal_year                    2022
_chemical_formula_moiety         '2(C24 Al2 F55 O6), C14 O14 Ru3, C6 H2 F4'
_chemical_formula_sum            'C68 H2 Al4 F114 O26 Ru3'
_chemical_formula_weight         3811.83
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method
;
FinalCif V98 by Daniel Kratzert, Freiburg 2022,
https://dkratzert.de/finalcif.html
;
_audit_update_record
;
2022-03-18 deposited with the CCDC.	2022-07-07 downloaded from the CCDC.
;
_cell_angle_alpha                102.636(12)
_cell_angle_beta                 103.912(17)
_cell_angle_gamma                92.736(17)
_cell_formula_units_Z            1
_cell_length_a                   11.819(3)
_cell_length_b                   12.940(3)
_cell_length_c                   19.477(5)
_cell_measurement_reflns_used    9782
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.5615
_cell_measurement_theta_min      2.417
_cell_volume                     2805.5(12)
_computing_cell_refinement       'SAINT V8.40B'
_computing_data_collection
'Bruker BIS V6.2.15 Patch 4/2021-03-15 && APEX4 2021.10-0'
_computing_data_reduction        'SAINT V8.40B'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_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 0.991
_diffrn_measured_fraction_theta_max 0.993
_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  0.0779
_diffrn_reflns_av_unetI/netI     0.0343
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            227209
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.107
_diffrn_reflns_theta_min         1.622
_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    0.689
_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_correction_T_min  0.6919
_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            colourless
_exptl_crystal_density_diffrn    2.256
_exptl_crystal_description       plate
_exptl_crystal_F_000             1828
_exptl_crystal_recrystallization_method
'diffusion of n-pentane in 1,2,3,4-tetrafluorobenzene'
_exptl_crystal_size_max          0.231
_exptl_crystal_size_mid          0.134
_exptl_crystal_size_min          0.115
_refine_diff_density_max         0.877
_refine_diff_density_min         -0.805
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1265
_refine_ls_number_reflns         19545
_refine_ls_number_restraints     10839
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0513
_refine_ls_R_factor_gt           0.0382
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0388P)²+3.3326P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0869
_refine_ls_wR_factor_ref         0.0962
_reflns_Friedel_coverage         0.000
_reflns_number_gt                15945
_reflns_number_total             19545
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc02358j2.cif
_cod_data_source_block           p-1_a_CCDC3
_cod_depositor_comments
'Adding full bibliography for 1567449--1567458.cif.'
_cod_database_code               1567457
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.857
_shelx_estimated_absorpt_t_max   0.925
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.04897(2) 0.08141(2) 0.65584(2) 0.01560(4) Uani 1 1 d . . . . .
Ru2 Ru 0.000000 0.000000 0.500000 0.01413(4) Uani 1 2 d S . P . .
Al1 Al 0.66650(5) 0.54907(5) 0.80351(3) 0.01610(10) Uani 1 1 d . . . . .
Al2 Al 0.59089(5) 0.80376(5) 0.78366(3) 0.01610(10) Uani 1 1 d . . . . .
F1 F 0.62391(10) 0.67519(9) 0.79338(6) 0.0198(2) Uani 1 1 d . . . . .
C3 C -0.12003(18) 0.10187(16) 0.63674(11) 0.0205(4) Uani 1 1 d . . . . .
O3 O -0.21580(14) 0.11279(14) 0.62393(9) 0.0287(3) Uani 1 1 d . . . . .
O4 O -0.00724(15) -0.14811(13) 0.67128(10) 0.0292(3) Uani 1 1 d . . . . .
O5 O 0.30189(13) 0.02908(13) 0.65431(9) 0.0253(3) Uani 1 1 d . . . . .
O6 O -0.13858(14) 0.19193(13) 0.47829(9) 0.0282(3) Uani 1 1 d . . . . .
O7 O -0.23014(14) -0.12495(14) 0.49817(9) 0.0276(3) Uani 1 1 d . . . . .
C1 C 0.08557(18) 0.14271(16) 0.76292(11) 0.0215(4) Uani 1 1 d . . . . .
C2 C 0.07996(17) 0.22062(16) 0.63457(11) 0.0195(3) Uani 1 1 d . . . . .
O1 O 0.10750(15) 0.17836(14) 0.82260(8) 0.0291(3) Uani 1 1 d . . . . .
O2 O 0.09560(14) 0.30003(12) 0.62199(9) 0.0254(3) Uani 1 1 d . . . . .
C4 C 0.01245(18) -0.06607(17) 0.66503(11) 0.0212(4) Uani 1 1 d . . . . .
C5 C 0.21128(17) 0.04906(16) 0.65594(10) 0.0195(3) Uani 1 1 d . . . . .
C6 C -0.08740(17) 0.12199(16) 0.48537(11) 0.0189(3) Uani 1 1 d . . . . .
C7 C -0.14501(17) -0.08023(16) 0.49970(10) 0.0194(3) Uani 1 1 d . . . . .
O1_1 O 0.54759(15) 0.46273(13) 0.75283(9) 0.0295(3) Uani 1 1 d D U . . .
C1_1 C 0.46670(18) 0.38248(16) 0.74832(11) 0.0226(4) Uani 1 1 d D U . . .
C2_1 C 0.4400(2) 0.31070(18) 0.66981(13) 0.0283(4) Uani 1 1 d D U . . .
F1_1 F 0.52392(15) 0.24750(14) 0.66294(10) 0.0459(4) Uani 1 1 d D U . . .
F2_1 F 0.33828(13) 0.24745(11) 0.65244(8) 0.0354(3) Uani 1 1 d D U . . .
F3_1 F 0.43106(14) 0.36769(13) 0.62082(8) 0.0372(3) Uani 1 1 d D U . . .
C3_1 C 0.3530(2) 0.42942(19) 0.76188(13) 0.0305(5) Uani 1 1 d D U . . .
F4_1 F 0.37839(16) 0.51010(14) 0.81953(9) 0.0459(4) Uani 1 1 d D U . . .
F5_1 F 0.29694(14) 0.46443(12) 0.70479(9) 0.0389(3) Uani 1 1 d D U . . .
F6_1 F 0.27810(14) 0.35648(15) 0.77227(9) 0.0434(4) Uani 1 1 d D U . . .
C4_1 C 0.5101(2) 0.31553(19) 0.80502(14) 0.0320(5) Uani 1 1 d D U . . .
F7_1 F 0.50159(15) 0.36364(13) 0.87061(8) 0.0388(3) Uani 1 1 d D U . . .
F8_1 F 0.44849(18) 0.21958(13) 0.78585(11) 0.0528(5) Uani 1 1 d D U . . .
F9_1 F 0.62231(15) 0.30091(15) 0.80990(10) 0.0470(4) Uani 1 1 d D U . . .
O1_3 O 0.69207(13) 0.54450(12) 0.89242(8) 0.0220(3) Uani 1 1 d D U . . .
C1_3 C 0.74321(17) 0.59508(17) 0.96304(11) 0.0222(4) Uani 1 1 d D U . . .
C2_3 C 0.86382(19) 0.65497(19) 0.96937(12) 0.0270(4) Uani 1 1 d D U . . .
F1_3 F 0.94498(12) 0.58751(14) 0.96598(9) 0.0401(4) Uani 1 1 d D U . . .
F2_3 F 0.90155(14) 0.73041(14) 1.03055(8) 0.0414(4) Uani 1 1 d D U . . .
F3_3 F 0.85527(14) 0.70059(12) 0.91364(8) 0.0350(3) Uani 1 1 d D U . . .
C3_3 C 0.6617(2) 0.6762(2) 0.99023(13) 0.0333(5) Uani 1 1 d D U . . .
F4_3 F 0.55095(13) 0.63222(16) 0.96981(10) 0.0473(4) Uani 1 1 d D U . . .
F5_3 F 0.66538(16) 0.76024(14) 0.96155(10) 0.0461(4) Uani 1 1 d D U . . .
F6_3 F 0.69017(15) 0.71117(17) 1.06237(9) 0.0506(5) Uani 1 1 d D U . . .
C4_3 C 0.7599(2) 0.5108(2) 1.00918(14) 0.0374(6) Uani 1 1 d D U . . .
F7_3 F 0.65867(16) 0.47787(17) 1.01987(10) 0.0522(5) Uani 1 1 d D U . . .
F8_3 F 0.83424(17) 0.55058(18) 1.07442(9) 0.0573(5) Uani 1 1 d D U . . .
F9_3 F 0.80147(16) 0.42641(15) 0.97580(11) 0.0501(4) Uani 1 1 d D U . . .
O1_5 O 0.48920(14) 0.83500(15) 0.83146(8) 0.0282(3) Uani 1 1 d D U . . .
C1_5 C 0.37688(17) 0.85056(16) 0.83119(11) 0.0200(3) Uani 1 1 d D U . . .
C2_5 C 0.3623(2) 0.97032(19) 0.83750(14) 0.0356(5) Uani 1 1 d D U . . .
F1_5 F 0.40500(17) 1.02780(13) 0.90481(9) 0.0483(4) Uani 1 1 d D U . . .
F2_5 F 0.24916(17) 0.98724(15) 0.81613(11) 0.0591(6) Uani 1 1 d D U . . .
F3_5 F 0.41723(18) 1.00728(13) 0.79405(10) 0.0518(5) Uani 1 1 d D U . . .
C3_5 C 0.28980(19) 0.78379(17) 0.76058(12) 0.0248(4) Uani 1 1 d D U . . .
F4_5 F 0.32608(15) 0.68863(11) 0.74132(8) 0.0368(3) Uani 1 1 d D U . . .
F5_5 F 0.28404(12) 0.83011(11) 0.70444(7) 0.0281(3) Uani 1 1 d D U . . .
F6_5 F 0.18148(13) 0.77015(15) 0.76730(9) 0.0425(4) Uani 1 1 d D U . . .
C4_5 C 0.3495(2) 0.8171(2) 0.89797(13) 0.0319(5) Uani 1 1 d D U . . .
F7_5 F 0.33636(19) 0.71193(14) 0.88621(9) 0.0516(5) Uani 1 1 d D U . . .
F8_5 F 0.25169(15) 0.85344(18) 0.91086(9) 0.0522(5) Uani 1 1 d D U . . .
F9_5 F 0.43633(14) 0.85445(14) 0.95725(7) 0.0371(3) Uani 1 1 d D U . . .
O1_6 O 0.53346(13) 0.79542(12) 0.69266(7) 0.0212(3) Uani 1 1 d D U . . .
C1_6 C 0.54569(17) 0.76295(17) 0.62396(11) 0.0209(4) Uani 1 1 d D U . . .
C2_6 C 0.4950(2) 0.8441(2) 0.57948(12) 0.0282(4) Uani 1 1 d D U . . .
F1_6 F 0.37798(13) 0.83314(15) 0.56304(9) 0.0423(4) Uani 1 1 d D U . . .
F2_6 F 0.52616(14) 0.83111(15) 0.51705(8) 0.0394(4) Uani 1 1 d D U . . .
F3_6 F 0.52918(15) 0.94362(13) 0.61739(9) 0.0396(3) Uani 1 1 d D U . . .
C3_6 C 0.67759(19) 0.75878(19) 0.62489(12) 0.0264(4) Uani 1 1 d D U . . .
F4_6 F 0.73280(13) 0.71998(13) 0.67983(8) 0.0349(3) Uani 1 1 d D U . . .
F5_6 F 0.73071(12) 0.85768(13) 0.63519(8) 0.0345(3) Uani 1 1 d D U . . .
F6_6 F 0.69272(13) 0.69997(13) 0.56336(8) 0.0348(3) Uani 1 1 d D U . . .
C4_6 C 0.4787(2) 0.6510(2) 0.58839(13) 0.0330(5) Uani 1 1 d D U . . .
F7_6 F 0.53812(18) 0.57841(12) 0.61699(10) 0.0470(4) Uani 1 1 d D U . . .
F8_6 F 0.46460(16) 0.62393(14) 0.51654(8) 0.0448(4) Uani 1 1 d D U . . .
F9_6 F 0.37376(15) 0.64619(15) 0.60091(10) 0.0502(5) Uani 1 1 d D U . . .
F1_7 F 0.0879(8) 0.3087(8) 0.4664(6) 0.0343(16) Uani 0.5 1 d D U P A -1
F2_7 F -0.1259(3) 0.3477(2) 0.39840(15) 0.0333(6) Uani 0.5 1 d D U P A -1
F3_7 F -0.2017(2) 0.5425(2) 0.43890(17) 0.0352(7) Uani 0.5 1 d D U P A -1
F4_7 F -0.0603(8) 0.6980(8) 0.5417(6) 0.0372(19) Uani 0.5 1 d D U P A -1
C1_7 C 0.0528(7) 0.4061(7) 0.4887(5) 0.0240(14) Uani 0.5 1 d D U P A -1
C2_7 C -0.0562(7) 0.4243(7) 0.4527(4) 0.0249(14) Uani 0.5 1 d D U P A -1
C3_7 C -0.0959(7) 0.5231(7) 0.4727(5) 0.0249(14) Uani 0.5 1 d D U P A -1
C4_7 C -0.0220(7) 0.6001(7) 0.5265(4) 0.0233(14) Uani 0.5 1 d D U P A -1
C5_7 C 0.0864(7) 0.5821(7) 0.5620(4) 0.0240(14) Uani 0.5 1 d D U P A -1
H5_7 H 0.135044 0.636624 0.599843 0.029 Uiso 0.5 1 calc R U P A -1
C6_7 C 0.1254(7) 0.4823(7) 0.5420(5) 0.0250(15) Uani 0.5 1 d D U P A -1
H6_7 H 0.201438 0.468291 0.565463 0.030 Uiso 0.5 1 calc R U P A -1
O1_8 O 0.7247(2) 0.8776(2) 0.8213(2) 0.0246(5) Uani 0.880(4) 1 d D U P B 1
C1_8 C 0.7910(2) 0.9719(2) 0.85433(15) 0.0223(4) Uani 0.880(4) 1 d D U P B 1
C2_8 C 0.7757(3) 1.0481(2) 0.80243(17) 0.0317(5) Uani 0.880(4) 1 d D U P B 1
F1_8 F 0.8392(2) 1.01718(19) 0.75237(11) 0.0475(6) Uani 0.880(4) 1 d D U P B 1
F2_8 F 0.8161(3) 1.1488(2) 0.8364(2) 0.0429(7) Uani 0.880(4) 1 d D U P B 1
F3_8 F 0.6664(2) 1.0431(2) 0.76516(14) 0.0463(6) Uani 0.880(4) 1 d D U P B 1
C3_8 C 0.7593(3) 1.0246(3) 0.92554(18) 0.0453(8) Uani 0.880(4) 1 d D U P B 1
F4_8 F 0.7392(3) 0.9579(3) 0.96203(13) 0.0747(10) Uani 0.880(4) 1 d D U P B 1
F5_8 F 0.6562(2) 1.0698(2) 0.90597(16) 0.0658(8) Uani 0.880(4) 1 d D U P B 1
F6_8 F 0.8405(2) 1.1020(2) 0.96762(14) 0.0478(7) Uani 0.880(4) 1 d D U P B 1
C4_8 C 0.9214(3) 0.9482(2) 0.87284(19) 0.0366(6) Uani 0.880(4) 1 d D U P B 1
F7_8 F 0.9443(2) 0.90834(18) 0.93272(14) 0.0607(8) Uani 0.880(4) 1 d D U P B 1
F8_8 F 0.9959(2) 1.0352(2) 0.88890(18) 0.0423(6) Uani 0.880(4) 1 d D U P B 1
F9_8 F 0.9441(2) 0.8769(2) 0.82155(17) 0.0572(7) Uani 0.880(4) 1 d D U P B 1
O1_9 O 0.703(2) 0.8847(19) 0.8214(17) 0.030(3) Uani 0.120(4) 1 d D U P B 2
C1_9 C 0.7804(14) 0.9715(15) 0.8555(8) 0.0318(16) Uani 0.120(4) 1 d D U P B 2
C2_9 C 0.9016(14) 0.9484(14) 0.8976(9) 0.040(2) Uani 0.120(4) 1 d D U P B 2
F1_9 F 0.8814(15) 0.9290(12) 0.9607(7) 0.047(3) Uani 0.120(4) 1 d D U P B 2
F2_9 F 0.980(2) 1.0332(18) 0.9061(13) 0.048(4) Uani 0.120(4) 1 d D U P B 2
F3_9 F 0.9398(15) 0.8677(14) 0.8572(10) 0.050(3) Uani 0.120(4) 1 d D U P B 2
C3_9 C 0.8108(15) 1.0329(15) 0.8005(9) 0.042(2) Uani 0.120(4) 1 d D U P B 2
F4_9 F 0.7098(16) 1.0383(18) 0.7541(11) 0.054(4) Uani 0.120(4) 1 d D U P B 2
F5_9 F 0.8972(14) 0.9764(13) 0.7770(9) 0.055(3) Uani 0.120(4) 1 d D U P B 2
F6_9 F 0.843(2) 1.1360(15) 0.8339(17) 0.046(4) Uani 0.120(4) 1 d D U P B 2
C4_9 C 0.7246(15) 1.0447(13) 0.9104(9) 0.038(2) Uani 0.120(4) 1 d D U P B 2
F7_9 F 0.6552(16) 1.0995(14) 0.8673(10) 0.061(4) Uani 0.120(4) 1 d D U P B 2
F8_9 F 0.8032(17) 1.1181(17) 0.9596(11) 0.0478(7) Uani 0.120(4) 1 d D U P B 2
F9_9 F 0.6839(12) 0.9847(11) 0.9479(8) 0.030(2) Uani 0.120(4) 1 d D U P B 2
O1_10 O 0.7818(3) 0.5405(3) 0.7645(2) 0.0217(5) Uani 0.921(2) 1 d D U P C 1
C1_10 C 0.8595(2) 0.4843(2) 0.73565(14) 0.0206(4) Uani 0.921(2) 1 d D U P C 1
C2_10 C 0.9741(2) 0.5597(2) 0.75120(15) 0.0274(5) Uani 0.921(2) 1 d D U P C 1
F1_10 F 1.03352(14) 0.57600(15) 0.82055(9) 0.0383(4) Uani 0.921(2) 1 d D U P C 1
F2_10 F 1.0449(2) 0.5197(2) 0.70967(13) 0.0384(5) Uani 0.921(2) 1 d D U P C 1
F3_10 F 0.94955(14) 0.65318(13) 0.73816(11) 0.0369(4) Uani 0.921(2) 1 d D U P C
1
C3_10 C 0.8084(2) 0.4423(2) 0.65181(15) 0.0272(5) Uani 0.921(2) 1 d D U P C 1
F4_10 F 0.69740(14) 0.40279(15) 0.63633(9) 0.0354(4) Uani 0.921(2) 1 d D U P C 1
F5_10 F 0.81246(17) 0.52011(15) 0.61740(9) 0.0366(4) Uani 0.921(2) 1 d D U P C 1
F6_10 F 0.8672(2) 0.36490(18) 0.62279(14) 0.0386(5) Uani 0.921(2) 1 d D U P C 1
C4_10 C 0.8879(3) 0.3874(2) 0.76996(15) 0.0286(5) Uani 0.921(2) 1 d D U P C 1
F7_10 F 0.80280(17) 0.30735(13) 0.74048(10) 0.0408(4) Uani 0.921(2) 1 d D U P C
1
F8_10 F 0.98834(19) 0.34977(18) 0.75915(12) 0.0421(5) Uani 0.921(2) 1 d D U P C
1
F9_10 F 0.89845(18) 0.41316(14) 0.84077(9) 0.0364(4) Uani 0.921(2) 1 d D U P C 1
O1_13 O 0.777(3) 0.542(3) 0.760(2) 0.026(4) Uani 0.079(2) 1 d D U P C 2
C1_13 C 0.8558(17) 0.4858(14) 0.7315(10) 0.025(2) Uani 0.079(2) 1 d D U P C 2
C2_13 C 0.8960(17) 0.4002(15) 0.7745(10) 0.032(3) Uani 0.079(2) 1 d D U P C 2
F1_13 F 0.9728(17) 0.4453(14) 0.8381(9) 0.038(3) Uani 0.079(2) 1 d D U P C 2
F2_13 F 0.946(2) 0.3234(17) 0.7375(12) 0.034(3) Uani 0.079(2) 1 d D U P C 2
F3_13 F 0.8044(14) 0.3542(14) 0.7895(11) 0.035(3) Uani 0.079(2) 1 d D U P C 2
C3_13 C 0.7977(17) 0.4289(15) 0.6506(10) 0.029(3) Uani 0.079(2) 1 d D U P C 2
F4_13 F 0.7355(17) 0.4928(14) 0.6148(9) 0.033(3) Uani 0.079(2) 1 d D U P C 2
F5_13 F 0.7242(16) 0.3451(14) 0.6465(11) 0.039(3) Uani 0.079(2) 1 d D U P C 2
F6_13 F 0.882(2) 0.395(2) 0.6184(17) 0.034(4) Uani 0.079(2) 1 d D U P C 2
C4_13 C 0.9644(18) 0.5619(14) 0.7358(10) 0.033(3) Uani 0.079(2) 1 d D U P C 2
F7_13 F 0.9413(16) 0.6188(14) 0.6856(10) 0.035(3) Uani 0.079(2) 1 d D U P C 2
F8_13 F 1.053(2) 0.503(2) 0.7275(15) 0.035(4) Uani 0.079(2) 1 d D U P C 2
F9_13 F 1.0010(16) 0.6296(15) 0.8009(9) 0.036(3) Uani 0.079(2) 1 d D U P C 2
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'
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'
Ru Ru -1.2594 0.8363 '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
C2 Ru1 C5 90.84(8) . . ?
C2 Ru1 C3 88.96(8) . . ?
C5 Ru1 C3 169.70(8) . . ?
C2 Ru1 C4 173.43(8) . . ?
C5 Ru1 C4 88.95(8) . . ?
C3 Ru1 C4 90.07(9) . . ?
C2 Ru1 C1 93.18(8) . . ?
C5 Ru1 C1 94.84(8) . . ?
C3 Ru1 C1 95.45(8) . . ?
C4 Ru1 C1 93.37(8) . . ?
C2 Ru1 Ru2 84.70(6) . . ?
C5 Ru1 Ru2 84.67(6) . . ?
C3 Ru1 Ru2 85.06(6) . . ?
C4 Ru1 Ru2 88.75(6) . . ?
C1 Ru1 Ru2 177.82(6) . . ?
C7 Ru2 C7 180.00(10) 2_556 . ?
C7 Ru2 C6 90.44(8) 2_556 . ?
C7 Ru2 C6 89.56(8) . . ?
C7 Ru2 C6 89.56(8) 2_556 2_556 ?
C7 Ru2 C6 90.44(8) . 2_556 ?
C6 Ru2 C6 180.0 . 2_556 ?
C7 Ru2 Ru1 90.47(6) 2_556 2_556 ?
C7 Ru2 Ru1 89.53(6) . 2_556 ?
C6 Ru2 Ru1 90.19(6) . 2_556 ?
C6 Ru2 Ru1 89.81(6) 2_556 2_556 ?
C7 Ru2 Ru1 89.53(6) 2_556 . ?
C7 Ru2 Ru1 90.47(6) . . ?
C6 Ru2 Ru1 89.80(6) . . ?
C6 Ru2 Ru1 90.20(6) 2_556 . ?
Ru1 Ru2 Ru1 180.0 2_556 . ?
O1_3 Al1 O1_1 109.98(8) . . ?
O1_3 Al1 O1_10 118.17(14) . . ?
O1_1 Al1 O1_10 112.62(15) . . ?
O1_3 Al1 O1_13 121.5(15) . . ?
O1_1 Al1 O1_13 110.8(15) . . ?
O1_3 Al1 F1 109.67(7) . . ?
O1_1 Al1 F1 103.85(8) . . ?
O1_10 Al1 F1 101.20(13) . . ?
O1_13 Al1 F1 99.1(14) . . ?
O1_9 Al2 O1_5 107.8(11) . . ?
O1_5 Al2 O1_8 114.49(14) . . ?
O1_9 Al2 O1_6 115.7(13) . . ?
O1_5 Al2 O1_6 111.13(8) . . ?
O1_8 Al2 O1_6 115.23(16) . . ?
O1_9 Al2 F1 109.1(11) . . ?
O1_5 Al2 F1 105.01(8) . . ?
O1_8 Al2 F1 102.19(13) . . ?
O1_6 Al2 F1 107.59(7) . . ?
Al2 F1 Al1 176.30(8) . . ?
O3 C3 Ru1 178.08(18) . . ?
O1 C1 Ru1 178.7(2) . . ?
O2 C2 Ru1 178.80(18) . . ?
O4 C4 Ru1 178.9(2) . . ?
O5 C5 Ru1 178.24(19) . . ?
O6 C6 Ru2 178.42(18) . . ?
O7 C7 Ru2 178.07(19) . . ?
C1_1 O1_1 Al1 148.81(15) . . ?
O1_1 C1_1 C2_1 107.14(17) . . ?
O1_1 C1_1 C4_1 112.27(18) . . ?
C2_1 C1_1 C4_1 110.03(18) . . ?
O1_1 C1_1 C3_1 109.34(18) . . ?
C2_1 C1_1 C3_1 109.56(17) . . ?
C4_1 C1_1 C3_1 108.47(18) . . ?
F3_1 C2_1 F1_1 108.1(2) . . ?
F3_1 C2_1 F2_1 106.92(19) . . ?
F1_1 C2_1 F2_1 107.16(19) . . ?
F3_1 C2_1 C1_1 111.66(18) . . ?
F1_1 C2_1 C1_1 110.87(19) . . ?
F2_1 C2_1 C1_1 111.89(18) . . ?
F4_1 C3_1 F5_1 108.1(2) . . ?
F4_1 C3_1 F6_1 108.3(2) . . ?
F5_1 C3_1 F6_1 107.3(2) . . ?
F4_1 C3_1 C1_1 110.52(19) . . ?
F5_1 C3_1 C1_1 110.44(19) . . ?
F6_1 C3_1 C1_1 112.01(19) . . ?
F7_1 C4_1 F9_1 107.7(2) . . ?
F7_1 C4_1 F8_1 108.0(2) . . ?
F9_1 C4_1 F8_1 107.9(2) . . ?
F7_1 C4_1 C1_1 111.7(2) . . ?
F9_1 C4_1 C1_1 110.0(2) . . ?
F8_1 C4_1 C1_1 111.3(2) . . ?
C1_3 O1_3 Al1 146.80(14) . . ?
O1_3 C1_3 C4_3 108.54(19) . . ?
O1_3 C1_3 C3_3 108.85(17) . . ?
C4_3 C1_3 C3_3 109.82(19) . . ?
O1_3 C1_3 C2_3 110.20(17) . . ?
C4_3 C1_3 C2_3 110.00(18) . . ?
C3_3 C1_3 C2_3 109.41(19) . . ?
F2_3 C2_3 F3_3 108.0(2) . . ?
F2_3 C2_3 F1_3 108.30(19) . . ?
F3_3 C2_3 F1_3 107.14(18) . . ?
F2_3 C2_3 C1_3 112.97(18) . . ?
F3_3 C2_3 C1_3 109.39(18) . . ?
F1_3 C2_3 C1_3 110.82(19) . . ?
F5_3 C3_3 F6_3 107.9(2) . . ?
F5_3 C3_3 F4_3 107.4(2) . . ?
F6_3 C3_3 F4_3 107.4(2) . . ?
F5_3 C3_3 C1_3 110.38(19) . . ?
F6_3 C3_3 C1_3 113.0(2) . . ?
F4_3 C3_3 C1_3 110.5(2) . . ?
F9_3 C4_3 F7_3 107.6(2) . . ?
F9_3 C4_3 F8_3 108.4(2) . . ?
F7_3 C4_3 F8_3 107.8(2) . . ?
F9_3 C4_3 C1_3 110.7(2) . . ?
F7_3 C4_3 C1_3 111.1(2) . . ?
F8_3 C4_3 C1_3 111.2(2) . . ?
C1_5 O1_5 Al2 148.71(14) . . ?
O1_5 C1_5 C2_5 108.83(19) . . ?
O1_5 C1_5 C3_5 111.64(16) . . ?
C2_5 C1_5 C3_5 109.39(17) . . ?
O1_5 C1_5 C4_5 108.54(17) . . ?
C2_5 C1_5 C4_5 109.43(18) . . ?
C3_5 C1_5 C4_5 108.97(18) . . ?
F1_5 C2_5 F3_5 108.6(2) . . ?
F1_5 C2_5 F2_5 107.6(2) . . ?
F3_5 C2_5 F2_5 106.5(2) . . ?
F1_5 C2_5 C1_5 112.1(2) . . ?
F3_5 C2_5 C1_5 109.8(2) . . ?
F2_5 C2_5 C1_5 111.9(2) . . ?
F6_5 C3_5 F4_5 108.55(19) . . ?
F6_5 C3_5 F5_5 106.92(18) . . ?
F4_5 C3_5 F5_5 106.62(17) . . ?
F6_5 C3_5 C1_5 113.15(18) . . ?
F4_5 C3_5 C1_5 109.92(18) . . ?
F5_5 C3_5 C1_5 111.40(17) . . ?
F7_5 C4_5 F9_5 108.0(2) . . ?
F7_5 C4_5 F8_5 108.1(2) . . ?
F9_5 C4_5 F8_5 108.27(19) . . ?
F7_5 C4_5 C1_5 110.27(18) . . ?
F9_5 C4_5 C1_5 110.70(19) . . ?
F8_5 C4_5 C1_5 111.3(2) . . ?
C1_6 O1_6 Al2 147.10(14) . . ?
O1_6 C1_6 C4_6 109.41(17) . . ?
O1_6 C1_6 C2_6 108.72(17) . . ?
C4_6 C1_6 C2_6 110.14(18) . . ?
O1_6 C1_6 C3_6 110.55(16) . . ?
C4_6 C1_6 C3_6 109.42(18) . . ?
C2_6 C1_6 C3_6 108.59(17) . . ?
F3_6 C2_6 F2_6 108.6(2) . . ?
F3_6 C2_6 F1_6 106.4(2) . . ?
F2_6 C2_6 F1_6 107.34(18) . . ?
F3_6 C2_6 C1_6 111.38(18) . . ?
F2_6 C2_6 C1_6 112.18(18) . . ?
F1_6 C2_6 C1_6 110.71(19) . . ?
F4_6 C3_6 F6_6 108.81(19) . . ?
F4_6 C3_6 F5_6 106.70(19) . . ?
F6_6 C3_6 F5_6 107.83(18) . . ?
F4_6 C3_6 C1_6 110.22(17) . . ?
F6_6 C3_6 C1_6 112.51(18) . . ?
F5_6 C3_6 C1_6 110.57(18) . . ?
F9_6 C4_6 F8_6 107.9(2) . . ?
F9_6 C4_6 F7_6 108.0(2) . . ?
F8_6 C4_6 F7_6 108.0(2) . . ?
F9_6 C4_6 C1_6 110.7(2) . . ?
F8_6 C4_6 C1_6 112.7(2) . . ?
F7_6 C4_6 C1_6 109.5(2) . . ?
C6_7 C1_7 F1_7 120.7(7) . . ?
C6_7 C1_7 C2_7 122.2(7) . . ?
F1_7 C1_7 C2_7 117.0(7) . . ?
F2_7 C2_7 C1_7 121.0(6) . . ?
F2_7 C2_7 C3_7 119.6(6) . . ?
C1_7 C2_7 C3_7 119.4(6) . . ?
F3_7 C3_7 C4_7 121.2(6) . . ?
F3_7 C3_7 C2_7 120.5(6) . . ?
C4_7 C3_7 C2_7 118.2(6) . . ?
C5_7 C4_7 F4_7 120.7(7) . . ?
C5_7 C4_7 C3_7 122.3(6) . . ?
F4_7 C4_7 C3_7 116.9(7) . . ?
C4_7 C5_7 C6_7 119.2(6) . . ?
C4_7 C5_7 H5_7 120.4 . . ?
C6_7 C5_7 H5_7 120.4 . . ?
C1_7 C6_7 C5_7 118.6(6) . . ?
C1_7 C6_7 H6_7 120.7 . . ?
C5_7 C6_7 H6_7 120.7 . . ?
C1_8 O1_8 Al2 151.0(3) . . ?
O1_8 C1_8 C3_8 111.2(3) . . ?
O1_8 C1_8 C2_8 110.5(3) . . ?
C3_8 C1_8 C2_8 110.0(3) . . ?
O1_8 C1_8 C4_8 107.3(2) . . ?
C3_8 C1_8 C4_8 109.0(3) . . ?
C2_8 C1_8 C4_8 108.8(2) . . ?
F3_8 C2_8 F2_8 109.9(3) . . ?
F3_8 C2_8 F1_8 106.4(3) . . ?
F2_8 C2_8 F1_8 106.4(3) . . ?
F3_8 C2_8 C1_8 112.0(2) . . ?
F2_8 C2_8 C1_8 113.1(3) . . ?
F1_8 C2_8 C1_8 108.6(2) . . ?
F4_8 C3_8 F6_8 109.9(3) . . ?
F4_8 C3_8 F5_8 106.6(3) . . ?
F6_8 C3_8 F5_8 107.6(3) . . ?
F4_8 C3_8 C1_8 113.2(3) . . ?
F6_8 C3_8 C1_8 112.2(3) . . ?
F5_8 C3_8 C1_8 107.1(3) . . ?
F9_8 C4_8 F8_8 110.1(3) . . ?
F9_8 C4_8 F7_8 106.2(3) . . ?
F8_8 C4_8 F7_8 105.9(3) . . ?
F9_8 C4_8 C1_8 112.2(3) . . ?
F8_8 C4_8 C1_8 112.6(3) . . ?
F7_8 C4_8 C1_8 109.5(3) . . ?
C1_9 O1_9 Al2 166(2) . . ?
O1_9 C1_9 C2_9 115.1(15) . . ?
O1_9 C1_9 C4_9 107.5(14) . . ?
C2_9 C1_9 C4_9 108.4(11) . . ?
O1_9 C1_9 C3_9 111.8(16) . . ?
C2_9 C1_9 C3_9 103.6(11) . . ?
C4_9 C1_9 C3_9 110.4(11) . . ?
F3_9 C2_9 F2_9 104.5(15) . . ?
F3_9 C2_9 F1_9 114.5(14) . . ?
F2_9 C2_9 F1_9 116.1(14) . . ?
F3_9 C2_9 C1_9 110.1(13) . . ?
F2_9 C2_9 C1_9 107.8(14) . . ?
F1_9 C2_9 C1_9 103.7(11) . . ?
F4_9 C3_9 F6_9 101.5(15) . . ?
F4_9 C3_9 F5_9 120.9(16) . . ?
F6_9 C3_9 F5_9 115.8(15) . . ?
F4_9 C3_9 C1_9 106.3(13) . . ?
F6_9 C3_9 C1_9 109.7(16) . . ?
F5_9 C3_9 C1_9 102.3(11) . . ?
F9_9 C4_9 F8_9 105.5(14) . . ?
F9_9 C4_9 F7_9 123.3(16) . . ?
F8_9 C4_9 F7_9 105.5(14) . . ?
F9_9 C4_9 C1_9 107.8(12) . . ?
F8_9 C4_9 C1_9 112.5(14) . . ?
F7_9 C4_9 C1_9 102.5(12) . . ?
C1_10 O1_10 Al1 151.6(3) . . ?
O1_10 C1_10 C2_10 108.1(2) . . ?
O1_10 C1_10 C4_10 111.2(2) . . ?
C2_10 C1_10 C4_10 109.3(2) . . ?
O1_10 C1_10 C3_10 109.8(2) . . ?
C2_10 C1_10 C3_10 109.7(2) . . ?
C4_10 C1_10 C3_10 108.7(2) . . ?
F3_10 C2_10 F1_10 107.9(2) . . ?
F3_10 C2_10 F2_10 107.7(2) . . ?
F1_10 C2_10 F2_10 107.9(2) . . ?
F3_10 C2_10 C1_10 110.6(2) . . ?
F1_10 C2_10 C1_10 110.5(2) . . ?
F2_10 C2_10 C1_10 112.0(2) . . ?
F4_10 C3_10 F5_10 107.5(2) . . ?
F4_10 C3_10 F6_10 107.3(2) . . ?
F5_10 C3_10 F6_10 107.2(2) . . ?
F4_10 C3_10 C1_10 110.9(2) . . ?
F5_10 C3_10 C1_10 111.2(2) . . ?
F6_10 C3_10 C1_10 112.4(2) . . ?
F9_10 C4_10 F7_10 107.7(2) . . ?
F9_10 C4_10 F8_10 107.8(2) . . ?
F7_10 C4_10 F8_10 107.1(2) . . ?
F9_10 C4_10 C1_10 111.3(2) . . ?
F7_10 C4_10 C1_10 110.8(2) . . ?
F8_10 C4_10 C1_10 112.0(2) . . ?
C1_13 O1_13 Al1 150(3) . . ?
O1_13 C1_13 C4_13 109.8(19) . . ?
O1_13 C1_13 C2_13 110.3(19) . . ?
C4_13 C1_13 C2_13 109.1(12) . . ?
O1_13 C1_13 C3_13 109.3(18) . . ?
C4_13 C1_13 C3_13 109.5(12) . . ?
C2_13 C1_13 C3_13 108.8(12) . . ?
F3_13 C2_13 F1_13 107.2(16) . . ?
F3_13 C2_13 F2_13 107.8(16) . . ?
F1_13 C2_13 F2_13 108.5(16) . . ?
F3_13 C2_13 C1_13 110.0(14) . . ?
F1_13 C2_13 C1_13 110.5(14) . . ?
F2_13 C2_13 C1_13 112.6(15) . . ?
F4_13 C3_13 F5_13 106.9(15) . . ?
F4_13 C3_13 F6_13 109.8(17) . . ?
F5_13 C3_13 F6_13 108.9(17) . . ?
F4_13 C3_13 C1_13 112.0(14) . . ?
F5_13 C3_13 C1_13 110.5(14) . . ?
F6_13 C3_13 C1_13 108.7(16) . . ?
F9_13 C4_13 F7_13 107.9(15) . . ?
F9_13 C4_13 F8_13 106.4(17) . . ?
F7_13 C4_13 F8_13 110.6(17) . . ?
F9_13 C4_13 C1_13 111.6(14) . . ?
F7_13 C4_13 C1_13 111.6(14) . . ?
F8_13 C4_13 C1_13 108.5(16) . . ?
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
Ru1 C2 1.972(2) . ?
Ru1 C5 1.983(2) . ?
Ru1 C3 1.983(2) . ?
Ru1 C4 1.992(2) . ?
Ru1 C1 1.994(2) . ?
Ru1 Ru2 2.8907(7) . ?
Ru2 C7 1.959(2) 2_556 ?
Ru2 C7 1.959(2) . ?
Ru2 C6 1.962(2) . ?
Ru2 C6 1.962(2) 2_556 ?
Al1 O1_3 1.6996(16) . ?
Al1 O1_1 1.7024(17) . ?
Al1 O1_10 1.709(3) . ?
Al1 O1_13 1.72(3) . ?
Al1 F1 1.7683(14) . ?
Al2 O1_9 1.567(19) . ?
Al2 O1_5 1.7013(16) . ?
Al2 O1_8 1.716(3) . ?
Al2 O1_6 1.7160(16) . ?
Al2 F1 1.7665(13) . ?
C3 O3 1.122(3) . ?
O4 C4 1.115(3) . ?
O5 C5 1.120(2) . ?
O6 C6 1.127(3) . ?
O7 C7 1.127(2) . ?
C1 O1 1.114(3) . ?
C2 O2 1.124(3) . ?
O1_1 C1_1 1.351(2) . ?
C1_1 C2_1 1.555(3) . ?
C1_1 C4_1 1.556(3) . ?
C1_1 C3_1 1.557(3) . ?
C2_1 F3_1 1.316(3) . ?
C2_1 F1_1 1.328(3) . ?
C2_1 F2_1 1.348(3) . ?
C3_1 F4_1 1.318(3) . ?
C3_1 F5_1 1.332(3) . ?
C3_1 F6_1 1.343(3) . ?
C4_1 F7_1 1.323(3) . ?
C4_1 F9_1 1.332(3) . ?
C4_1 F8_1 1.339(3) . ?
O1_3 C1_3 1.362(2) . ?
C1_3 C4_3 1.549(3) . ?
C1_3 C3_3 1.552(3) . ?
C1_3 C2_3 1.554(3) . ?
C2_3 F2_3 1.329(3) . ?
C2_3 F3_3 1.330(3) . ?
C2_3 F1_3 1.331(3) . ?
C3_3 F5_3 1.331(3) . ?
C3_3 F6_3 1.331(3) . ?
C3_3 F4_3 1.332(3) . ?
C4_3 F9_3 1.324(4) . ?
C4_3 F7_3 1.329(3) . ?
C4_3 F8_3 1.336(3) . ?
O1_5 C1_5 1.351(2) . ?
C1_5 C2_5 1.549(3) . ?
C1_5 C3_5 1.553(3) . ?
C1_5 C4_5 1.556(3) . ?
C2_5 F1_5 1.321(3) . ?
C2_5 F3_5 1.333(3) . ?
C2_5 F2_5 1.345(3) . ?
C3_5 F6_5 1.325(3) . ?
C3_5 F4_5 1.329(3) . ?
C3_5 F5_5 1.347(2) . ?
C4_5 F7_5 1.324(3) . ?
C4_5 F9_5 1.326(3) . ?
C4_5 F8_5 1.327(3) . ?
O1_6 C1_6 1.357(2) . ?
C1_6 C4_6 1.546(3) . ?
C1_6 C2_6 1.556(3) . ?
C1_6 C3_6 1.558(3) . ?
C2_6 F3_6 1.326(3) . ?
C2_6 F2_6 1.332(3) . ?
C2_6 F1_6 1.336(3) . ?
C3_6 F4_6 1.324(3) . ?
C3_6 F6_6 1.328(3) . ?
C3_6 F5_6 1.350(3) . ?
C4_6 F9_6 1.322(3) . ?
C4_6 F8_6 1.333(3) . ?
C4_6 F7_6 1.338(3) . ?
F1_7 C1_7 1.360(9) . ?
F2_7 C2_7 1.351(7) . ?
F3_7 C3_7 1.329(7) . ?
F4_7 C4_7 1.361(9) . ?
C1_7 C6_7 1.353(8) . ?
C1_7 C2_7 1.369(7) . ?
C2_7 C3_7 1.390(9) . ?
C3_7 C4_7 1.369(8) . ?
C4_7 C5_7 1.359(8) . ?
C5_7 C6_7 1.398(9) . ?
C5_7 H5_7 0.9500 . ?
C6_7 H6_7 0.9500 . ?
O1_8 C1_8 1.356(3) . ?
C1_8 C3_8 1.546(4) . ?
C1_8 C2_8 1.547(4) . ?
C1_8 C4_8 1.558(4) . ?
C2_8 F3_8 1.311(3) . ?
C2_8 F2_8 1.331(4) . ?
C2_8 F1_8 1.373(4) . ?
C3_8 F4_8 1.279(4) . ?
C3_8 F6_8 1.329(3) . ?
C3_8 F5_8 1.384(5) . ?
C4_8 F9_8 1.292(4) . ?
C4_8 F8_8 1.327(3) . ?
C4_8 F7_8 1.350(4) . ?
O1_9 C1_9 1.350(14) . ?
C1_9 C2_9 1.548(12) . ?
C1_9 C4_9 1.559(12) . ?
C1_9 C3_9 1.561(12) . ?
C2_9 F3_9 1.331(12) . ?
C2_9 F2_9 1.353(13) . ?
C2_9 F1_9 1.379(12) . ?
C3_9 F4_9 1.327(13) . ?
C3_9 F6_9 1.343(13) . ?
C3_9 F5_9 1.392(12) . ?
C4_9 F9_9 1.323(12) . ?
C4_9 F8_9 1.332(13) . ?
C4_9 F7_9 1.366(12) . ?
O1_10 C1_10 1.350(3) . ?
C1_10 C2_10 1.558(3) . ?
C1_10 C4_10 1.558(3) . ?
C1_10 C3_10 1.560(3) . ?
C2_10 F3_10 1.320(3) . ?
C2_10 F1_10 1.329(3) . ?
C2_10 F2_10 1.344(3) . ?
C3_10 F4_10 1.323(3) . ?
C3_10 F5_10 1.331(3) . ?
C3_10 F6_10 1.347(3) . ?
C4_10 F9_10 1.319(3) . ?
C4_10 F7_10 1.333(3) . ?
C4_10 F8_10 1.350(3) . ?
O1_13 C1_13 1.354(14) . ?
C1_13 C4_13 1.554(13) . ?
C1_13 C2_13 1.555(13) . ?
C1_13 C3_13 1.556(13) . ?
C2_13 F3_13 1.334(13) . ?
C2_13 F1_13 1.338(13) . ?
C2_13 F2_13 1.341(13) . ?
C3_13 F4_13 1.332(13) . ?
C3_13 F5_13 1.332(13) . ?
C3_13 F6_13 1.339(13) . ?
C4_13 F9_13 1.333(13) . ?
C4_13 F7_13 1.335(13) . ?
C4_13 F8_13 1.341(13) . ?
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
O1_3 Al1 O1_1 C1_1 -9.9(3) . . . . ?
O1_10 Al1 O1_1 C1_1 124.1(3) . . . . ?
O1_13 Al1 O1_1 C1_1 127.2(15) . . . . ?
F1 Al1 O1_1 C1_1 -127.2(3) . . . . ?
Al1 O1_1 C1_1 C2_1 -145.4(3) . . . . ?
Al1 O1_1 C1_1 C4_1 -24.5(4) . . . . ?
Al1 O1_1 C1_1 C3_1 95.9(3) . . . . ?
O1_1 C1_1 C2_1 F3_1 -42.2(2) . . . . ?
C4_1 C1_1 C2_1 F3_1 -164.47(19) . . . . ?
C3_1 C1_1 C2_1 F3_1 76.4(2) . . . . ?
O1_1 C1_1 C2_1 F1_1 78.5(2) . . . . ?
C4_1 C1_1 C2_1 F1_1 -43.8(2) . . . . ?
C3_1 C1_1 C2_1 F1_1 -163.02(19) . . . . ?
O1_1 C1_1 C2_1 F2_1 -161.96(19) . . . . ?
C4_1 C1_1 C2_1 F2_1 75.7(2) . . . . ?
C3_1 C1_1 C2_1 F2_1 -43.5(3) . . . . ?
O1_1 C1_1 C3_1 F4_1 -46.9(3) . . . . ?
C2_1 C1_1 C3_1 F4_1 -164.1(2) . . . . ?
C4_1 C1_1 C3_1 F4_1 75.8(2) . . . . ?
O1_1 C1_1 C3_1 F5_1 72.7(2) . . . . ?
C2_1 C1_1 C3_1 F5_1 -44.4(2) . . . . ?
C4_1 C1_1 C3_1 F5_1 -164.58(18) . . . . ?
O1_1 C1_1 C3_1 F6_1 -167.81(18) . . . . ?
C2_1 C1_1 C3_1 F6_1 75.0(2) . . . . ?
C4_1 C1_1 C3_1 F6_1 -45.1(2) . . . . ?
O1_1 C1_1 C4_1 F7_1 78.9(2) . . . . ?
C2_1 C1_1 C4_1 F7_1 -161.84(18) . . . . ?
C3_1 C1_1 C4_1 F7_1 -42.0(2) . . . . ?
O1_1 C1_1 C4_1 F9_1 -40.6(3) . . . . ?
C2_1 C1_1 C4_1 F9_1 78.6(2) . . . . ?
C3_1 C1_1 C4_1 F9_1 -161.54(19) . . . . ?
O1_1 C1_1 C4_1 F8_1 -160.2(2) . . . . ?
C2_1 C1_1 C4_1 F8_1 -41.0(3) . . . . ?
C3_1 C1_1 C4_1 F8_1 78.9(2) . . . . ?
O1_1 Al1 O1_3 C1_3 -159.0(2) . . . . ?
O1_10 Al1 O1_3 C1_3 69.8(3) . . . . ?
O1_13 Al1 O1_3 C1_3 69.2(17) . . . . ?
F1 Al1 O1_3 C1_3 -45.4(3) . . . . ?
Al1 O1_3 C1_3 C4_3 -158.7(2) . . . . ?
Al1 O1_3 C1_3 C3_3 81.8(3) . . . . ?
Al1 O1_3 C1_3 C2_3 -38.2(3) . . . . ?
O1_3 C1_3 C2_3 F2_3 160.81(19) . . . . ?
C4_3 C1_3 C2_3 F2_3 -79.6(3) . . . . ?
C3_3 C1_3 C2_3 F2_3 41.2(3) . . . . ?
O1_3 C1_3 C2_3 F3_3 40.4(2) . . . . ?
C4_3 C1_3 C2_3 F3_3 160.1(2) . . . . ?
C3_3 C1_3 C2_3 F3_3 -79.2(2) . . . . ?
O1_3 C1_3 C2_3 F1_3 -77.5(2) . . . . ?
C4_3 C1_3 C2_3 F1_3 42.2(2) . . . . ?
C3_3 C1_3 C2_3 F1_3 162.89(18) . . . . ?
O1_3 C1_3 C3_3 F5_3 -73.8(2) . . . . ?
C4_3 C1_3 C3_3 F5_3 167.46(19) . . . . ?
C2_3 C1_3 C3_3 F5_3 46.6(2) . . . . ?
O1_3 C1_3 C3_3 F6_3 165.2(2) . . . . ?
C4_3 C1_3 C3_3 F6_3 46.5(3) . . . . ?
C2_3 C1_3 C3_3 F6_3 -74.3(3) . . . . ?
O1_3 C1_3 C3_3 F4_3 44.9(3) . . . . ?
C4_3 C1_3 C3_3 F4_3 -73.8(2) . . . . ?
C2_3 C1_3 C3_3 F4_3 165.33(19) . . . . ?
O1_3 C1_3 C4_3 F9_3 44.3(3) . . . . ?
C3_3 C1_3 C4_3 F9_3 163.2(2) . . . . ?
C2_3 C1_3 C4_3 F9_3 -76.4(2) . . . . ?
O1_3 C1_3 C4_3 F7_3 -75.2(3) . . . . ?
C3_3 C1_3 C4_3 F7_3 43.7(3) . . . . ?
C2_3 C1_3 C4_3 F7_3 164.2(2) . . . . ?
O1_3 C1_3 C4_3 F8_3 164.8(2) . . . . ?
C3_3 C1_3 C4_3 F8_3 -76.3(3) . . . . ?
C2_3 C1_3 C4_3 F8_3 44.2(3) . . . . ?
O1_9 Al2 O1_5 C1_5 135.1(13) . . . . ?
O1_8 Al2 O1_5 C1_5 140.0(3) . . . . ?
O1_6 Al2 O1_5 C1_5 7.3(3) . . . . ?
F1 Al2 O1_5 C1_5 -108.7(3) . . . . ?
Al2 O1_5 C1_5 C2_5 -92.7(3) . . . . ?
Al2 O1_5 C1_5 C3_5 28.2(4) . . . . ?
Al2 O1_5 C1_5 C4_5 148.3(3) . . . . ?
O1_5 C1_5 C2_5 F1_5 -77.5(3) . . . . ?
C3_5 C1_5 C2_5 F1_5 160.3(2) . . . . ?
C4_5 C1_5 C2_5 F1_5 41.0(3) . . . . ?
O1_5 C1_5 C2_5 F3_5 43.4(2) . . . . ?
C3_5 C1_5 C2_5 F3_5 -78.9(2) . . . . ?
C4_5 C1_5 C2_5 F3_5 161.83(19) . . . . ?
O1_5 C1_5 C2_5 F2_5 161.5(2) . . . . ?
C3_5 C1_5 C2_5 F2_5 39.3(3) . . . . ?
C4_5 C1_5 C2_5 F2_5 -80.1(3) . . . . ?
O1_5 C1_5 C3_5 F6_5 160.10(19) . . . . ?
C2_5 C1_5 C3_5 F6_5 -79.4(2) . . . . ?
C4_5 C1_5 C3_5 F6_5 40.2(2) . . . . ?
O1_5 C1_5 C3_5 F4_5 38.6(2) . . . . ?
C2_5 C1_5 C3_5 F4_5 159.08(19) . . . . ?
C4_5 C1_5 C3_5 F4_5 -81.3(2) . . . . ?
O1_5 C1_5 C3_5 F5_5 -79.4(2) . . . . ?
C2_5 C1_5 C3_5 F5_5 41.1(2) . . . . ?
C4_5 C1_5 C3_5 F5_5 160.72(18) . . . . ?
O1_5 C1_5 C4_5 F7_5 -74.9(2) . . . . ?
C2_5 C1_5 C4_5 F7_5 166.4(2) . . . . ?
C3_5 C1_5 C4_5 F7_5 46.8(3) . . . . ?
O1_5 C1_5 C4_5 F9_5 44.6(2) . . . . ?
C2_5 C1_5 C4_5 F9_5 -74.1(2) . . . . ?
C3_5 C1_5 C4_5 F9_5 166.34(18) . . . . ?
O1_5 C1_5 C4_5 F8_5 165.1(2) . . . . ?
C2_5 C1_5 C4_5 F8_5 46.4(3) . . . . ?
C3_5 C1_5 C4_5 F8_5 -73.2(2) . . . . ?
O1_9 Al2 O1_6 C1_6 71.1(12) . . . . ?
O1_5 Al2 O1_6 C1_6 -165.6(3) . . . . ?
O1_8 Al2 O1_6 C1_6 62.1(3) . . . . ?
F1 Al2 O1_6 C1_6 -51.1(3) . . . . ?
Al2 O1_6 C1_6 C4_6 94.3(3) . . . . ?
Al2 O1_6 C1_6 C2_6 -145.4(2) . . . . ?
Al2 O1_6 C1_6 C3_6 -26.3(3) . . . . ?
O1_6 C1_6 C2_6 F3_6 44.4(2) . . . . ?
C4_6 C1_6 C2_6 F3_6 164.29(18) . . . . ?
C3_6 C1_6 C2_6 F3_6 -75.9(2) . . . . ?
O1_6 C1_6 C2_6 F2_6 166.36(18) . . . . ?
C4_6 C1_6 C2_6 F2_6 -73.8(2) . . . . ?
C3_6 C1_6 C2_6 F2_6 46.0(2) . . . . ?
O1_6 C1_6 C2_6 F1_6 -73.8(2) . . . . ?
C4_6 C1_6 C2_6 F1_6 46.1(2) . . . . ?
C3_6 C1_6 C2_6 F1_6 165.92(18) . . . . ?
O1_6 C1_6 C3_6 F4_6 40.3(2) . . . . ?
C4_6 C1_6 C3_6 F4_6 -80.3(2) . . . . ?
C2_6 C1_6 C3_6 F4_6 159.49(19) . . . . ?
O1_6 C1_6 C3_6 F6_6 161.95(18) . . . . ?
C4_6 C1_6 C3_6 F6_6 41.4(2) . . . . ?
C2_6 C1_6 C3_6 F6_6 -78.9(2) . . . . ?
O1_6 C1_6 C3_6 F5_6 -77.4(2) . . . . ?
C4_6 C1_6 C3_6 F5_6 162.01(18) . . . . ?
C2_6 C1_6 C3_6 F5_6 41.8(2) . . . . ?
O1_6 C1_6 C4_6 F9_6 45.0(3) . . . . ?
C2_6 C1_6 C4_6 F9_6 -74.4(2) . . . . ?
C3_6 C1_6 C4_6 F9_6 166.31(19) . . . . ?
O1_6 C1_6 C4_6 F8_6 165.95(19) . . . . ?
C2_6 C1_6 C4_6 F8_6 46.5(3) . . . . ?
C3_6 C1_6 C4_6 F8_6 -72.8(3) . . . . ?
O1_6 C1_6 C4_6 F7_6 -73.9(2) . . . . ?
C2_6 C1_6 C4_6 F7_6 166.63(18) . . . . ?
C3_6 C1_6 C4_6 F7_6 47.3(2) . . . . ?
C6_7 C1_7 C2_7 F2_7 178.3(8) . . . . ?
F1_7 C1_7 C2_7 F2_7 1.2(12) . . . . ?
C6_7 C1_7 C2_7 C3_7 -2.0(12) . . . . ?
F1_7 C1_7 C2_7 C3_7 -179.2(8) . . . . ?
F2_7 C2_7 C3_7 F3_7 0.1(12) . . . . ?
C1_7 C2_7 C3_7 F3_7 -179.6(8) . . . . ?
F2_7 C2_7 C3_7 C4_7 -178.2(7) . . . . ?
C1_7 C2_7 C3_7 C4_7 2.2(12) . . . . ?
F3_7 C3_7 C4_7 C5_7 179.9(8) . . . . ?
C2_7 C3_7 C4_7 C5_7 -1.9(12) . . . . ?
F3_7 C3_7 C4_7 F4_7 -2.3(12) . . . . ?
C2_7 C3_7 C4_7 F4_7 175.9(8) . . . . ?
F4_7 C4_7 C5_7 C6_7 -176.3(8) . . . . ?
C3_7 C4_7 C5_7 C6_7 1.4(12) . . . . ?
F1_7 C1_7 C6_7 C5_7 178.5(8) . . . . ?
C2_7 C1_7 C6_7 C5_7 1.5(13) . . . . ?
C4_7 C5_7 C6_7 C1_7 -1.1(12) . . . . ?
O1_5 Al2 O1_8 C1_8 -42.7(7) . . . . ?
O1_6 Al2 O1_8 C1_8 88.1(6) . . . . ?
F1 Al2 O1_8 C1_8 -155.6(6) . . . . ?
Al2 O1_8 C1_8 C3_8 56.6(7) . . . . ?
Al2 O1_8 C1_8 C2_8 -65.8(7) . . . . ?
Al2 O1_8 C1_8 C4_8 175.7(6) . . . . ?
O1_8 C1_8 C2_8 F3_8 40.5(3) . . . . ?
C3_8 C1_8 C2_8 F3_8 -82.6(3) . . . . ?
C4_8 C1_8 C2_8 F3_8 158.0(3) . . . . ?
O1_8 C1_8 C2_8 F2_8 165.4(3) . . . . ?
C3_8 C1_8 C2_8 F2_8 42.3(3) . . . . ?
C4_8 C1_8 C2_8 F2_8 -77.1(3) . . . . ?
O1_8 C1_8 C2_8 F1_8 -76.7(3) . . . . ?
C3_8 C1_8 C2_8 F1_8 160.2(2) . . . . ?
C4_8 C1_8 C2_8 F1_8 40.8(3) . . . . ?
O1_8 C1_8 C3_8 F4_8 39.5(4) . . . . ?
C2_8 C1_8 C3_8 F4_8 162.2(3) . . . . ?
C4_8 C1_8 C3_8 F4_8 -78.6(4) . . . . ?
O1_8 C1_8 C3_8 F6_8 164.5(3) . . . . ?
C2_8 C1_8 C3_8 F6_8 -72.8(4) . . . . ?
C4_8 C1_8 C3_8 F6_8 46.4(4) . . . . ?
O1_8 C1_8 C3_8 F5_8 -77.7(3) . . . . ?
C2_8 C1_8 C3_8 F5_8 45.0(3) . . . . ?
C4_8 C1_8 C3_8 F5_8 164.2(3) . . . . ?
O1_8 C1_8 C4_8 F9_8 39.7(4) . . . . ?
C3_8 C1_8 C4_8 F9_8 160.2(3) . . . . ?
C2_8 C1_8 C4_8 F9_8 -79.9(3) . . . . ?
O1_8 C1_8 C4_8 F8_8 164.6(3) . . . . ?
C3_8 C1_8 C4_8 F8_8 -74.9(3) . . . . ?
C2_8 C1_8 C4_8 F8_8 45.1(4) . . . . ?
O1_8 C1_8 C4_8 F7_8 -78.0(3) . . . . ?
C3_8 C1_8 C4_8 F7_8 42.6(3) . . . . ?
C2_8 C1_8 C4_8 F7_8 162.5(2) . . . . ?
O1_5 Al2 O1_9 C1_9 -41(11) . . . . ?
O1_6 Al2 O1_9 C1_9 84(11) . . . . ?
F1 Al2 O1_9 C1_9 -154(11) . . . . ?
Al2 O1_9 C1_9 C2_9 156(10) . . . . ?
Al2 O1_9 C1_9 C4_9 35(11) . . . . ?
Al2 O1_9 C1_9 C3_9 -86(11) . . . . ?
O1_9 C1_9 C2_9 F3_9 45(2) . . . . ?
C4_9 C1_9 C2_9 F3_9 165.6(14) . . . . ?
C3_9 C1_9 C2_9 F3_9 -77.1(15) . . . . ?
O1_9 C1_9 C2_9 F2_9 158.7(19) . . . . ?
C4_9 C1_9 C2_9 F2_9 -80.9(16) . . . . ?
C3_9 C1_9 C2_9 F2_9 36.3(17) . . . . ?
O1_9 C1_9 C2_9 F1_9 -77.7(19) . . . . ?
C4_9 C1_9 C2_9 F1_9 42.7(15) . . . . ?
C3_9 C1_9 C2_9 F1_9 159.9(13) . . . . ?
O1_9 C1_9 C3_9 F4_9 44.6(19) . . . . ?
C2_9 C1_9 C3_9 F4_9 169.1(15) . . . . ?
C4_9 C1_9 C3_9 F4_9 -75.1(16) . . . . ?
O1_9 C1_9 C3_9 F6_9 153.6(18) . . . . ?
C2_9 C1_9 C3_9 F6_9 -81.9(16) . . . . ?
C4_9 C1_9 C3_9 F6_9 33.9(18) . . . . ?
O1_9 C1_9 C3_9 F5_9 -83.1(18) . . . . ?
C2_9 C1_9 C3_9 F5_9 41.4(15) . . . . ?
C4_9 C1_9 C3_9 F5_9 157.2(14) . . . . ?
O1_9 C1_9 C4_9 F9_9 48(2) . . . . ?
C2_9 C1_9 C4_9 F9_9 -77.0(15) . . . . ?
C3_9 C1_9 C4_9 F9_9 170.2(14) . . . . ?
O1_9 C1_9 C4_9 F8_9 164(2) . . . . ?
C2_9 C1_9 C4_9 F8_9 38.9(18) . . . . ?
C3_9 C1_9 C4_9 F8_9 -73.9(17) . . . . ?
O1_9 C1_9 C4_9 F7_9 -83.4(19) . . . . ?
C2_9 C1_9 C4_9 F7_9 151.6(15) . . . . ?
C3_9 C1_9 C4_9 F7_9 38.8(16) . . . . ?
O1_3 Al1 O1_10 C1_10 75.6(6) . . . . ?
O1_1 Al1 O1_10 C1_10 -54.4(6) . . . . ?
F1 Al1 O1_10 C1_10 -164.7(6) . . . . ?
Al1 O1_10 C1_10 C2_10 -149.9(5) . . . . ?
Al1 O1_10 C1_10 C4_10 -29.9(7) . . . . ?
Al1 O1_10 C1_10 C3_10 90.5(6) . . . . ?
O1_10 C1_10 C2_10 F3_10 -44.2(3) . . . . ?
C4_10 C1_10 C2_10 F3_10 -165.4(2) . . . . ?
C3_10 C1_10 C2_10 F3_10 75.4(3) . . . . ?
O1_10 C1_10 C2_10 F1_10 75.1(3) . . . . ?
C4_10 C1_10 C2_10 F1_10 -46.0(3) . . . . ?
C3_10 C1_10 C2_10 F1_10 -165.2(2) . . . . ?
O1_10 C1_10 C2_10 F2_10 -164.5(3) . . . . ?
C4_10 C1_10 C2_10 F2_10 74.4(3) . . . . ?
C3_10 C1_10 C2_10 F2_10 -44.8(3) . . . . ?
O1_10 C1_10 C3_10 F4_10 -44.3(3) . . . . ?
C2_10 C1_10 C3_10 F4_10 -162.9(2) . . . . ?
C4_10 C1_10 C3_10 F4_10 77.5(3) . . . . ?
O1_10 C1_10 C3_10 F5_10 75.3(3) . . . . ?
C2_10 C1_10 C3_10 F5_10 -43.4(3) . . . . ?
C4_10 C1_10 C3_10 F5_10 -162.9(2) . . . . ?
O1_10 C1_10 C3_10 F6_10 -164.5(3) . . . . ?
C2_10 C1_10 C3_10 F6_10 76.9(3) . . . . ?
C4_10 C1_10 C3_10 F6_10 -42.7(3) . . . . ?
O1_10 C1_10 C4_10 F9_10 -40.7(3) . . . . ?
C2_10 C1_10 C4_10 F9_10 78.6(3) . . . . ?
C3_10 C1_10 C4_10 F9_10 -161.6(2) . . . . ?
O1_10 C1_10 C4_10 F7_10 79.2(3) . . . . ?
C2_10 C1_10 C4_10 F7_10 -161.6(2) . . . . ?
C3_10 C1_10 C4_10 F7_10 -41.8(3) . . . . ?
O1_10 C1_10 C4_10 F8_10 -161.4(3) . . . . ?
C2_10 C1_10 C4_10 F8_10 -42.1(3) . . . . ?
C3_10 C1_10 C4_10 F8_10 77.6(3) . . . . ?
O1_3 Al1 O1_13 C1_13 69(7) . . . . ?
O1_1 Al1 O1_13 C1_13 -62(6) . . . . ?
F1 Al1 O1_13 C1_13 -171(6) . . . . ?
Al1 O1_13 C1_13 C4_13 -151(6) . . . . ?
Al1 O1_13 C1_13 C2_13 -31(7) . . . . ?
Al1 O1_13 C1_13 C3_13 89(6) . . . . ?
O1_13 C1_13 C2_13 F3_13 42(2) . . . . ?
C4_13 C1_13 C2_13 F3_13 162.2(16) . . . . ?
C3_13 C1_13 C2_13 F3_13 -78.4(18) . . . . ?
O1_13 C1_13 C2_13 F1_13 -77(2) . . . . ?
C4_13 C1_13 C2_13 F1_13 44.0(19) . . . . ?
C3_13 C1_13 C2_13 F1_13 163.4(16) . . . . ?
O1_13 C1_13 C2_13 F2_13 162(2) . . . . ?
C4_13 C1_13 C2_13 F2_13 -77.5(19) . . . . ?
C3_13 C1_13 C2_13 F2_13 41.9(19) . . . . ?
O1_13 C1_13 C3_13 F4_13 44(2) . . . . ?
C4_13 C1_13 C3_13 F4_13 -76.6(18) . . . . ?
C2_13 C1_13 C3_13 F4_13 164.2(17) . . . . ?
O1_13 C1_13 C3_13 F5_13 -75(2) . . . . ?
C4_13 C1_13 C3_13 F5_13 164.3(16) . . . . ?
C2_13 C1_13 C3_13 F5_13 45.1(19) . . . . ?
O1_13 C1_13 C3_13 F6_13 165(2) . . . . ?
C4_13 C1_13 C3_13 F6_13 44.9(19) . . . . ?
C2_13 C1_13 C3_13 F6_13 -74.3(19) . . . . ?
O1_13 C1_13 C4_13 F9_13 46(2) . . . . ?
C2_13 C1_13 C4_13 F9_13 -75.2(18) . . . . ?
C3_13 C1_13 C4_13 F9_13 165.8(16) . . . . ?
O1_13 C1_13 C4_13 F7_13 -75(2) . . . . ?
C2_13 C1_13 C4_13 F7_13 163.9(17) . . . . ?
C3_13 C1_13 C4_13 F7_13 44.9(19) . . . . ?
O1_13 C1_13 C4_13 F8_13 163(2) . . . . ?
C2_13 C1_13 C4_13 F8_13 41.7(19) . . . . ?
C3_13 C1_13 C4_13 F8_13 -77.3(19) . . . . ?
