#------------------------------------------------------------------------------
#$Date: 2022-05-05 23:17:28 +0300 (Thu, 05 May 2022) $
#$Revision: 274936 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/59/1565976.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_1565976
loop_
_publ_author_name
'Kikukawa, Yuji'
'Sakamoto, Yui'
'Hirasawa, Hikari'
'Kurimoto, Yushi'
'Iwai, Hiroya'
'Hayashi, Yoshihito'
_publ_section_title
;
 Synthesis and oxidation catalysis of a difluoride-incorporated
 polyoxovanadate and isolation of active vanadium alkylperoxo species
;
_journal_issue                   8
_journal_name_full               'Catalysis Science & Technology'
_journal_page_first              2438
_journal_page_last               2445
_journal_paper_doi               10.1039/D1CY02103F
_journal_volume                  12
_journal_year                    2022
_chemical_formula_sum            'C59 H126 F2 N4 O34 V12'
_chemical_formula_weight         2084.91
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-12-21 deposited with the CCDC.	2022-01-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.9450(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.7995(4)
_cell_length_b                   23.6442(5)
_cell_length_c                   20.9424(4)
_cell_measurement_reflns_used    9836
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      76.9394
_cell_measurement_theta_min      2.8196
_cell_volume                     8808.6(3)
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_collection       'Bruker Instrument Service vV6.2.6'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0642
_diffrn_reflns_av_unetI/netI     0.0574
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            71563
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         77.351
_diffrn_reflns_theta_min         2.819
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    10.872
_exptl_absorpt_correction_T_max  0.2741
_exptl_absorpt_correction_T_min  0.254
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4296
_exptl_crystal_size_max          0.173
_exptl_crystal_size_mid          0.122
_exptl_crystal_size_min          0.119
_refine_diff_density_max         1.151
_refine_diff_density_min         -0.757
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1175
_refine_ls_number_reflns         18248
_refine_ls_number_restraints     111
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0773
_refine_ls_R_factor_gt           0.0559
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0514P)²+23.8925P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1338
_refine_ls_wR_factor_ref         0.1455
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13965
_reflns_number_total             18248
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cy02103f2.cif
_cod_data_source_block           V12-acac
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 1565975--1565977.cif.
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1565976
_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   0.255
_shelx_estimated_absorpt_t_max   0.358
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
C1 C 0.3199(3) 0.5546(2) 0.4147(2) 0.0398(11) Uani 1 1 d . . . . .
H1A H 0.331555 0.576672 0.453386 0.060 Uiso 1 1 calc R U . . .
H1B H 0.298562 0.579578 0.381419 0.060 Uiso 1 1 calc R U . . .
H1C H 0.283410 0.525015 0.424328 0.060 Uiso 1 1 calc R U . . .
C2 C 0.3898(3) 0.52814(19) 0.3919(2) 0.0332(10) Uani 1 1 d . . . . .
C3 C 0.4588(3) 0.5407(2) 0.4222(2) 0.0401(11) Uani 1 1 d . . . . .
H3 H 0.459916 0.561204 0.461234 0.048 Uiso 1 1 calc R U . . .
C4 C 0.5254(3) 0.5239(2) 0.3961(2) 0.0364(10) Uani 1 1 d . . . . .
C5 C 0.5992(3) 0.5470(3) 0.4224(3) 0.0538(15) Uani 1 1 d . . . . .
H5A H 0.590025 0.570910 0.459631 0.081 Uiso 1 1 calc R U . . .
H5B H 0.632295 0.515622 0.435282 0.081 Uiso 1 1 calc R U . . .
H5C H 0.623095 0.569571 0.389536 0.081 Uiso 1 1 calc R U . . .
C101 C 0.6851(3) 0.2583(2) 0.5187(2) 0.0466(13) Uani 1 1 d . . . . .
H10A H 0.691191 0.236498 0.478831 0.056 Uiso 1 1 calc R U . . .
H10B H 0.639580 0.281970 0.512626 0.056 Uiso 1 1 calc R U . . .
C102 C 0.7524(3) 0.2972(2) 0.5277(2) 0.0402(11) Uani 1 1 d . . . . .
H10C H 0.797231 0.274903 0.541165 0.048 Uiso 1 1 calc R U . . .
H10D H 0.742595 0.325222 0.561535 0.048 Uiso 1 1 calc R U . . .
C103 C 0.7673(3) 0.3279(2) 0.4653(2) 0.0448(12) Uani 1 1 d . . . . .
H10E H 0.718911 0.341897 0.446679 0.054 Uiso 1 1 calc R U . . .
H10F H 0.799495 0.361186 0.474776 0.054 Uiso 1 1 calc R U . . .
C104 C 0.8048(4) 0.2917(3) 0.4162(3) 0.0688(19) Uani 1 1 d . . . . .
H10G H 0.812561 0.314089 0.377614 0.103 Uiso 1 1 calc R U . . .
H10H H 0.853452 0.278441 0.433685 0.103 Uiso 1 1 calc R U . . .
H10I H 0.772761 0.259127 0.405551 0.103 Uiso 1 1 calc R U . . .
C105 C 0.7373(3) 0.1775(3) 0.5824(3) 0.0583(14) Uani 1 1 d . U . . .
H10J H 0.723722 0.148574 0.614177 0.070 Uiso 1 1 calc R U . . .
H10K H 0.779907 0.199539 0.601138 0.070 Uiso 1 1 calc R U . . .
C106 C 0.7636(4) 0.1478(3) 0.5241(4) 0.0738(15) Uani 1 1 d . U . . .
H10L H 0.791823 0.174502 0.497572 0.089 Uiso 1 1 calc R U . . .
H10M H 0.719704 0.133874 0.498394 0.089 Uiso 1 1 calc R U . . .
C107 C 0.8132(5) 0.0989(4) 0.5435(4) 0.0923(18) Uani 1 1 d . U . . .
H10N H 0.848553 0.110800 0.578533 0.111 Uiso 1 1 calc R U . . .
H10O H 0.782037 0.067631 0.559545 0.111 Uiso 1 1 calc R U . . .
C108 C 0.8542(6) 0.0799(5) 0.4910(5) 0.114(2) Uani 1 1 d . U . . .
H10P H 0.886266 0.048027 0.504317 0.172 Uiso 1 1 calc R U . . .
H10Q H 0.819117 0.067644 0.456604 0.172 Uiso 1 1 calc R U . . .
H10R H 0.885521 0.110741 0.475560 0.172 Uiso 1 1 calc R U . . .
C109 C 0.6619(3) 0.2472(3) 0.6355(3) 0.0559(16) Uani 1 1 d . . . . .
H10S H 0.657334 0.218506 0.669491 0.067 Uiso 1 1 calc R U . . .
H10T H 0.708200 0.269215 0.645343 0.067 Uiso 1 1 calc R U . . .
C110 C 0.5956(4) 0.2869(3) 0.6385(3) 0.0668(19) Uani 1 1 d . . . . .
H11A H 0.600024 0.316380 0.605342 0.080 Uiso 1 1 calc R U . . .
H11B H 0.548813 0.265394 0.628975 0.080 Uiso 1 1 calc R U . . .
C111 C 0.5901(5) 0.3147(4) 0.7023(4) 0.087(2) Uani 1 1 d . . . . .
H11C H 0.636427 0.337002 0.710793 0.105 Uiso 1 1 calc R U . . .
H11D H 0.588365 0.284848 0.735362 0.105 Uiso 1 1 calc R U . . .
C112 C 0.5235(5) 0.3531(4) 0.7098(4) 0.101(3) Uani 1 1 d . . . . .
H11E H 0.525034 0.369161 0.752995 0.152 Uiso 1 1 calc R U . . .
H11F H 0.525223 0.383726 0.678375 0.152 Uiso 1 1 calc R U . . .
H11G H 0.477030 0.331429 0.703011 0.152 Uiso 1 1 calc R U . . .
C113 C 0.6011(3) 0.1846(3) 0.5533(3) 0.068(2) Uani 1 1 d . . . . .
H11H H 0.610748 0.163037 0.513874 0.081 Uiso 1 1 calc R U . . .
H11I H 0.560935 0.212335 0.542789 0.081 Uiso 1 1 calc R U . . .
C114 C 0.5724(5) 0.1438(4) 0.6029(4) 0.115(4) Uani 1 1 d . . . . .
H11J H 0.559279 0.165102 0.641643 0.138 Uiso 1 1 calc R U . . .
H11K H 0.612596 0.116530 0.615018 0.138 Uiso 1 1 calc R U . . .
C115 C 0.5032(4) 0.1116(4) 0.5772(4) 0.088(3) Uani 1 1 d . . . . .
H11L H 0.476135 0.094473 0.612871 0.106 Uiso 1 1 calc R U . . .
H11M H 0.468557 0.137684 0.553798 0.106 Uiso 1 1 calc R U . . .
C116 C 0.5289(5) 0.0680(4) 0.5347(6) 0.122(4) Uani 1 1 d . . . . .
H11N H 0.485635 0.046588 0.517449 0.184 Uiso 1 1 calc R U . . .
H11O H 0.555491 0.085391 0.499486 0.184 Uiso 1 1 calc R U . . .
H11P H 0.563039 0.042349 0.558327 0.184 Uiso 1 1 calc R U . . .
C201 C 0.7524(3) 0.3231(3) 0.0283(3) 0.0546(15) Uani 1 1 d . . . . .
H20A H 0.804587 0.309376 0.035079 0.066 Uiso 1 1 calc R U . . .
H20B H 0.739822 0.320533 -0.017978 0.066 Uiso 1 1 calc R U . . .
C202 C 0.7500(5) 0.3839(3) 0.0473(3) 0.078(2) Uani 1 1 d . . . . .
H20C H 0.769083 0.388134 0.092047 0.093 Uiso 1 1 calc R U . . .
H20D H 0.697445 0.397669 0.044766 0.093 Uiso 1 1 calc R U . . .
C203 C 0.7974(4) 0.4186(4) 0.0038(5) 0.095(3) Uani 1 1 d . . . . .
H20E H 0.848779 0.402501 0.004603 0.114 Uiso 1 1 calc R U . . .
H20F H 0.776427 0.414961 -0.040364 0.114 Uiso 1 1 calc R U . . .
C204 C 0.8026(6) 0.4772(5) 0.0193(5) 0.123(4) Uani 1 1 d . . . . .
H20G H 0.834369 0.496269 -0.011328 0.185 Uiso 1 1 calc R U . . .
H20H H 0.752281 0.493994 0.017460 0.185 Uiso 1 1 calc R U . . .
H20I H 0.824793 0.481506 0.062526 0.185 Uiso 1 1 calc R U . . .
C205 C 0.6183(3) 0.2987(3) 0.0507(3) 0.0628(18) Uani 1 1 d . . . . .
H20J H 0.587121 0.270531 0.072675 0.075 Uiso 1 1 calc R U . . .
H20K H 0.608765 0.335963 0.070373 0.075 Uiso 1 1 calc R U . . .
C206 C 0.5920(3) 0.3012(3) -0.0189(4) 0.075(2) Uani 1 1 d . . . . .
H20L H 0.631602 0.285999 -0.046203 0.089 Uiso 0.603(15) 1 calc R U P A 1
H20M H 0.546331 0.277745 -0.025541 0.089 Uiso 0.603(15) 1 calc R U P A 1
H25L H 0.598038 0.262188 -0.035131 0.089 Uiso 0.397(15) 1 calc R U P A 2
H25M H 0.630260 0.324236 -0.040200 0.089 Uiso 0.397(15) 1 calc R U P A 2
C207 C 0.5760(7) 0.3580(5) -0.0361(5) 0.057(3) Uani 0.603(15) 1 d . . P A 1
H20N H 0.622923 0.380418 -0.037581 0.069 Uiso 0.603(15) 1 calc R U P A 1
H20O H 0.542609 0.375692 -0.004894 0.069 Uiso 0.603(15) 1 calc R U P A 1
C208 C 0.5366(8) 0.3549(6) -0.1030(7) 0.070(4) Uani 0.603(15) 1 d . . P A 1
H20P H 0.523964 0.393228 -0.117669 0.104 Uiso 0.603(15) 1 calc R U P A 1
H20Q H 0.570377 0.337169 -0.133039 0.104 Uiso 0.603(15) 1 calc R U P A 1
H20R H 0.490530 0.332470 -0.100542 0.104 Uiso 0.603(15) 1 calc R U P A 1
C257 C 0.5163(10) 0.3214(10) -0.0476(7) 0.073(7) Uani 0.397(15) 1 d . . P A 2
H25N H 0.478570 0.294734 -0.031387 0.088 Uiso 0.397(15) 1 calc R U P A 2
H25O H 0.506550 0.358089 -0.026575 0.088 Uiso 0.397(15) 1 calc R U P A 2
C258 C 0.4939(17) 0.3305(14) -0.1176(10) 0.120(13) Uani 0.397(15) 1 d . . P A 2
H25P H 0.441718 0.343617 -0.121095 0.180 Uiso 0.397(15) 1 calc R U P A 2
H25Q H 0.526964 0.358875 -0.135935 0.180 Uiso 0.397(15) 1 calc R U P A 2
H25R H 0.498637 0.294735 -0.140807 0.180 Uiso 0.397(15) 1 calc R U P A 2
C209 C 0.7174(3) 0.2251(2) 0.0397(3) 0.0505(14) Uani 1 1 d . . . . .
H20S H 0.771972 0.218087 0.046519 0.061 Uiso 1 1 calc R U . . .
H20T H 0.706397 0.223951 -0.006939 0.061 Uiso 1 1 calc R U . . .
C210 C 0.6752(4) 0.1774(3) 0.0703(3) 0.0580(16) Uani 1 1 d . . . . .
H21A H 0.620639 0.182001 0.061228 0.070 Uiso 1 1 calc R U . . .
H21B H 0.684184 0.178492 0.117187 0.070 Uiso 1 1 calc R U . . .
C211 C 0.7008(3) 0.1209(3) 0.0447(3) 0.0590(16) Uani 1 1 d . . . . .
H21C H 0.691317 0.120317 -0.002152 0.071 Uiso 1 1 calc R U . . .
H21D H 0.755752 0.117433 0.052752 0.071 Uiso 1 1 calc R U . . .
C212 C 0.6635(4) 0.0712(3) 0.0729(4) 0.0693(18) Uani 1 1 d . . . . .
H21E H 0.683002 0.036464 0.053944 0.104 Uiso 1 1 calc R U . . .
H21F H 0.673691 0.070643 0.119156 0.104 Uiso 1 1 calc R U . . .
H21G H 0.609150 0.073532 0.064161 0.104 Uiso 1 1 calc R U . . .
C213 C 0.7152(4) 0.2876(3) 0.1354(3) 0.075(2) Uani 1 1 d D U . . .
H21H H 0.679205 0.262906 0.157247 0.089 Uiso 0.716(11) 1 calc R U P B 3
H21I H 0.706612 0.326931 0.149501 0.089 Uiso 0.716(11) 1 calc R U P B 3
H26H H 0.701707 0.326708 0.147248 0.089 Uiso 0.284(11) 1 calc R U P B 4
H26I H 0.677300 0.262760 0.154625 0.089 Uiso 0.284(11) 1 calc R U P B 4
C214 C 0.7996(7) 0.2690(8) 0.1562(5) 0.088(3) Uani 0.716(11) 1 d D U P B 3
H21J H 0.804500 0.227370 0.154117 0.106 Uiso 0.716(11) 1 calc R U P B 3
H21K H 0.835738 0.285939 0.126765 0.106 Uiso 0.716(11) 1 calc R U P B 3
C215 C 0.8171(7) 0.2898(6) 0.2254(5) 0.110(4) Uani 0.716(11) 1 d D U P B 3
H21L H 0.794064 0.327479 0.231184 0.132 Uiso 0.716(11) 1 calc R U P B 3
H21M H 0.794002 0.263416 0.255842 0.132 Uiso 0.716(11) 1 calc R U P B 3
C216 C 0.8985(7) 0.2935(9) 0.2404(7) 0.136(5) Uani 0.716(11) 1 d D U P B 3
H21N H 0.906772 0.306764 0.284442 0.203 Uiso 0.716(11) 1 calc R U P B 3
H21O H 0.921452 0.256151 0.235687 0.203 Uiso 0.716(11) 1 calc R U P B 3
H21P H 0.921513 0.320214 0.211030 0.203 Uiso 0.716(11) 1 calc R U P B 3
C264 C 0.775(2) 0.2773(17) 0.1653(17) 0.083(5) Uani 0.284(11) 1 d . U P B 4
H26J H 0.806817 0.253985 0.137356 0.099 Uiso 0.284(11) 1 calc R U P B 4
H26K H 0.763670 0.253857 0.202755 0.099 Uiso 0.284(11) 1 calc R U P B 4
C265 C 0.8252(19) 0.3293(13) 0.1900(10) 0.087(6) Uani 0.284(11) 1 d . U P B 4
H26L H 0.860933 0.332333 0.155019 0.104 Uiso 0.284(11) 1 calc R U P B 4
H26M H 0.789420 0.360797 0.182070 0.104 Uiso 0.284(11) 1 calc R U P B 4
C266 C 0.8551(19) 0.3447(13) 0.2247(14) 0.086(7) Uani 0.284(11) 1 d . U P B 4
H26N H 0.874135 0.381987 0.212586 0.129 Uiso 0.284(11) 1 calc R U P B 4
H26O H 0.824313 0.348597 0.262405 0.129 Uiso 0.284(11) 1 calc R U P B 4
H26P H 0.897533 0.319454 0.234709 0.129 Uiso 0.284(11) 1 calc R U P B 4
C301 C 0.1435(5) 0.5279(4) 0.2747(5) 0.052(2) Uani 0.609(6) 1 d D U P C 5
H30A H 0.184334 0.534415 0.307102 0.062 Uiso 0.609(6) 1 calc R U P C 5
H30B H 0.120483 0.565007 0.264004 0.062 Uiso 0.609(6) 1 calc R U P C 5
C302 C 0.1772(7) 0.5028(5) 0.2142(6) 0.074(3) Uani 0.609(6) 1 d D U P C 5
H30C H 0.145045 0.516115 0.177765 0.089 Uiso 0.609(6) 1 calc R U P C 5
H30D H 0.169715 0.461363 0.216816 0.089 Uiso 0.609(6) 1 calc R U P C 5
C303 C 0.2642(8) 0.5122(6) 0.1935(8) 0.103(4) Uani 0.609(6) 1 d D U P C 5
H30E H 0.294387 0.481472 0.213682 0.124 Uiso 0.609(6) 1 calc R U P C 5
H30F H 0.265200 0.506062 0.146740 0.124 Uiso 0.609(6) 1 calc R U P C 5
C304 C 0.3011(11) 0.5610(7) 0.2059(9) 0.127(5) Uani 0.609(6) 1 d D U P C 5
H30G H 0.352089 0.558483 0.189951 0.190 Uiso 0.609(6) 1 calc R U P C 5
H30H H 0.274268 0.592334 0.184703 0.190 Uiso 0.609(6) 1 calc R U P C 5
H30I H 0.303669 0.567563 0.252136 0.190 Uiso 0.609(6) 1 calc R U P C 5
C305 C 0.0188(5) 0.4782(4) 0.2611(4) 0.049(2) Uani 0.609(6) 1 d . . P C 5
H30J H -0.016656 0.457566 0.288040 0.059 Uiso 0.609(6) 1 calc R U P C 5
H30K H 0.033725 0.452017 0.226848 0.059 Uiso 0.609(6) 1 calc R U P C 5
C306 C -0.0230(6) 0.5273(4) 0.2301(5) 0.055(3) Uani 0.609(6) 1 d . . P C 5
H30L H -0.034917 0.554974 0.263722 0.066 Uiso 0.609(6) 1 calc R U P C 5
H30M H 0.010955 0.546240 0.200267 0.066 Uiso 0.609(6) 1 calc R U P C 5
C307 C -0.0940(12) 0.5122(9) 0.1943(12) 0.087(8) Uani 0.609(6) 1 d . . P C 5
H30N H -0.081296 0.484127 0.161335 0.104 Uiso 0.609(6) 1 calc R U P C 5
H30O H -0.127050 0.492953 0.224562 0.104 Uiso 0.609(6) 1 calc R U P C 5
C308 C -0.1371(7) 0.5559(5) 0.1634(7) 0.081(4) Uani 0.609(6) 1 d . . P C 5
H30P H -0.181820 0.539425 0.142126 0.122 Uiso 0.609(6) 1 calc R U P C 5
H30Q H -0.152528 0.583607 0.195240 0.122 Uiso 0.609(6) 1 calc R U P C 5
H30R H -0.106523 0.574733 0.131668 0.122 Uiso 0.609(6) 1 calc R U P C 5
C309 C 0.0536(4) 0.5263(4) 0.3620(4) 0.0348(19) Uani 0.609(6) 1 d . . P C 5
H30S H 0.030447 0.561800 0.345773 0.042 Uiso 0.609(6) 1 calc R U P C 5
H30T H 0.013164 0.503186 0.380151 0.042 Uiso 0.609(6) 1 calc R U P C 5
C310 C 0.1101(5) 0.5409(4) 0.4152(5) 0.044(2) Uani 0.609(6) 1 d . . P C 5
H31A H 0.147459 0.568174 0.399434 0.053 Uiso 0.609(6) 1 calc R U P C 5
H31B H 0.137133 0.506402 0.429655 0.053 Uiso 0.609(6) 1 calc R U P C 5
C311 C 0.0688(8) 0.5668(6) 0.4706(7) 0.044(3) Uani 0.609(6) 1 d . . P C 5
H31C H 0.101340 0.565507 0.509880 0.052 Uiso 0.609(6) 1 calc R U P C 5
H31D H 0.022807 0.544604 0.478414 0.052 Uiso 0.609(6) 1 calc R U P C 5
C312 C 0.0473(9) 0.6282(6) 0.4556(6) 0.046(3) Uani 0.609(6) 1 d . . P C 5
H31E H 0.020788 0.644349 0.491596 0.069 Uiso 0.609(6) 1 calc R U P C 5
H31F H 0.092905 0.650271 0.448487 0.069 Uiso 0.609(6) 1 calc R U P C 5
H31G H 0.014508 0.629404 0.417076 0.069 Uiso 0.609(6) 1 calc R U P C 5
C313 C 0.1201(5) 0.4381(4) 0.3293(5) 0.048(2) Uani 0.609(6) 1 d . . P C 5
H31H H 0.168391 0.447876 0.351463 0.057 Uiso 0.609(6) 1 calc R U P C 5
H31I H 0.132097 0.412979 0.293221 0.057 Uiso 0.609(6) 1 calc R U P C 5
C314 C 0.0741(6) 0.4035(4) 0.3760(5) 0.046(3) Uani 0.609(6) 1 d . . P C 5
H31J H 0.081761 0.419005 0.419617 0.055 Uiso 0.609(6) 1 calc R U P C 5
H31K H 0.020022 0.406816 0.363925 0.055 Uiso 0.609(6) 1 calc R U P C 5
C315 C 0.0962(5) 0.3421(3) 0.3760(4) 0.086(2) Uani 1 1 d . . . . .
H31L H 0.150989 0.340337 0.385790 0.103 Uiso 0.609(6) 1 calc R U P C 5
H31M H 0.071178 0.323831 0.412161 0.103 Uiso 0.609(6) 1 calc R U P C 5
H36L H 0.140448 0.326766 0.400219 0.103 Uiso 0.391(6) 1 calc R U P C 6
H36M H 0.052591 0.340221 0.404044 0.103 Uiso 0.391(6) 1 calc R U P C 6
C316 C 0.0816(5) 0.3081(3) 0.3213(4) 0.088(2) Uani 1 1 d . . . . .
H31O H 0.072385 0.269069 0.334588 0.131 Uiso 1 1 calc R U . . .
H31P H 0.037222 0.322657 0.297700 0.131 Uiso 1 1 calc R U . . .
H31Q H 0.125069 0.309204 0.293876 0.131 Uiso 1 1 calc R U . . .
C351 C 0.1643(7) 0.4802(5) 0.2572(7) 0.043(3) Uani 0.391(6) 1 d D U P C 6
H35A H 0.201389 0.458335 0.283399 0.052 Uiso 0.391(6) 1 calc R U P C 6
H35B H 0.148991 0.456515 0.220016 0.052 Uiso 0.391(6) 1 calc R U P C 6
C352 C 0.2015(9) 0.5318(7) 0.2336(7) 0.053(3) Uani 0.391(6) 1 d D U P C 6
H35C H 0.167659 0.563608 0.243448 0.064 Uiso 0.391(6) 1 calc R U P C 6
H35D H 0.247220 0.536912 0.261273 0.064 Uiso 0.391(6) 1 calc R U P C 6
C353 C 0.2239(9) 0.5410(8) 0.1717(8) 0.071(4) Uani 0.391(6) 1 d D U P C 6
H35E H 0.202069 0.577582 0.157585 0.085 Uiso 0.391(6) 1 calc R U P C 6
H35F H 0.199748 0.511367 0.144570 0.085 Uiso 0.391(6) 1 calc R U P C 6
C354 C 0.3075(9) 0.5421(11) 0.1560(11) 0.090(5) Uani 0.391(6) 1 d D U P C 6
H35G H 0.312456 0.549031 0.110171 0.135 Uiso 0.391(6) 1 calc R U P C 6
H35H H 0.332847 0.572301 0.180395 0.135 Uiso 0.391(6) 1 calc R U P C 6
H35I H 0.330510 0.505632 0.167291 0.135 Uiso 0.391(6) 1 calc R U P C 6
C355 C 0.0321(7) 0.5208(6) 0.2542(7) 0.041(3) Uani 0.391(6) 1 d . . P C 6
H35J H -0.016012 0.525025 0.276179 0.050 Uiso 0.391(6) 1 calc R U P C 6
H35K H 0.051294 0.559425 0.246741 0.050 Uiso 0.391(6) 1 calc R U P C 6
C356 C 0.0141(8) 0.4954(6) 0.1905(7) 0.049(4) Uani 0.391(6) 1 d . . P C 6
H35L H 0.004172 0.454421 0.195117 0.059 Uiso 0.391(6) 1 calc R U P C 6
H35M H 0.057323 0.500107 0.162390 0.059 Uiso 0.391(6) 1 calc R U P C 6
C357 C -0.0561(8) 0.5252(7) 0.1605(8) 0.045(4) Uani 0.391(6) 1 d . . P C 6
H35N H -0.049773 0.566690 0.164032 0.054 Uiso 0.391(6) 1 calc R U P C 6
H35O H -0.061048 0.515482 0.114550 0.054 Uiso 0.391(6) 1 calc R U P C 6
C358 C -0.1258(17) 0.5079(18) 0.1930(13) 0.082(11) Uani 0.391(6) 1 d . . P C 6
H35P H -0.169213 0.527373 0.173051 0.122 Uiso 0.391(6) 1 calc R U P C 6
H35Q H -0.132624 0.466935 0.188850 0.122 Uiso 0.391(6) 1 calc R U P C 6
H35R H -0.121360 0.518093 0.238285 0.122 Uiso 0.391(6) 1 calc R U P C 6
C359 C 0.1163(8) 0.5257(6) 0.3518(7) 0.048(4) Uani 0.391(6) 1 d . . P C 6
H35S H 0.137969 0.560825 0.334390 0.057 Uiso 0.391(6) 1 calc R U P C 6
H35T H 0.156722 0.505096 0.375594 0.057 Uiso 0.391(6) 1 calc R U P C 6
C360 C 0.0539(10) 0.5404(10) 0.3963(9) 0.067(6) Uani 0.391(6) 1 d . . P C 6
H36A H 0.033417 0.505498 0.415306 0.080 Uiso 0.391(6) 1 calc R U P C 6
H36B H 0.012609 0.560048 0.372520 0.080 Uiso 0.391(6) 1 calc R U P C 6
C361 C 0.0886(16) 0.5805(15) 0.4511(12) 0.082(9) Uani 0.391(6) 1 d . . P C 6
H36C H 0.116256 0.556753 0.482975 0.098 Uiso 0.391(6) 1 calc R U P C 6
H36D H 0.125439 0.606238 0.431908 0.098 Uiso 0.391(6) 1 calc R U P C 6
C362 C 0.0368(18) 0.6125(18) 0.4823(18) 0.130(15) Uani 0.391(6) 1 d . . P C 6
H36E H 0.062660 0.635757 0.514929 0.195 Uiso 0.391(6) 1 calc R U P C 6
H36F H 0.010006 0.637080 0.451469 0.195 Uiso 0.391(6) 1 calc R U P C 6
H36G H 0.000805 0.587500 0.502633 0.195 Uiso 0.391(6) 1 calc R U P C 6
C363 C 0.0637(8) 0.4319(6) 0.3127(8) 0.050(4) Uani 0.391(6) 1 d . . P C 6
H36H H 0.011268 0.432246 0.327133 0.060 Uiso 0.391(6) 1 calc R U P C 6
H36I H 0.063886 0.411387 0.271553 0.060 Uiso 0.391(6) 1 calc R U P C 6
C364 C 0.1104(10) 0.4005(7) 0.3598(9) 0.048(4) Uani 0.391(6) 1 d . . P C 6
H36J H 0.162585 0.402258 0.345070 0.057 Uiso 0.391(6) 1 calc R U P C 6
H36K H 0.109532 0.422203 0.400157 0.057 Uiso 0.391(6) 1 calc R U P C 6
C401 C 0.7154(9) 0.6468(5) 0.2074(6) 0.193(7) Uani 1 1 d . . . . .
H40A H 0.699337 0.651092 0.162415 0.289 Uiso 1 1 calc R U . . .
H40B H 0.694321 0.677637 0.232434 0.289 Uiso 1 1 calc R U . . .
H40C H 0.770427 0.648128 0.211174 0.289 Uiso 1 1 calc R U . . .
C402 C 0.6891(7) 0.5931(6) 0.2312(6) 0.126(4) Uani 1 1 d . . . . .
C403 C 0.6309(8) 0.4994(6) 0.1969(5) 0.174(7) Uani 1 1 d . . . . .
H40D H 0.598659 0.499200 0.234451 0.209 Uiso 1 1 calc R U . . .
H40E H 0.676784 0.477368 0.207937 0.209 Uiso 1 1 calc R U . . .
C404 C 0.5883(9) 0.4707(5) 0.1399(6) 0.171(7) Uani 1 1 d . . . . .
H40F H 0.575256 0.431830 0.151602 0.257 Uiso 1 1 calc R U . . .
H40G H 0.542233 0.491890 0.129331 0.257 Uiso 1 1 calc R U . . .
H40H H 0.620360 0.470058 0.102816 0.257 Uiso 1 1 calc R U . . .
C501 C 0.8168(4) 0.4399(3) 0.3523(3) 0.0609(16) Uani 1 1 d . . . . .
C502 C 0.7372(3) 0.4496(3) 0.3507(4) 0.0633(18) Uani 1 1 d . . . . .
H50A H 0.711508 0.417514 0.329896 0.095 Uiso 1 1 calc R U . . .
H50B H 0.725790 0.484263 0.326687 0.095 Uiso 1 1 calc R U . . .
H50C H 0.720051 0.453532 0.394432 0.095 Uiso 1 1 calc R U . . .
N101 N 0.6717(3) 0.2166(2) 0.5726(2) 0.0506(12) Uani 1 1 d . . . . .
N201 N 0.7003(3) 0.2837(2) 0.0634(2) 0.0497(11) Uani 1 1 d . . . . .
N301 N 0.0876(2) 0.49190(17) 0.3014(2) 0.0451(10) Uani 1 1 d . . . . .
N501 N 0.8786(4) 0.4315(3) 0.3536(4) 0.106(3) Uani 1 1 d . . . . .
O1 O 0.45531(19) 0.45542(14) 0.23713(15) 0.0395(8) Uani 1 1 d . . . . .
O1A O 0.38330(18) 0.49775(13) 0.34130(15) 0.0353(7) Uani 1 1 d . . . . .
O1B O 0.52937(18) 0.49198(14) 0.34739(15) 0.0384(8) Uani 1 1 d . . . . .
O2 O 0.29326(17) 0.41408(15) 0.42045(15) 0.0376(8) Uani 1 1 d . . . . .
O3 O 0.4268(2) 0.23615(18) 0.53270(15) 0.0526(10) Uani 1 1 d . . . . .
O4 O 0.59555(17) 0.40083(16) 0.43988(15) 0.0432(9) Uani 1 1 d . . . . .
O5 O 0.44523(16) 0.40547(14) 0.41840(14) 0.0348(7) Uani 1 1 d . . . . .
O6 O 0.36098(17) 0.32210(15) 0.46957(13) 0.0376(8) Uani 1 1 d . . . . .
O7 O 0.51202(18) 0.31541(16) 0.47924(14) 0.0407(8) Uani 1 1 d . . . . .
O8 O 0.37008(15) 0.39160(12) 0.31097(13) 0.0255(6) Uani 1 1 d . . . . .
O9 O 0.29387(15) 0.31296(13) 0.35277(13) 0.0271(6) Uani 1 1 d . . . . .
O10 O 0.36203(18) 0.21962(14) 0.41221(13) 0.0351(7) Uani 1 1 d . . . . .
O11 O 0.50232(19) 0.21477(15) 0.42042(14) 0.0399(8) Uani 1 1 d . . . . .
O12 O 0.58791(16) 0.30147(14) 0.37068(14) 0.0346(7) Uani 1 1 d . . . . .
O13 O 0.52550(16) 0.38510(13) 0.32007(14) 0.0306(7) Uani 1 1 d . . . . .
O14 O 0.23854(16) 0.36600(13) 0.23634(15) 0.0315(7) Uani 1 1 d . . . . .
O15 O 0.21830(18) 0.21131(15) 0.35877(15) 0.0391(8) Uani 1 1 d . . . . .
O16 O 0.4275(2) 0.10892(16) 0.40103(18) 0.0555(10) Uani 1 1 d . . . . .
O17 O 0.6486(2) 0.19436(17) 0.38379(17) 0.0506(10) Uani 1 1 d . . . . .
O18 O 0.65935(17) 0.35211(16) 0.26264(17) 0.0449(9) Uani 1 1 d . . . . .
O19 O 0.37257(15) 0.33925(12) 0.19593(12) 0.0234(6) Uani 1 1 d . . . . .
O20 O 0.29549(14) 0.25640(11) 0.25431(12) 0.0212(5) Uani 1 1 d . . . . .
O21 O 0.35592(17) 0.17423(12) 0.30810(13) 0.0282(6) Uani 1 1 d . . . . .
O22 O 0.51245(17) 0.16893(13) 0.31705(14) 0.0328(7) Uani 1 1 d . . . . .
O23 O 0.58927(16) 0.24604(14) 0.27151(14) 0.0307(7) Uani 1 1 d . . . . .
O24 O 0.52849(16) 0.33363(12) 0.20442(13) 0.0282(6) Uani 1 1 d . . . . .
O25 O 0.45335(18) 0.31838(14) 0.08963(14) 0.0362(7) Uani 1 1 d . . . . .
O26 O 0.28885(16) 0.15398(12) 0.18763(14) 0.0299(6) Uani 1 1 d . . . . .
O27 O 0.58865(18) 0.14342(15) 0.20633(16) 0.0407(8) Uani 1 1 d . . . . .
O28 O 0.37206(15) 0.23935(12) 0.14672(12) 0.0230(6) Uani 1 1 d . . . . .
O29 O 0.43849(16) 0.15206(12) 0.20609(13) 0.0285(6) Uani 1 1 d . . . . .
O30 O 0.52024(16) 0.23351(13) 0.15467(13) 0.0282(6) Uani 1 1 d . . . . .
O401 O 0.6978(4) 0.5739(4) 0.2826(4) 0.136(3) Uani 1 1 d . . . . .
O402 O 0.6528(4) 0.5593(4) 0.1824(4) 0.145(3) Uani 1 1 d . . . . .
V1 V 0.45201(4) 0.44002(3) 0.31028(4) 0.03028(17) Uani 1 1 d . . . . .
V2 V 0.35440(4) 0.36876(3) 0.40080(3) 0.02795(17) Uani 1 1 d . . . . .
V3 V 0.43277(5) 0.26776(4) 0.46527(3) 0.03612(19) Uani 1 1 d . . . . .
V4 V 0.53068(4) 0.36110(4) 0.41162(3) 0.03027(17) Uani 1 1 d . . . . .
V5 V 0.31575(4) 0.33651(3) 0.25956(3) 0.02100(14) Uani 1 1 d . . . . .
V6 V 0.29805(4) 0.23673(3) 0.34207(3) 0.02589(16) Uani 1 1 d . . . . .
V7 V 0.43212(5) 0.16985(4) 0.36947(4) 0.03592(19) Uani 1 1 d . . . . .
V8 V 0.57493(4) 0.22643(4) 0.35799(4) 0.03384(18) Uani 1 1 d . . . . .
V9 V 0.57765(4) 0.32706(3) 0.27504(3) 0.02845(17) Uani 1 1 d . . . . .
V10 V 0.44873(4) 0.29099(3) 0.15849(3) 0.02263(15) Uani 1 1 d . . . . .
V11 V 0.35464(4) 0.19469(3) 0.21410(3) 0.02227(15) Uani 1 1 d . . . . .
V12 V 0.52702(4) 0.18921(3) 0.22361(3) 0.02615(16) Uani 1 1 d . . . . .
F1 F 0.44045(13) 0.30645(11) 0.37170(10) 0.0296(5) Uani 1 1 d . . . . .
F2 F 0.44300(12) 0.25245(9) 0.25397(10) 0.0221(5) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.0687 2.1097 '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
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1A C2 C3 123.3(4) . . ?
O1A C2 C1 116.6(4) . . ?
C3 C2 C1 119.8(4) . . ?
C4 C3 C2 120.9(4) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
O1B C4 C3 124.0(4) . . ?
O1B C4 C5 115.9(4) . . ?
C3 C4 C5 119.9(4) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C102 C101 N101 116.3(4) . . ?
C102 C101 H10A 108.2 . . ?
N101 C101 H10A 108.2 . . ?
C102 C101 H10B 108.2 . . ?
N101 C101 H10B 108.2 . . ?
H10A C101 H10B 107.4 . . ?
C101 C102 C103 110.0(4) . . ?
C101 C102 H10C 109.7 . . ?
C103 C102 H10C 109.7 . . ?
C101 C102 H10D 109.7 . . ?
C103 C102 H10D 109.7 . . ?
H10C C102 H10D 108.2 . . ?
C104 C103 C102 114.0(5) . . ?
C104 C103 H10E 108.7 . . ?
C102 C103 H10E 108.7 . . ?
C104 C103 H10F 108.7 . . ?
C102 C103 H10F 108.7 . . ?
H10E C103 H10F 107.6 . . ?
C103 C104 H10G 109.5 . . ?
C103 C104 H10H 109.5 . . ?
H10G C104 H10H 109.5 . . ?
C103 C104 H10I 109.5 . . ?
H10G C104 H10I 109.5 . . ?
H10H C104 H10I 109.5 . . ?
N101 C105 C106 116.2(5) . . ?
N101 C105 H10J 108.2 . . ?
C106 C105 H10J 108.2 . . ?
N101 C105 H10K 108.2 . . ?
C106 C105 H10K 108.2 . . ?
H10J C105 H10K 107.4 . . ?
C105 C106 C107 109.7(6) . . ?
C105 C106 H10L 109.7 . . ?
C107 C106 H10L 109.7 . . ?
C105 C106 H10M 109.7 . . ?
C107 C106 H10M 109.7 . . ?
H10L C106 H10M 108.2 . . ?
C108 C107 C106 110.4(8) . . ?
C108 C107 H10N 109.6 . . ?
C106 C107 H10N 109.6 . . ?
C108 C107 H10O 109.6 . . ?
C106 C107 H10O 109.6 . . ?
H10N C107 H10O 108.1 . . ?
C107 C108 H10P 109.5 . . ?
C107 C108 H10Q 109.5 . . ?
H10P C108 H10Q 109.5 . . ?
C107 C108 H10R 109.5 . . ?
H10P C108 H10R 109.5 . . ?
H10Q C108 H10R 109.5 . . ?
C110 C109 N101 116.5(4) . . ?
C110 C109 H10S 108.2 . . ?
N101 C109 H10S 108.2 . . ?
C110 C109 H10T 108.2 . . ?
N101 C109 H10T 108.2 . . ?
H10S C109 H10T 107.3 . . ?
C111 C110 C109 112.7(5) . . ?
C111 C110 H11A 109.0 . . ?
C109 C110 H11A 109.0 . . ?
C111 C110 H11B 109.0 . . ?
C109 C110 H11B 109.0 . . ?
H11A C110 H11B 107.8 . . ?
C110 C111 C112 115.8(7) . . ?
C110 C111 H11C 108.3 . . ?
C112 C111 H11C 108.3 . . ?
C110 C111 H11D 108.3 . . ?
C112 C111 H11D 108.3 . . ?
H11C C111 H11D 107.4 . . ?
C111 C112 H11E 109.5 . . ?
C111 C112 H11F 109.5 . . ?
H11E C112 H11F 109.5 . . ?
C111 C112 H11G 109.5 . . ?
H11E C112 H11G 109.5 . . ?
H11F C112 H11G 109.5 . . ?
N101 C113 C114 115.6(4) . . ?
N101 C113 H11H 108.4 . . ?
C114 C113 H11H 108.4 . . ?
N101 C113 H11I 108.4 . . ?
C114 C113 H11I 108.4 . . ?
H11H C113 H11I 107.4 . . ?
C113 C114 C115 111.2(6) . . ?
C113 C114 H11J 109.4 . . ?
C115 C114 H11J 109.4 . . ?
C113 C114 H11K 109.4 . . ?
C115 C114 H11K 109.4 . . ?
H11J C114 H11K 108.0 . . ?
C116 C115 C114 107.7(8) . . ?
C116 C115 H11L 110.2 . . ?
C114 C115 H11L 110.2 . . ?
C116 C115 H11M 110.2 . . ?
C114 C115 H11M 110.2 . . ?
H11L C115 H11M 108.5 . . ?
C115 C116 H11N 109.5 . . ?
C115 C116 H11O 109.5 . . ?
H11N C116 H11O 109.5 . . ?
C115 C116 H11P 109.5 . . ?
H11N C116 H11P 109.5 . . ?
H11O C116 H11P 109.5 . . ?
C202 C201 N201 116.0(5) . . ?
C202 C201 H20A 108.3 . . ?
N201 C201 H20A 108.3 . . ?
C202 C201 H20B 108.3 . . ?
N201 C201 H20B 108.3 . . ?
H20A C201 H20B 107.4 . . ?
C201 C202 C203 110.0(6) . . ?
C201 C202 H20C 109.7 . . ?
C203 C202 H20C 109.7 . . ?
C201 C202 H20D 109.7 . . ?
C203 C202 H20D 109.7 . . ?
H20C C202 H20D 108.2 . . ?
C204 C203 C202 115.1(9) . . ?
C204 C203 H20E 108.5 . . ?
C202 C203 H20E 108.5 . . ?
C204 C203 H20F 108.5 . . ?
C202 C203 H20F 108.5 . . ?
H20E C203 H20F 107.5 . . ?
C203 C204 H20G 109.5 . . ?
C203 C204 H20H 109.5 . . ?
H20G C204 H20H 109.5 . . ?
C203 C204 H20I 109.5 . . ?
H20G C204 H20I 109.5 . . ?
H20H C204 H20I 109.5 . . ?
C206 C205 N201 116.2(5) . . ?
C206 C205 H20J 108.2 . . ?
N201 C205 H20J 108.2 . . ?
C206 C205 H20K 108.2 . . ?
N201 C205 H20K 108.2 . . ?
H20J C205 H20K 107.4 . . ?
C207 C206 C205 109.5(7) . . ?
C205 C206 C257 128.9(7) . . ?
C207 C206 H20L 109.8 . . ?
C205 C206 H20L 109.8 . . ?
C207 C206 H20M 109.8 . . ?
C205 C206 H20M 109.8 . . ?
H20L C206 H20M 108.2 . . ?
C205 C206 H25L 105.1 . . ?
C257 C206 H25L 105.1 . . ?
C205 C206 H25M 105.1 . . ?
C257 C206 H25M 105.1 . . ?
H25L C206 H25M 105.9 . . ?
C206 C207 C208 105.4(9) . . ?
C206 C207 H20N 110.7 . . ?
C208 C207 H20N 110.7 . . ?
C206 C207 H20O 110.7 . . ?
C208 C207 H20O 110.7 . . ?
H20N C207 H20O 108.8 . . ?
C207 C208 H20P 109.5 . . ?
C207 C208 H20Q 109.5 . . ?
H20P C208 H20Q 109.5 . . ?
C207 C208 H20R 109.5 . . ?
H20P C208 H20R 109.5 . . ?
H20Q C208 H20R 109.5 . . ?
C258 C257 C206 128.3(13) . . ?
C258 C257 H25N 105.2 . . ?
C206 C257 H25N 105.2 . . ?
C258 C257 H25O 105.2 . . ?
C206 C257 H25O 105.2 . . ?
H25N C257 H25O 105.9 . . ?
C257 C258 H25P 109.5 . . ?
C257 C258 H25Q 109.5 . . ?
H25P C258 H25Q 109.5 . . ?
C257 C258 H25R 109.5 . . ?
H25P C258 H25R 109.5 . . ?
H25Q C258 H25R 109.5 . . ?
N201 C209 C210 116.0(4) . . ?
N201 C209 H20S 108.3 . . ?
C210 C209 H20S 108.3 . . ?
N201 C209 H20T 108.3 . . ?
C210 C209 H20T 108.3 . . ?
H20S C209 H20T 107.4 . . ?
C209 C210 C211 110.4(5) . . ?
C209 C210 H21A 109.6 . . ?
C211 C210 H21A 109.6 . . ?
C209 C210 H21B 109.6 . . ?
C211 C210 H21B 109.6 . . ?
H21A C210 H21B 108.1 . . ?
C212 C211 C210 114.5(5) . . ?
C212 C211 H21C 108.6 . . ?
C210 C211 H21C 108.6 . . ?
C212 C211 H21D 108.6 . . ?
C210 C211 H21D 108.6 . . ?
H21C C211 H21D 107.6 . . ?
C211 C212 H21E 109.5 . . ?
C211 C212 H21F 109.5 . . ?
H21E C212 H21F 109.5 . . ?
C211 C212 H21G 109.5 . . ?
H21E C212 H21G 109.5 . . ?
H21F C212 H21G 109.5 . . ?
C264 C213 N201 127.0(17) . . ?
N201 C213 C214 112.4(5) . . ?
N201 C213 H21H 109.1 . . ?
C214 C213 H21H 109.1 . . ?
N201 C213 H21I 109.1 . . ?
C214 C213 H21I 109.1 . . ?
H21H C213 H21I 107.9 . . ?
C264 C213 H26H 105.6 . . ?
N201 C213 H26H 105.6 . . ?
C264 C213 H26I 105.6 . . ?
N201 C213 H26I 105.6 . . ?
H26H C213 H26I 106.1 . . ?
C215 C214 C213 108.8(8) . . ?
C215 C214 H21J 109.9 . . ?
C213 C214 H21J 109.9 . . ?
C215 C214 H21K 109.9 . . ?
C213 C214 H21K 109.9 . . ?
H21J C214 H21K 108.3 . . ?
C216 C215 C214 112.4(10) . . ?
C216 C215 H21L 109.1 . . ?
C214 C215 H21L 109.1 . . ?
C216 C215 H21M 109.1 . . ?
C214 C215 H21M 109.1 . . ?
H21L C215 H21M 107.9 . . ?
C215 C216 H21N 109.5 . . ?
C215 C216 H21O 109.5 . . ?
H21N C216 H21O 109.5 . . ?
C215 C216 H21P 109.5 . . ?
H21N C216 H21P 109.5 . . ?
H21O C216 H21P 109.5 . . ?
C213 C264 C265 118(3) . . ?
C213 C264 H26J 107.7 . . ?
C265 C264 H26J 107.7 . . ?
C213 C264 H26K 107.7 . . ?
C265 C264 H26K 107.7 . . ?
H26J C264 H26K 107.1 . . ?
C266 C265 C264 146(3) . . ?
C266 C265 H26L 100.3 . . ?
C264 C265 H26L 100.3 . . ?
C266 C265 H26M 100.3 . . ?
C264 C265 H26M 100.3 . . ?
H26L C265 H26M 104.3 . . ?
C265 C266 H26N 109.5 . . ?
C265 C266 H26O 109.5 . . ?
H26N C266 H26O 109.5 . . ?
C265 C266 H26P 109.5 . . ?
H26N C266 H26P 109.5 . . ?
H26O C266 H26P 109.5 . . ?
N301 C301 C302 112.7(8) . . ?
N301 C301 H30A 109.1 . . ?
C302 C301 H30A 109.1 . . ?
N301 C301 H30B 109.1 . . ?
C302 C301 H30B 109.1 . . ?
H30A C301 H30B 107.8 . . ?
C301 C302 C303 124.4(12) . . ?
C301 C302 H30C 106.2 . . ?
C303 C302 H30C 106.2 . . ?
C301 C302 H30D 106.2 . . ?
C303 C302 H30D 106.2 . . ?
H30C C302 H30D 106.4 . . ?
C304 C303 C302 121.6(15) . . ?
C304 C303 H30E 106.9 . . ?
C302 C303 H30E 106.9 . . ?
C304 C303 H30F 106.9 . . ?
C302 C303 H30F 106.9 . . ?
H30E C303 H30F 106.7 . . ?
C303 C304 H30G 109.5 . . ?
C303 C304 H30H 109.5 . . ?
H30G C304 H30H 109.5 . . ?
C303 C304 H30I 109.5 . . ?
H30G C304 H30I 109.5 . . ?
H30H C304 H30I 109.5 . . ?
N301 C305 C306 117.1(8) . . ?
N301 C305 H30J 108.0 . . ?
C306 C305 H30J 108.0 . . ?
N301 C305 H30K 108.0 . . ?
C306 C305 H30K 108.0 . . ?
H30J C305 H30K 107.3 . . ?
C307 C306 C305 115.3(11) . . ?
C307 C306 H30L 108.4 . . ?
C305 C306 H30L 108.4 . . ?
C307 C306 H30M 108.4 . . ?
C305 C306 H30M 108.4 . . ?
H30L C306 H30M 107.5 . . ?
C308 C307 C306 119.2(15) . . ?
C308 C307 H30N 107.5 . . ?
C306 C307 H30N 107.5 . . ?
C308 C307 H30O 107.5 . . ?
C306 C307 H30O 107.5 . . ?
H30N C307 H30O 107.0 . . ?
C307 C308 H30P 109.5 . . ?
C307 C308 H30Q 109.5 . . ?
H30P C308 H30Q 109.5 . . ?
C307 C308 H30R 109.5 . . ?
H30P C308 H30R 109.5 . . ?
H30Q C308 H30R 109.5 . . ?
C310 C309 N301 115.4(6) . . ?
C310 C309 H30S 108.4 . . ?
N301 C309 H30S 108.4 . . ?
C310 C309 H30T 108.4 . . ?
N301 C309 H30T 108.4 . . ?
H30S C309 H30T 107.5 . . ?
C309 C310 C311 109.0(8) . . ?
C309 C310 H31A 109.9 . . ?
C311 C310 H31A 109.9 . . ?
C309 C310 H31B 109.9 . . ?
C311 C310 H31B 109.9 . . ?
H31A C310 H31B 108.3 . . ?
C310 C311 C312 110.3(9) . . ?
C310 C311 H31C 109.6 . . ?
C312 C311 H31C 109.6 . . ?
C310 C311 H31D 109.6 . . ?
C312 C311 H31D 109.6 . . ?
H31C C311 H31D 108.1 . . ?
C311 C312 H31E 109.5 . . ?
C311 C312 H31F 109.5 . . ?
H31E C312 H31F 109.5 . . ?
C311 C312 H31G 109.5 . . ?
H31E C312 H31G 109.5 . . ?
H31F C312 H31G 109.5 . . ?
N301 C313 C314 119.4(7) . . ?
N301 C313 H31H 107.5 . . ?
C314 C313 H31H 107.5 . . ?
N301 C313 H31I 107.5 . . ?
C314 C313 H31I 107.5 . . ?
H31H C313 H31I 107.0 . . ?
C315 C314 C313 111.7(8) . . ?
C315 C314 H31J 109.3 . . ?
C313 C314 H31J 109.3 . . ?
C315 C314 H31K 109.3 . . ?
C313 C314 H31K 109.3 . . ?
H31J C314 H31K 107.9 . . ?
C316 C315 C364 112.3(10) . . ?
C316 C315 C314 120.4(8) . . ?
C316 C315 H31L 107.2 . . ?
C314 C315 H31L 107.2 . . ?
C316 C315 H31M 107.2 . . ?
C314 C315 H31M 107.2 . . ?
H31L C315 H31M 106.9 . . ?
C316 C315 H36L 109.1 . . ?
C364 C315 H36L 109.1 . . ?
C316 C315 H36M 109.1 . . ?
C364 C315 H36M 109.1 . . ?
H36L C315 H36M 107.9 . . ?
C315 C316 H31O 109.5 . . ?
C315 C316 H31P 109.5 . . ?
H31O C316 H31P 109.5 . . ?
C315 C316 H31Q 109.5 . . ?
H31O C316 H31Q 109.5 . . ?
H31P C316 H31Q 109.5 . . ?
C352 C351 N301 115.2(9) . . ?
C352 C351 H35A 108.5 . . ?
N301 C351 H35A 108.5 . . ?
C352 C351 H35B 108.5 . . ?
N301 C351 H35B 108.5 . . ?
H35A C351 H35B 107.5 . . ?
C353 C352 C351 125.9(15) . . ?
C353 C352 C354 31.2(9) . . ?
C351 C352 C354 130.0(11) . . ?
C353 C352 H35C 105.8 . . ?
C351 C352 H35C 105.8 . . ?
C354 C352 H35C 122.1 . . ?
C353 C352 H35D 105.8 . . ?
C351 C352 H35D 105.8 . . ?
C354 C352 H35D 75.6 . . ?
H35C C352 H35D 106.2 . . ?
C352 C353 C354 121.0(16) . . ?
C352 C353 H35E 107.1 . . ?
C354 C353 H35E 107.1 . . ?
C352 C353 H35F 107.1 . . ?
C354 C353 H35F 107.1 . . ?
H35E C353 H35F 106.8 . . ?
C353 C354 C352 27.9(8) . . ?
C353 C354 H35G 109.5 . . ?
C352 C354 H35G 137.3 . . ?
C353 C354 H35H 109.5 . . ?
C352 C354 H35H 94.3 . . ?
H35G C354 H35H 109.5 . . ?
C353 C354 H35I 109.5 . . ?
C352 C354 H35I 94.3 . . ?
H35G C354 H35I 109.5 . . ?
H35H C354 H35I 109.5 . . ?
C356 C355 N301 120.8(10) . . ?
C356 C355 H35J 107.1 . . ?
N301 C355 H35J 107.1 . . ?
C356 C355 H35K 107.1 . . ?
N301 C355 H35K 107.1 . . ?
H35J C355 H35K 106.8 . . ?
C355 C356 C357 109.0(12) . . ?
C355 C356 H35L 109.9 . . ?
C357 C356 H35L 109.9 . . ?
C355 C356 H35M 109.9 . . ?
C357 C356 H35M 109.9 . . ?
H35L C356 H35M 108.3 . . ?
C358 C357 C356 111(2) . . ?
C358 C357 H35N 109.4 . . ?
C356 C357 H35N 109.4 . . ?
C358 C357 H35O 109.4 . . ?
C356 C357 H35O 109.4 . . ?
H35N C357 H35O 108.0 . . ?
C357 C358 H35P 109.5 . . ?
C357 C358 H35Q 109.5 . . ?
H35P C358 H35Q 109.5 . . ?
C357 C358 H35R 109.5 . . ?
H35P C358 H35R 109.5 . . ?
H35Q C358 H35R 109.5 . . ?
N301 C359 C360 109.7(12) . . ?
N301 C359 H35S 109.7 . . ?
C360 C359 H35S 109.7 . . ?
N301 C359 H35T 109.7 . . ?
C360 C359 H35T 109.7 . . ?
H35S C359 H35T 108.2 . . ?
C359 C360 C361 107.7(17) . . ?
C359 C360 H36A 110.2 . . ?
C361 C360 H36A 110.2 . . ?
C359 C360 H36B 110.2 . . ?
C361 C360 H36B 110.2 . . ?
H36A C360 H36B 108.5 . . ?
C362 C361 C360 115(2) . . ?
C362 C361 H36C 108.6 . . ?
C360 C361 H36C 108.6 . . ?
C362 C361 H36D 108.6 . . ?
C360 C361 H36D 108.6 . . ?
H36C C361 H36D 107.6 . . ?
C361 C362 H36E 109.5 . . ?
C361 C362 H36F 109.5 . . ?
H36E C362 H36F 109.5 . . ?
C361 C362 H36G 109.5 . . ?
H36E C362 H36G 109.5 . . ?
H36F C362 H36G 109.5 . . ?
C364 C363 N301 115.3(11) . . ?
C364 C363 H36H 108.5 . . ?
N301 C363 H36H 108.5 . . ?
C364 C363 H36I 108.5 . . ?
N301 C363 H36I 108.5 . . ?
H36H C363 H36I 107.5 . . ?
C315 C364 C363 122.8(13) . . ?
C315 C364 H36J 106.6 . . ?
C363 C364 H36J 106.6 . . ?
C315 C364 H36K 106.6 . . ?
C363 C364 H36K 106.6 . . ?
H36J C364 H36K 106.6 . . ?
C402 C401 H40A 109.5 . . ?
C402 C401 H40B 109.5 . . ?
H40A C401 H40B 109.5 . . ?
C402 C401 H40C 109.5 . . ?
H40A C401 H40C 109.5 . . ?
H40B C401 H40C 109.5 . . ?
O401 C402 O402 118.7(13) . . ?
O401 C402 C401 128.3(16) . . ?
O402 C402 C401 112.8(11) . . ?
O402 C403 C404 112.5(9) . . ?
O402 C403 H40D 109.1 . . ?
C404 C403 H40D 109.1 . . ?
O402 C403 H40E 109.1 . . ?
C404 C403 H40E 109.1 . . ?
H40D C403 H40E 107.8 . . ?
C403 C404 H40F 109.5 . . ?
C403 C404 H40G 109.5 . . ?
H40F C404 H40G 109.5 . . ?
C403 C404 H40H 109.5 . . ?
H40F C404 H40H 109.5 . . ?
H40G C404 H40H 109.5 . . ?
N501 C501 C502 178.9(8) . . ?
C501 C502 H50A 109.5 . . ?
C501 C502 H50B 109.5 . . ?
H50A C502 H50B 109.5 . . ?
C501 C502 H50C 109.5 . . ?
H50A C502 H50C 109.5 . . ?
H50B C502 H50C 109.5 . . ?
C105 N101 C113 111.4(5) . . ?
C105 N101 C109 106.7(4) . . ?
C113 N101 C109 110.6(5) . . ?
C105 N101 C101 111.1(5) . . ?
C113 N101 C101 106.0(4) . . ?
C109 N101 C101 111.1(4) . . ?
C209 N201 C205 111.2(5) . . ?
C209 N201 C201 105.8(4) . . ?
C205 N201 C201 111.7(5) . . ?
C209 N201 C213 110.5(5) . . ?
C205 N201 C213 107.1(5) . . ?
C201 N201 C213 110.6(5) . . ?
C301 N301 C305 118.1(7) . . ?
C359 N301 C363 121.1(10) . . ?
C301 N301 C313 112.9(6) . . ?
C305 N301 C313 109.4(6) . . ?
C359 N301 C355 116.1(8) . . ?
C363 N301 C355 110.0(8) . . ?
C301 N301 C309 106.6(5) . . ?
C305 N301 C309 103.1(5) . . ?
C313 N301 C309 105.4(5) . . ?
C359 N301 C351 102.9(8) . . ?
C363 N301 C351 99.8(8) . . ?
C355 N301 C351 103.5(8) . . ?
C2 O1A V1 128.7(3) . . ?
C4 O1B V1 128.6(3) . . ?
V4 O5 V2 115.45(17) . . ?
V4 O5 V1 92.99(11) . . ?
V2 O5 V1 92.45(12) . . ?
V2 O6 V3 114.66(15) . . ?
V3 O7 V4 113.76(16) . . ?
V1 O8 V5 142.38(15) . . ?
V1 O8 V2 108.12(13) . . ?
V5 O8 V2 105.15(13) . . ?
V6 O9 V2 134.97(17) . . ?
V6 O9 V5 98.04(12) . . ?
V2 O9 V5 100.62(12) . . ?
V6 O10 V7 98.72(14) . . ?
V6 O10 V3 131.75(18) . . ?
V7 O10 V3 101.36(15) . . ?
V8 O11 V7 98.20(14) . . ?
V8 O11 V3 132.62(19) . . ?
V7 O11 V3 101.71(15) . . ?
V8 O12 V4 134.97(17) . . ?
V8 O12 V9 97.84(13) . . ?
V4 O12 V9 100.44(15) . . ?
V1 O13 V9 142.98(17) . . ?
V1 O13 V4 108.37(14) . . ?
V9 O13 V4 105.11(15) . . ?
V5 O19 V10 136.90(16) . . ?
V6 O20 V5 100.79(12) . . ?
V6 O20 V11 103.50(13) . . ?
V5 O20 V11 129.74(14) . . ?
V7 O21 V6 100.02(13) . . ?
V7 O21 V11 132.51(16) . . ?
V6 O21 V11 100.65(13) . . ?
V7 O22 V8 100.05(14) . . ?
V7 O22 V12 134.37(16) . . ?
V8 O22 V12 99.77(15) . . ?
V8 O23 V9 100.86(14) . . ?
V8 O23 V12 103.04(15) . . ?
V9 O23 V12 129.14(15) . . ?
V9 O24 V10 136.12(17) . . ?
V11 O28 V10 115.54(14) . . ?
V11 O29 V12 114.86(15) . . ?
V12 O30 V10 114.86(15) . . ?
C402 O402 C403 119.6(8) . . ?
O1 V1 O13 102.72(16) . . ?
O1 V1 O8 101.84(15) . . ?
O13 V1 O8 96.84(13) . . ?
O1 V1 O1A 101.85(16) . . ?
O13 V1 O1A 154.15(14) . . ?
O8 V1 O1A 85.85(13) . . ?
O1 V1 O1B 100.91(16) . . ?
O13 V1 O1B 84.98(14) . . ?
O8 V1 O1B 156.16(13) . . ?
O1A V1 O1B 82.61(13) . . ?
O1 V1 O5 173.52(15) . . ?
O13 V1 O5 73.51(12) . . ?
O8 V1 O5 73.71(11) . . ?
O1A V1 O5 82.71(12) . . ?
O1B V1 O5 84.16(12) . . ?
O1 V1 V2 139.18(13) . . ?
O13 V1 V2 87.69(9) . . ?
O8 V1 V2 37.36(9) . . ?
O1A V1 V2 78.89(10) . . ?
O1B V1 V2 119.43(10) . . ?
O5 V1 V2 36.71(7) . . ?
O2 V2 O6 103.31(16) . . ?
O2 V2 O5 103.41(15) . . ?
O6 V2 O5 95.40(15) . . ?
O2 V2 O9 102.55(14) . . ?
O6 V2 O9 91.00(14) . . ?
O5 V2 O9 151.00(12) . . ?
O2 V2 O8 100.45(15) . . ?
O6 V2 O8 155.45(14) . . ?
O5 V2 O8 84.94(13) . . ?
O9 V2 O8 77.84(11) . . ?
O2 V2 F1 178.89(15) . . ?
O6 V2 F1 77.78(12) . . ?
O5 V2 F1 76.21(12) . . ?
O9 V2 F1 77.59(11) . . ?
O8 V2 F1 78.49(10) . . ?
O2 V2 V3 135.86(13) . . ?
O6 V2 V3 32.69(10) . . ?
O5 V2 V3 84.06(11) . . ?
O9 V2 V3 86.29(10) . . ?
O8 V2 V3 123.65(9) . . ?
F1 V2 V3 45.22(6) . . ?
O2 V2 V5 106.27(12) . . ?
O6 V2 V5 127.74(11) . . ?
O5 V2 V5 117.75(9) . . ?
O9 V2 V5 41.10(8) . . ?
O8 V2 V5 36.79(8) . . ?
F1 V2 V5 73.09(6) . . ?
V3 V2 V5 108.15(3) . . ?
O2 V2 V1 101.19(13) . . ?
O6 V2 V1 142.24(10) . . ?
O5 V2 V1 50.84(10) . . ?
O9 V2 V1 111.14(8) . . ?
O8 V2 V1 34.52(8) . . ?
F1 V2 V1 77.75(7) . . ?
V3 V2 V1 115.87(3) . . ?
V5 V2 V1 70.32(2) . . ?
O3 V3 O6 102.62(18) . . ?
O3 V3 O7 102.74(17) . . ?
O6 V3 O7 95.56(16) . . ?
O3 V3 O10 99.47(17) . . ?
O6 V3 O10 89.97(14) . . ?
O7 V3 O10 155.31(13) . . ?
O3 V3 O11 100.39(18) . . ?
O6 V3 O11 155.08(13) . . ?
O7 V3 O11 88.55(15) . . ?
O10 V3 O11 76.88(13) . . ?
O3 V3 F1 177.14(17) . . ?
O6 V3 F1 79.21(12) . . ?
O7 V3 F1 79.17(12) . . ?
O10 V3 F1 78.26(11) . . ?
O11 V3 F1 77.46(11) . . ?
O3 V3 V4 135.79(14) . . ?
O6 V3 V4 85.31(11) . . ?
O7 V3 V4 33.11(10) . . ?
O10 V3 V4 124.23(9) . . ?
O11 V3 V4 84.86(10) . . ?
F1 V3 V4 46.24(6) . . ?
O3 V3 V2 135.24(16) . . ?
O6 V3 V2 32.66(10) . . ?
O7 V3 V2 85.81(12) . . ?
O10 V3 V2 85.99(10) . . ?
O11 V3 V2 123.92(9) . . ?
F1 V3 V2 46.68(7) . . ?
V4 V3 V2 61.96(3) . . ?
O3 V3 V7 103.03(15) . . ?
O6 V3 V7 125.45(10) . . ?
O7 V3 V7 123.95(11) . . ?
O10 V3 V7 38.71(10) . . ?
O11 V3 V7 38.17(9) . . ?
F1 V3 V7 74.11(7) . . ?
V4 V3 V7 107.16(3) . . ?
V2 V3 V7 108.04(3) . . ?
O4 V4 O7 102.17(17) . . ?
O4 V4 O5 102.97(16) . . ?
O7 V4 O5 95.98(15) . . ?
O4 V4 O12 101.96(15) . . ?
O7 V4 O12 91.42(15) . . ?
O5 V4 O12 151.82(13) . . ?
O4 V4 O13 101.48(16) . . ?
O7 V4 O13 155.63(14) . . ?
O5 V4 O13 84.36(13) . . ?
O12 V4 O13 77.98(13) . . ?
O4 V4 F1 179.51(17) . . ?
O7 V4 F1 78.30(12) . . ?
O5 V4 F1 76.82(11) . . ?
O12 V4 F1 78.14(11) . . ?
O13 V4 F1 78.07(10) . . ?
O4 V4 V3 135.10(14) . . ?
O7 V4 V3 33.12(10) . . ?
O5 V4 V3 84.31(11) . . ?
O12 V4 V3 87.27(10) . . ?
O13 V4 V3 123.40(9) . . ?
F1 V4 V3 45.36(6) . . ?
O4 V4 V9 106.32(12) . . ?
O7 V4 V9 128.54(11) . . ?
O5 V4 V9 117.55(10) . . ?
O12 V4 V9 41.43(10) . . ?
O13 V4 V9 36.59(9) . . ?
F1 V4 V9 73.44(6) . . ?
V3 V4 V9 109.03(3) . . ?
O14 V5 O19 105.81(15) . . ?
O14 V5 O8 106.51(14) . . ?
O19 V5 O8 96.39(12) . . ?
O14 V5 O20 104.66(14) . . ?
O19 V5 O20 96.17(12) . . ?
O8 V5 O20 141.58(12) . . ?
O14 V5 O9 102.44(14) . . ?
O19 V5 O9 151.73(13) . . ?
O8 V5 O9 76.30(11) . . ?
O20 V5 O9 75.54(11) . . ?
O14 V5 V6 114.75(12) . . ?
O19 V5 V6 124.60(10) . . ?
O8 V5 V6 105.95(9) . . ?
O20 V5 V6 39.16(8) . . ?
O9 V5 V6 37.65(8) . . ?
O14 V5 V2 109.99(11) . . ?
O19 V5 V2 128.14(9) . . ?
O8 V5 V2 38.07(8) . . ?
O20 V5 V2 109.25(8) . . ?
O9 V5 V2 38.28(8) . . ?
V6 V5 V2 70.32(2) . . ?
O15 V6 O9 107.87(16) . . ?
O15 V6 O10 105.62(16) . . ?
O9 V6 O10 98.27(14) . . ?
O15 V6 O20 108.28(15) . . ?
O9 V6 O20 82.91(12) . . ?
O10 V6 O20 143.91(12) . . ?
O15 V6 O21 106.27(16) . . ?
O9 V6 O21 145.17(12) . . ?
O10 V6 O21 78.91(13) . . ?
O20 V6 O21 80.08(12) . . ?
O15 V6 V7 118.95(14) . . ?
O9 V6 V7 123.53(9) . . ?
O10 V6 V7 41.69(10) . . ?
O20 V6 V7 108.54(8) . . ?
O21 V6 V7 38.60(8) . . ?
O15 V6 V5 123.03(14) . . ?
O9 V6 V5 44.31(9) . . ?
O10 V6 V5 123.97(10) . . ?
O20 V6 V5 40.05(8) . . ?
O21 V6 V5 108.94(9) . . ?
V7 V6 V5 116.64(3) . . ?
O15 V6 V11 113.10(12) . . ?
O9 V6 V11 116.49(9) . . ?
O10 V6 V11 114.04(10) . . ?
O20 V6 V11 39.49(8) . . ?
O21 V6 V11 40.60(8) . . ?
V7 V6 V11 72.75(3) . . ?
V5 V6 V11 72.65(2) . . ?
O16 V7 O22 106.90(19) . . ?
O16 V7 O21 107.15(18) . . ?
O22 V7 O21 98.86(13) . . ?
O16 V7 O11 108.06(18) . . ?
O22 V7 O11 80.46(14) . . ?
O21 V7 O11 143.33(14) . . ?
O16 V7 O10 108.25(18) . . ?
O22 V7 O10 143.61(14) . . ?
O21 V7 O10 79.57(13) . . ?
O11 V7 O10 80.04(14) . . ?
O16 V7 V8 120.81(16) . . ?
O22 V7 V8 41.32(10) . . ?
O21 V7 V8 123.07(9) . . ?
O11 V7 V8 40.33(10) . . ?
O10 V7 V8 109.66(10) . . ?
O16 V7 V6 121.52(16) . . ?
O22 V7 V6 122.74(10) . . ?
O21 V7 V6 41.38(10) . . ?
O11 V7 V6 108.74(11) . . ?
O10 V7 V6 39.59(9) . . ?
V8 V7 V6 116.79(3) . . ?
O16 V7 V3 114.33(15) . . ?
O22 V7 V3 114.56(11) . . ?
O21 V7 V3 113.66(10) . . ?
O11 V7 V3 40.12(11) . . ?
O10 V7 V3 39.92(9) . . ?
V8 V7 V3 73.79(3) . . ?
V6 V7 V3 72.70(3) . . ?
O17 V8 O12 108.53(17) . . ?
O17 V8 O11 105.67(18) . . ?
O12 V8 O11 97.37(15) . . ?
O17 V8 O23 107.75(17) . . ?
O12 V8 O23 83.09(14) . . ?
O11 V8 O23 144.53(13) . . ?
O17 V8 O22 105.63(17) . . ?
O12 V8 O22 145.30(13) . . ?
O11 V8 O22 78.93(14) . . ?
O23 V8 O22 80.96(13) . . ?
O17 V8 V7 117.86(16) . . ?
O12 V8 V7 123.40(10) . . ?
O11 V8 V7 41.47(10) . . ?
O23 V8 V7 109.89(9) . . ?
O22 V8 V7 38.63(9) . . ?
O17 V8 V9 123.68(16) . . ?
O12 V8 V9 44.74(10) . . ?
O11 V8 V9 123.42(11) . . ?
O23 V8 V9 39.98(10) . . ?
O22 V8 V9 109.04(9) . . ?
V7 V8 V9 117.06(3) . . ?
O17 V8 V12 112.19(13) . . ?
O12 V8 V12 116.76(10) . . ?
O11 V8 V12 114.90(10) . . ?
O23 V8 V12 39.61(9) . . ?
O22 V8 V12 41.35(9) . . ?
V7 V8 V12 73.94(3) . . ?
V9 V8 V12 72.43(3) . . ?
O18 V9 O24 105.60(17) . . ?
O18 V9 O13 105.80(15) . . ?
O24 V9 O13 96.82(14) . . ?
O18 V9 O23 105.21(16) . . ?
O24 V9 O23 96.32(13) . . ?
O13 V9 O23 141.46(13) . . ?
O18 V9 O12 102.24(16) . . ?
O24 V9 O12 152.13(13) . . ?
O13 V9 O12 76.40(13) . . ?
O23 V9 O12 75.14(13) . . ?
O18 V9 V8 115.33(15) . . ?
O24 V9 V8 124.63(10) . . ?
O13 V9 V8 105.62(10) . . ?
O23 V9 V8 39.16(9) . . ?
O12 V9 V8 37.41(9) . . ?
O18 V9 V4 109.12(12) . . ?
O24 V9 V4 129.01(10) . . ?
O13 V9 V4 38.30(10) . . ?
O23 V9 V4 108.93(9) . . ?
O12 V9 V4 38.13(9) . . ?
V8 V9 V4 69.93(3) . . ?
O25 V10 O28 102.13(15) . . ?
O25 V10 O30 101.65(15) . . ?
O28 V10 O30 90.85(12) . . ?
O25 V10 O19 100.62(14) . . ?
O28 V10 O19 85.41(12) . . ?
O30 V10 O19 157.70(12) . . ?
O25 V10 O24 100.17(15) . . ?
O28 V10 O24 157.69(12) . . ?
O30 V10 O24 84.96(13) . . ?
O19 V10 O24 90.20(12) . . ?
O25 V10 F2 179.55(15) . . ?
O28 V10 F2 77.90(10) . . ?
O30 V10 F2 77.89(10) . . ?
O19 V10 F2 79.83(10) . . ?
O24 V10 F2 79.80(10) . . ?
O25 V10 V12 133.32(12) . . ?
O28 V10 V12 82.13(9) . . ?
O30 V10 V12 31.76(9) . . ?
O19 V10 V12 126.04(8) . . ?
O24 V10 V12 82.85(9) . . ?
F2 V10 V12 46.23(6) . . ?
O25 V10 V11 133.78(13) . . ?
O28 V10 V11 31.80(8) . . ?
O30 V10 V11 81.84(9) . . ?
O19 V10 V11 83.49(8) . . ?
O24 V10 V11 125.97(9) . . ?
F2 V10 V11 46.23(6) . . ?
V12 V10 V11 59.85(2) . . ?
O26 V11 O28 103.00(14) . . ?
O26 V11 O29 103.21(14) . . ?
O28 V11 O29 95.13(13) . . ?
O26 V11 O20 101.25(13) . . ?
O28 V11 O20 90.53(12) . . ?
O29 V11 O20 152.92(12) . . ?
O26 V11 O21 100.19(14) . . ?
O28 V11 O21 154.98(12) . . ?
O29 V11 O21 88.57(13) . . ?
O20 V11 O21 75.76(11) . . ?
O26 V11 F2 177.67(13) . . ?
O28 V11 F2 78.20(10) . . ?
O29 V11 F2 78.59(11) . . ?
O20 V11 F2 76.69(9) . . ?
O21 V11 F2 78.31(10) . . ?
O26 V11 V6 103.89(11) . . ?
O28 V11 V6 124.55(9) . . ?
O29 V11 V6 123.90(9) . . ?
O20 V11 V6 37.01(8) . . ?
O21 V11 V6 38.75(9) . . ?
F2 V11 V6 73.82(6) . . ?
O26 V11 V12 135.63(11) . . ?
O28 V11 V12 82.94(9) . . ?
O29 V11 V12 32.74(9) . . ?
O20 V11 V12 122.83(8) . . ?
O21 V11 V12 87.06(9) . . ?
F2 V11 V12 46.31(6) . . ?
V6 V11 V12 108.34(3) . . ?
O26 V11 V10 135.63(11) . . ?
O28 V11 V10 32.67(9) . . ?
O29 V11 V10 85.19(10) . . ?
O20 V11 V10 85.45(8) . . ?
O21 V11 V10 123.76(8) . . ?
F2 V11 V10 45.66(6) . . ?
V6 V11 V10 106.88(3) . . ?
V12 V11 V10 60.04(2) . . ?
O27 V12 O30 104.09(16) . . ?
O27 V12 O29 102.90(16) . . ?
O30 V12 O29 94.89(13) . . ?
O27 V12 O23 101.40(15) . . ?
O30 V12 O23 91.87(13) . . ?
O29 V12 O23 152.31(13) . . ?
O27 V12 O22 99.75(15) . . ?
O30 V12 O22 155.07(13) . . ?
O29 V12 O22 86.73(13) . . ?
O23 V12 O22 76.23(13) . . ?
O27 V12 F2 176.51(14) . . ?
O30 V12 F2 78.98(11) . . ?
O29 V12 F2 78.30(11) . . ?
O23 V12 F2 76.71(10) . . ?
O22 V12 F2 77.00(10) . . ?
O27 V12 V8 103.49(12) . . ?
O30 V12 V8 125.99(10) . . ?
O29 V12 V8 122.45(10) . . ?
O23 V12 V8 37.36(9) . . ?
O22 V12 V8 38.87(9) . . ?
F2 V12 V8 73.20(6) . . ?
O27 V12 V11 135.14(13) . . ?
O30 V12 V11 83.27(9) . . ?
O29 V12 V11 32.40(9) . . ?
O23 V12 V11 122.82(9) . . ?
O22 V12 V11 85.00(9) . . ?
F2 V12 V11 46.35(6) . . ?
V8 V12 V11 107.21(3) . . ?
O27 V12 V10 137.45(13) . . ?
O30 V12 V10 33.39(9) . . ?
O29 V12 V10 84.98(9) . . ?
O23 V12 V10 86.06(9) . . ?
O22 V12 V10 122.59(9) . . ?
F2 V12 V10 45.70(6) . . ?
V8 V12 V10 106.99(3) . . ?
V11 V12 V10 60.11(2) . . ?
V3 F1 V4 88.40(8) . . ?
V3 F1 V2 88.10(8) . . ?
V4 F1 V2 90.43(10) . . ?
V10 F2 V12 88.07(8) . . ?
V10 F2 V11 88.11(8) . . ?
V12 F2 V11 87.34(8) . . ?
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
C1 C2 1.487(6) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 O1A 1.282(5) . ?
C2 C3 1.394(7) . ?
C3 C4 1.381(7) . ?
C3 H3 0.9500 . ?
C4 O1B 1.273(5) . ?
C4 C5 1.509(7) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C101 C102 1.517(7) . ?
C101 N101 1.523(6) . ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C102 C103 1.525(7) . ?
C102 H10C 0.9900 . ?
C102 H10D 0.9900 . ?
C103 C104 1.509(9) . ?
C103 H10E 0.9900 . ?
C103 H10F 0.9900 . ?
C104 H10G 0.9800 . ?
C104 H10H 0.9800 . ?
C104 H10I 0.9800 . ?
C105 N101 1.497(8) . ?
C105 C106 1.497(10) . ?
C105 H10J 0.9900 . ?
C105 H10K 0.9900 . ?
C106 C107 1.502(11) . ?
C106 H10L 0.9900 . ?
C106 H10M 0.9900 . ?
C107 C108 1.415(12) . ?
C107 H10N 0.9900 . ?
C107 H10O 0.9900 . ?
C108 H10P 0.9800 . ?
C108 H10Q 0.9800 . ?
C108 H10R 0.9800 . ?
C109 C110 1.510(9) . ?
C109 N101 1.518(8) . ?
C109 H10S 0.9900 . ?
C109 H10T 0.9900 . ?
C110 C111 1.495(10) . ?
C110 H11A 0.9900 . ?
C110 H11B 0.9900 . ?
C111 C112 1.504(11) . ?
C111 H11C 0.9900 . ?
C111 H11D 0.9900 . ?
C112 H11E 0.9800 . ?
C112 H11F 0.9800 . ?
C112 H11G 0.9800 . ?
C113 N101 1.511(6) . ?
C113 C114 1.518(9) . ?
C113 H11H 0.9900 . ?
C113 H11I 0.9900 . ?
C114 C115 1.530(9) . ?
C114 H11J 0.9900 . ?
C114 H11K 0.9900 . ?
C115 C116 1.447(12) . ?
C115 H11L 0.9900 . ?
C115 H11M 0.9900 . ?
C116 H11N 0.9800 . ?
C116 H11O 0.9800 . ?
C116 H11P 0.9800 . ?
C201 C202 1.493(10) . ?
C201 N201 1.521(7) . ?
C201 H20A 0.9900 . ?
C201 H20B 0.9900 . ?
C202 C203 1.505(9) . ?
C202 H20C 0.9900 . ?
C202 H20D 0.9900 . ?
C203 C204 1.424(13) . ?
C203 H20E 0.9900 . ?
C203 H20F 0.9900 . ?
C204 H20G 0.9800 . ?
C204 H20H 0.9800 . ?
C204 H20I 0.9800 . ?
C205 C206 1.517(10) . ?
C205 N201 1.517(8) . ?
C205 H20J 0.9900 . ?
C205 H20K 0.9900 . ?
C206 C207 1.417(12) . ?
C206 C257 1.535(17) . ?
C206 H20L 0.9900 . ?
C206 H20M 0.9900 . ?
C206 H25L 0.9900 . ?
C206 H25M 0.9900 . ?
C207 C208 1.547(16) . ?
C207 H20N 0.9900 . ?
C207 H20O 0.9900 . ?
C208 H20P 0.9800 . ?
C208 H20Q 0.9800 . ?
C208 H20R 0.9800 . ?
C257 C258 1.52(2) . ?
C257 H25N 0.9900 . ?
C257 H25O 0.9900 . ?
C258 H25P 0.9800 . ?
C258 H25Q 0.9800 . ?
C258 H25R 0.9800 . ?
C209 N201 1.507(7) . ?
C209 C210 1.510(8) . ?
C209 H20S 0.9900 . ?
C209 H20T 0.9900 . ?
C210 C211 1.514(8) . ?
C210 H21A 0.9900 . ?
C210 H21B 0.9900 . ?
C211 C212 1.483(9) . ?
C211 H21C 0.9900 . ?
C211 H21D 0.9900 . ?
C212 H21E 0.9800 . ?
C212 H21F 0.9800 . ?
C212 H21G 0.9800 . ?
C213 C264 1.25(4) . ?
C213 N201 1.525(8) . ?
C213 C214 1.611(13) . ?
C213 H21H 0.9900 . ?
C213 H21I 0.9900 . ?
C213 H26H 0.9900 . ?
C213 H26I 0.9900 . ?
C214 C215 1.552(13) . ?
C214 H21J 0.9900 . ?
C214 H21K 0.9900 . ?
C215 C216 1.476(13) . ?
C215 H21L 0.9900 . ?
C215 H21M 0.9900 . ?
C216 H21N 0.9800 . ?
C216 H21O 0.9800 . ?
C216 H21P 0.9800 . ?
C264 C265 1.59(5) . ?
C264 H26J 0.9900 . ?
C264 H26K 0.9900 . ?
C265 C266 0.96(3) . ?
C265 H26L 0.9900 . ?
C265 H26M 0.9900 . ?
C266 H26N 0.9800 . ?
C266 H26O 0.9800 . ?
C266 H26P 0.9800 . ?
C301 N301 1.438(9) . ?
C301 C302 1.539(12) . ?
C301 H30A 0.9900 . ?
C301 H30B 0.9900 . ?
C302 C303 1.637(14) . ?
C302 H30C 0.9900 . ?
C302 H30D 0.9900 . ?
C303 C304 1.348(15) . ?
C303 H30E 0.9900 . ?
C303 H30F 0.9900 . ?
C304 H30G 0.9800 . ?
C304 H30H 0.9800 . ?
C304 H30I 0.9800 . ?
C305 N301 1.499(10) . ?
C305 C306 1.513(12) . ?
C305 H30J 0.9900 . ?
C305 H30K 0.9900 . ?
C306 C307 1.491(19) . ?
C306 H30L 0.9900 . ?
C306 H30M 0.9900 . ?
C307 C308 1.43(2) . ?
C307 H30N 0.9900 . ?
C307 H30O 0.9900 . ?
C308 H30P 0.9800 . ?
C308 H30Q 0.9800 . ?
C308 H30R 0.9800 . ?
C309 C310 1.516(12) . ?
C309 N301 1.639(10) . ?
C309 H30S 0.9900 . ?
C309 H30T 0.9900 . ?
C310 C311 1.524(18) . ?
C310 H31A 0.9900 . ?
C310 H31B 0.9900 . ?
C311 C312 1.532(19) . ?
C311 H31C 0.9900 . ?
C311 H31D 0.9900 . ?
C312 H31E 0.9800 . ?
C312 H31F 0.9800 . ?
C312 H31G 0.9800 . ?
C313 N301 1.507(9) . ?
C313 C314 1.533(12) . ?
C313 H31H 0.9900 . ?
C313 H31I 0.9900 . ?
C314 C315 1.504(11) . ?
C314 H31J 0.9900 . ?
C314 H31K 0.9900 . ?
C315 C316 1.415(9) . ?
C315 C364 1.447(17) . ?
C315 H31L 0.9900 . ?
C315 H31M 0.9900 . ?
C315 H36L 0.9900 . ?
C315 H36M 0.9900 . ?
C316 H31O 0.9800 . ?
C316 H31P 0.9800 . ?
C316 H31Q 0.9800 . ?
C351 C352 1.482(15) . ?
C351 N301 1.697(13) . ?
C351 H35A 0.9900 . ?
C351 H35B 0.9900 . ?
C352 C353 1.385(15) . ?
C352 C354 2.54(2) . ?
C352 H35C 0.9900 . ?
C352 H35D 0.9900 . ?
C353 C354 1.535(16) . ?
C353 H35E 0.9900 . ?
C353 H35F 0.9900 . ?
C354 H35G 0.9800 . ?
C354 H35H 0.9800 . ?
C354 H35I 0.9800 . ?
C355 C356 1.489(18) . ?
C355 N301 1.534(13) . ?
C355 H35J 0.9900 . ?
C355 H35K 0.9900 . ?
C356 C357 1.55(2) . ?
C356 H35L 0.9900 . ?
C356 H35M 0.9900 . ?
C357 C358 1.49(3) . ?
C357 H35N 0.9900 . ?
C357 H35O 0.9900 . ?
C358 H35P 0.9800 . ?
C358 H35Q 0.9800 . ?
C358 H35R 0.9800 . ?
C359 N301 1.405(14) . ?
C359 C360 1.51(2) . ?
C359 H35S 0.9900 . ?
C359 H35T 0.9900 . ?
C360 C361 1.60(3) . ?
C360 H36A 0.9900 . ?
C360 H36B 0.9900 . ?
C361 C362 1.37(4) . ?
C361 H36C 0.9900 . ?
C361 H36D 0.9900 . ?
C362 H36E 0.9800 . ?
C362 H36F 0.9800 . ?
C362 H36G 0.9800 . ?
C363 C364 1.47(2) . ?
C363 N301 1.501(14) . ?
C363 H36H 0.9900 . ?
C363 H36I 0.9900 . ?
C364 H36J 0.9900 . ?
C364 H36K 0.9900 . ?
C401 C402 1.448(16) . ?
C401 H40A 0.9800 . ?
C401 H40B 0.9800 . ?
C401 H40C 0.9800 . ?
C402 O401 1.175(12) . ?
C402 O402 1.434(15) . ?
C403 O402 1.502(14) . ?
C403 C404 1.549(16) . ?
C403 H40D 0.9900 . ?
C403 H40E 0.9900 . ?
C404 H40F 0.9800 . ?
C404 H40G 0.9800 . ?
C404 H40H 0.9800 . ?
C501 N501 1.116(8) . ?
C501 C502 1.434(8) . ?
C502 H50A 0.9800 . ?
C502 H50B 0.9800 . ?
C502 H50C 0.9800 . ?
O1 V1 1.578(3) . ?
O1A V1 1.958(3) . ?
O1B V1 1.984(3) . ?
O2 V2 1.591(3) . ?
O3 V3 1.605(3) . ?
O4 V4 1.587(3) . ?
O5 V4 1.857(3) . ?
O5 V2 1.861(3) . ?
O5 V1 2.414(3) . ?
O6 V2 1.815(3) . ?
O6 V3 1.816(4) . ?
O7 V3 1.821(3) . ?
O7 V4 1.821(4) . ?
O8 V1 1.854(3) . ?
O8 V5 1.929(3) . ?
O8 V2 1.986(3) . ?
O9 V6 1.818(3) . ?
O9 V2 1.959(3) . ?
O9 V5 2.079(3) . ?
O10 V6 1.872(3) . ?
O10 V7 1.954(3) . ?
O10 V3 2.005(3) . ?
O11 V8 1.890(3) . ?
O11 V7 1.933(3) . ?
O11 V3 2.016(4) . ?
O12 V8 1.808(3) . ?
O12 V4 1.954(3) . ?
O12 V9 2.094(3) . ?
O13 V1 1.850(3) . ?
O13 V9 1.922(3) . ?
O13 V4 1.999(3) . ?
O14 V5 1.602(3) . ?
O15 V6 1.591(3) . ?
O16 V7 1.588(4) . ?
O17 V8 1.592(3) . ?
O18 V9 1.600(3) . ?
O19 V5 1.701(3) . ?
O19 V10 1.956(3) . ?
O20 V6 1.895(3) . ?
O20 V5 1.931(3) . ?
O20 V11 2.002(3) . ?
O21 V7 1.839(3) . ?
O21 V6 1.949(3) . ?
O21 V11 2.027(3) . ?
O22 V7 1.832(3) . ?
O22 V8 1.938(3) . ?
O22 V12 2.040(3) . ?
O23 V8 1.895(3) . ?
O23 V9 1.929(3) . ?
O23 V12 1.991(3) . ?
O24 V9 1.700(3) . ?
O24 V10 1.966(3) . ?
O25 V10 1.586(3) . ?
O26 V11 1.600(3) . ?
O27 V12 1.592(3) . ?
O28 V11 1.798(3) . ?
O28 V10 1.842(3) . ?
O29 V11 1.813(3) . ?
O29 V12 1.830(3) . ?
O30 V12 1.784(3) . ?
O30 V10 1.866(3) . ?
V1 V2 3.1103(10) . ?
V2 F1 2.225(3) . ?
V2 V3 3.0569(12) . ?
V2 V5 3.1089(9) . ?
V3 F1 2.171(2) . ?
V3 V4 3.0501(12) . ?
V3 V7 3.0632(12) . ?
V4 F1 2.204(2) . ?
V4 V9 3.1129(10) . ?
V5 V6 2.9475(10) . ?
V6 V7 2.9038(11) . ?
V6 V11 3.0607(10) . ?
V7 V8 2.8897(12) . ?
V8 V9 2.9475(12) . ?
V8 V12 3.0427(10) . ?
V10 F2 2.203(2) . ?
V10 V12 3.0765(10) . ?
V10 V11 3.0785(10) . ?
V11 F2 2.224(2) . ?
V11 V12 3.0707(10) . ?
V12 F2 2.223(2) . ?
