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#$Date: 2025-07-06 19:19:36 +0300 (Sun, 06 Jul 2025) $
#$Revision: 300862 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/81/7718137.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_7718137
loop_
_publ_author_name
'Jimbo, Atsuhiro'
'Li, Chifeng'
'Yonesato, Kentaro'
'Yamaguchi, Kazuya'
'Suzuki, Kosuke'
_publ_section_title
;
 Ligand-directed top-down synthesis of trivacant lacunary
 polyoxomolybdates from plenary Keggin-type
 [α-XMo₁₂O₄₀]³⁻ (X = P, As, V) in
 organic media.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8234
_journal_page_last               8240
_journal_paper_doi               10.1039/d5dt00252d
_journal_volume                  54
_journal_year                    2025
_chemical_formula_sum            'C70 H132 Mo9 N11 O31 V'
_chemical_formula_weight         2538.26
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-12-05 deposited with the CCDC.	2025-02-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.6755(3)
_cell_length_b                   25.1212(5)
_cell_length_c                   46.4027(9)
_cell_measurement_reflns_used    31529
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      26.4230
_cell_measurement_theta_min      1.6050
_cell_volume                     19438.5(6)
_computing_cell_refinement       'CrysAlisPro 1.171.43.90 (Rigaku OD, 2023)'
_computing_data_collection
'CrysAlisPro system (CCD 43.121a 64-bit (release 24-04-2024))'
_computing_data_reduction        'CrysAlisPro 1.171.43.90 (Rigaku OD, 2023)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      93(2)
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1238
_diffrn_reflns_av_unetI/netI     0.1117
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       57
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            88708
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         1.708
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    1.289
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.19588
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.90 (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'Light yellow'
_exptl_crystal_density_diffrn    1.735
_exptl_crystal_density_method    'Not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             10224
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.020
_refine_diff_density_max         2.976
_refine_diff_density_min         -1.569
_refine_diff_density_rms         0.212
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1183
_refine_ls_number_reflns         19855
_refine_ls_number_restraints     263
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.1192
_refine_ls_R_factor_gt           0.0916
_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)+(0.1291P)²+105.9778P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2342
_refine_ls_wR_factor_ref         0.2548
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14195
_reflns_number_total             19855
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt00252d2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7718136--7718141.cif.'
_cod_database_code               7718137
_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   0.882
_shelx_estimated_absorpt_t_max   0.975
_oxdiff_exptl_absorpt_empirical_full_min 0.479
_oxdiff_exptl_absorpt_empirical_full_max 2.716
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
- B-factor correction
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, 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
Mo1 Mo 0.35681(5) 0.71319(3) 0.43047(2) 0.0374(2) Uani 1 1 d . . . . .
Mo2 Mo 0.51065(5) 0.77849(3) 0.40015(2) 0.0375(2) Uani 1 1 d . . . . .
Mo3 Mo 0.63146(4) 0.70313(3) 0.34457(2) 0.0358(2) Uani 1 1 d . . . . .
Mo4 Mo 0.65416(4) 0.57137(3) 0.35236(2) 0.03123(19) Uani 1 1 d . . . . .
Mo5 Mo 0.48423(5) 0.49972(3) 0.38931(2) 0.0397(2) Uani 1 1 d . . . . .
Mo6 Mo 0.37650(5) 0.56405(3) 0.43957(2) 0.0448(2) Uani 1 1 d . . . . .
V1 V 0.49866(8) 0.63858(5) 0.39120(3) 0.0268(3) Uani 1 1 d . . . . .
O1 O 0.4824(3) 0.6932(2) 0.41153(12) 0.0333(13) Uani 1 1 d . . . . .
O2 O 0.5928(3) 0.6388(2) 0.37666(11) 0.0303(12) Uani 1 1 d . . . . .
O3 O 0.4830(3) 0.5827(2) 0.41059(12) 0.0335(13) Uani 1 1 d . . . . .
O4 O 0.4301(3) 0.6396(2) 0.36284(12) 0.0344(13) Uani 1 1 d . . . . .
O5 O 0.5754(4) 0.7792(3) 0.42874(15) 0.0493(17) Uani 1 1 d . . . . .
O6 O 0.7246(4) 0.5719(2) 0.37956(13) 0.0388(14) Uani 1 1 d . . . . .
O7 O 0.4452(5) 0.5627(3) 0.46713(14) 0.0560(19) Uani 1 1 d . . . . .
O8 O 0.4089(3) 0.7786(2) 0.42044(13) 0.0373(13) Uani 1 1 d . . . . .
O9 O 0.5873(3) 0.7474(2) 0.37232(13) 0.0382(14) Uani 1 1 d . . . . .
O10 O 0.6820(3) 0.6365(2) 0.33320(12) 0.0355(13) Uani 1 1 d . . . . .
O11 O 0.5782(3) 0.5258(2) 0.37332(12) 0.0338(13) Uani 1 1 d . . . . .
O12 O 0.4046(4) 0.4991(3) 0.41976(16) 0.0523(18) Uani 1 1 d . . . . .
O13 O 0.3617(4) 0.6422(3) 0.44102(15) 0.0469(16) Uani 1 1 d . . . . .
O14 O 0.3165(4) 0.7048(2) 0.39443(14) 0.0420(15) Uani 1 1 d . . . . .
O15 O 0.4243(3) 0.7538(2) 0.36512(12) 0.0397(14) Uani 1 1 d D . . . .
O16 O 0.5434(4) 0.6878(3) 0.32390(14) 0.0519(18) Uani 1 1 d . . . . .
O17 O 0.5415(3) 0.5815(2) 0.32745(12) 0.0373(14) Uani 1 1 d D . . . .
O18 O 0.4150(4) 0.5240(3) 0.36290(15) 0.0509(17) Uani 1 1 d . . . . .
O19 O 0.3186(4) 0.5804(2) 0.39814(15) 0.0475(16) Uani 1 1 d D . . . .
O23 O 0.2776(4) 0.7367(3) 0.44983(14) 0.0474(16) Uani 1 1 d . . . . .
O24 O 0.5097(4) 0.8427(3) 0.38873(15) 0.0462(16) Uani 1 1 d . . . . .
O25 O 0.6840(4) 0.7460(3) 0.32327(15) 0.0511(17) Uani 1 1 d . . . . .
O26 O 0.6906(3) 0.5264(2) 0.32812(12) 0.0397(14) Uani 1 1 d . . . . .
O27 O 0.4894(4) 0.4339(3) 0.38255(18) 0.0565(19) Uani 1 1 d . . . . .
O28 O 0.2886(5) 0.5446(3) 0.45583(17) 0.066(2) Uani 1 1 d . . . . .
Mo7X Mo 0.34846(5) 0.71197(4) 0.35055(2) 0.0306(3) Uani 0.802(2) 1 d D . P A 1
Mo8X Mo 0.46551(6) 0.62445(4) 0.31405(2) 0.0320(3) Uani 0.802(2) 1 d D . P A 1
Mo9X Mo 0.32191(5) 0.57842(4) 0.35903(2) 0.0362(3) Uani 0.802(2) 1 d D . P A 1
O20X O 0.3888(4) 0.6889(3) 0.31612(11) 0.0327(16) Uani 0.802(2) 1 d D . P A 1
O21X O 0.2804(4) 0.6443(2) 0.35163(19) 0.0367(17) Uani 0.802(2) 1 d D . P A 1
O22X O 0.3828(6) 0.5826(3) 0.32062(16) 0.039(2) Uani 0.802(2) 1 d D . P A 1
O29X O 0.2745(4) 0.7543(3) 0.33971(16) 0.0413(18) Uani 0.802(2) 1 d D . P A 1
O30X O 0.4755(5) 0.6249(3) 0.27788(15) 0.0426(19) Uani 0.802(2) 1 d D . P A 1
O31X O 0.2459(4) 0.5367(3) 0.34937(19) 0.049(2) Uani 0.802(2) 1 d . . P A 1
Mo7Y Mo 0.4039(3) 0.7169(2) 0.33478(10) 0.0602(16) Uani 0.198(2) 1 d D U P A 2
Mo8Y Mo 0.4335(3) 0.5881(3) 0.32378(14) 0.068(2) Uani 0.198(2) 1 d D U P A 2
Mo9Y Mo 0.2871(3) 0.6319(2) 0.37259(13) 0.0635(16) Uani 0.198(2) 1 d D U P A 2
O20Y O 0.3037(6) 0.6959(10) 0.3460(7) 0.064(4) Uani 0.198(2) 1 d D U P A 2
O21Y O 0.410(2) 0.6497(8) 0.3076(8) 0.066(4) Uani 0.198(2) 1 d D U P A 2
O22Y O 0.309(2) 0.5934(18) 0.3408(10) 0.063(4) Uani 0.198(2) 1 d . U P A 2
O29Y O 0.393(2) 0.7667(11) 0.3101(6) 0.064(5) Uani 0.198(2) 1 d D U P A 2
O30Y O 0.408(2) 0.5494(14) 0.2955(6) 0.071(5) Uani 0.198(2) 1 d D U P A 2
O31Y O 0.1861(6) 0.6305(16) 0.3707(9) 0.065(5) Uani 0.198(2) 1 d D U P A 2
N1A N 0.4383(5) 0.7227(3) 0.46897(15) 0.0431(18) Uani 1 1 d . . . . .
N2A N 0.5354(5) 0.7103(4) 0.50043(16) 0.050(2) Uani 1 1 d . . . . .
N3A N 0.7357(4) 0.7012(3) 0.37541(16) 0.0385(17) Uani 1 1 d . . . . .
N4A N 0.8063(5) 0.6970(5) 0.4153(2) 0.067(3) Uani 1 1 d . . . . .
N5A N 0.5629(5) 0.4871(4) 0.42790(18) 0.053(2) Uani 1 1 d . . . . .
N6A N 0.6545(8) 0.4983(4) 0.4611(2) 0.077(3) Uani 1 1 d . U . . .
C1A C 0.4476(8) 0.7677(5) 0.4855(2) 0.066(3) Uani 1 1 d . . . . .
H1A H 0.416885 0.799352 0.483478 0.080 Uiso 1 1 calc R U . . .
C2A C 0.5070(8) 0.7605(5) 0.5050(3) 0.067(3) Uani 1 1 d . . . . .
H2A H 0.525159 0.785341 0.519051 0.081 Uiso 1 1 calc R U . . .
C3A C 0.4920(6) 0.6870(4) 0.47873(19) 0.045(2) Uani 1 1 d . . . . .
H3A H 0.498668 0.651673 0.471785 0.054 Uiso 1 1 calc R U . . .
C4A C 0.8141(5) 0.6869(4) 0.3690(2) 0.049(2) Uani 1 1 d . . . . .
H4A H 0.834341 0.680667 0.350134 0.058 Uiso 1 1 calc R U . . .
C5A C 0.8565(6) 0.6832(5) 0.3931(3) 0.062(3) Uani 1 1 d . . . . .
H5A H 0.911200 0.672961 0.394680 0.075 Uiso 1 1 calc R U . . .
C6A C 0.7345(6) 0.7072(5) 0.4037(2) 0.055(3) Uani 1 1 d . . . . .
H6A H 0.688566 0.717515 0.414447 0.066 Uiso 1 1 calc R U . . .
C7A C 0.5437(9) 0.4553(6) 0.4512(3) 0.088(4) Uani 1 1 d . U . . .
H7A H 0.499110 0.431967 0.452646 0.106 Uiso 1 1 calc R U . . .
C8A C 0.6011(10) 0.4638(6) 0.4717(3) 0.091(4) Uani 1 1 d . U . . .
H8A H 0.602727 0.447884 0.490294 0.109 Uiso 1 1 calc R U . . .
C9A C 0.6291(7) 0.5109(4) 0.4338(2) 0.049(2) Uani 1 1 d . . . . .
H9A H 0.656695 0.534039 0.421056 0.058 Uiso 1 1 calc R U . . .
C10A C 0.5996(7) 0.6838(5) 0.5169(2) 0.058(3) Uani 1 1 d . . . . .
H10A H 0.575365 0.656812 0.529773 0.070 Uiso 1 1 calc R U . . .
H10B H 0.626987 0.710471 0.529101 0.070 Uiso 1 1 calc R U . . .
C11A C 0.8281(7) 0.6995(7) 0.4459(3) 0.088(4) Uani 1 1 d . . . . .
H11A H 0.826211 0.736928 0.452613 0.106 Uiso 1 1 calc R U . . .
H11B H 0.883548 0.686249 0.448557 0.106 Uiso 1 1 calc R U . . .
C12A C 0.7266(9) 0.5197(5) 0.4752(3) 0.083(3) Uani 1 1 d . U . . .
H12A H 0.774505 0.509428 0.463931 0.100 Uiso 1 1 calc R U . . .
H12B H 0.731671 0.503898 0.494658 0.100 Uiso 1 1 calc R U . . .
C13A C 0.6615(7) 0.6567(5) 0.4976(2) 0.056(2) Uani 1 1 d . . . . .
C14A C 0.7160(7) 0.6894(5) 0.4819(2) 0.061(3) Uani 1 1 d . . . . .
H14A H 0.714265 0.727003 0.484075 0.073 Uiso 1 1 calc R U . . .
C15A C 0.7716(7) 0.6666(6) 0.4634(2) 0.073(3) Uani 1 1 d . . . . .
C16A C 0.7732(8) 0.6129(7) 0.4620(3) 0.083(3) Uani 1 1 d . . . . .
H16A H 0.810756 0.597015 0.449171 0.099 Uiso 1 1 calc R U . . .
C17A C 0.7238(10) 0.5789(6) 0.4778(3) 0.082(3) Uani 1 1 d . U . . .
C18A C 0.6643(8) 0.6026(5) 0.4952(2) 0.067(3) Uani 1 1 d . . . . .
H18A H 0.626452 0.581082 0.505051 0.080 Uiso 1 1 calc R U . . .
N1B N 0.0292(7) 0.6593(6) 0.4372(3) 0.095(4) Uani 1 1 d . . . . .
C1B C 0.1619(8) 0.6250(6) 0.4131(4) 0.085(4) Uani 1 1 d . . . . .
H1BA H 0.203849 0.622398 0.427799 0.128 Uiso 1 1 calc R U . . .
H1BB H 0.179848 0.648724 0.397601 0.128 Uiso 1 1 calc R U . . .
H1BC H 0.151223 0.589521 0.405106 0.128 Uiso 1 1 calc R U . . .
C2B C 0.0880(8) 0.6464(6) 0.4261(4) 0.087(5) Uani 1 1 d . . . . .
N1C N 0.0899(14) 0.5252(10) 0.5360(5) 0.178(8) Uani 1 1 d . U . . .
C1C C 0.0901(15) 0.5717(10) 0.4849(5) 0.156(9) Uani 1 1 d . U . . .
H1CA H 0.034743 0.575580 0.478061 0.235 Uiso 1 1 calc R U . . .
H1CB H 0.120315 0.549534 0.471356 0.235 Uiso 1 1 calc R U . . .
H1CC H 0.115155 0.606936 0.486197 0.235 Uiso 1 1 calc R U . . .
C2C C 0.0900(14) 0.5455(10) 0.5146(5) 0.142(8) Uani 1 1 d . U . . .
N1 N 0.7734(5) 0.3970(3) 0.3759(2) 0.055(2) Uani 1 1 d . . . . .
C111 C 0.8247(6) 0.3736(4) 0.3523(2) 0.050(2) Uani 1 1 d . . . . .
H11C H 0.880572 0.370944 0.359417 0.060 Uiso 1 1 calc R U . . .
H11D H 0.805751 0.337078 0.348204 0.060 Uiso 1 1 calc R U . . .
C112 C 0.8249(9) 0.4046(5) 0.3247(3) 0.073(3) Uani 1 1 d . U . . .
H11E H 0.769162 0.412677 0.318853 0.087 Uiso 1 1 calc R U . . .
H11F H 0.853710 0.438699 0.327491 0.087 Uiso 1 1 calc R U . . .
C113 C 0.8650(10) 0.3728(6) 0.3022(3) 0.086(3) Uani 1 1 d . U . . .
H11G H 0.835426 0.339009 0.299385 0.103 Uiso 1 1 calc R U . . .
H11H H 0.920109 0.363953 0.308499 0.103 Uiso 1 1 calc R U . . .
C114 C 0.8687(11) 0.4040(6) 0.2727(3) 0.100(4) Uani 1 1 d . U . . .
H11I H 0.895557 0.381960 0.258150 0.149 Uiso 1 1 calc R U . . .
H11J H 0.814164 0.412251 0.266208 0.149 Uiso 1 1 calc R U . . .
H11K H 0.898771 0.437173 0.275314 0.149 Uiso 1 1 calc R U . . .
C121 C 0.7866(8) 0.3624(4) 0.4023(3) 0.063(3) Uani 1 1 d . . . . .
H12C H 0.774421 0.325133 0.397031 0.075 Uiso 1 1 calc R U . . .
H12D H 0.844119 0.364095 0.407468 0.075 Uiso 1 1 calc R U . . .
C122 C 0.7390(9) 0.3760(5) 0.4284(3) 0.084(5) Uani 1 1 d . . . . .
H12E H 0.681885 0.367414 0.425042 0.100 Uiso 1 1 calc R U . . .
H12F H 0.743161 0.414731 0.432222 0.100 Uiso 1 1 calc R U . . .
C123 C 0.7715(12) 0.3430(8) 0.4565(4) 0.120(5) Uani 1 1 d . U . . .
H12G H 0.776238 0.304990 0.451083 0.145 Uiso 1 1 calc R U . . .
H12H H 0.826028 0.355910 0.461226 0.145 Uiso 1 1 calc R U . . .
C124 C 0.7209(13) 0.3468(8) 0.4830(4) 0.130(5) Uani 1 1 d . U . . .
H12I H 0.745277 0.325777 0.498442 0.196 Uiso 1 1 calc R U . . .
H12J H 0.717022 0.384107 0.489001 0.196 Uiso 1 1 calc R U . . .
H12K H 0.667096 0.333048 0.478831 0.196 Uiso 1 1 calc R U . . .
C131 C 0.7962(6) 0.4538(4) 0.3822(2) 0.051(2) Uani 1 1 d . . . . .
H13A H 0.782916 0.475681 0.365108 0.061 Uiso 1 1 calc R U . . .
H13B H 0.762761 0.466712 0.398374 0.061 Uiso 1 1 calc R U . . .
C132 C 0.8829(8) 0.4633(5) 0.3897(3) 0.067(3) Uani 1 1 d . . . . .
H13C H 0.896703 0.442110 0.407041 0.080 Uiso 1 1 calc R U . . .
H13D H 0.917049 0.450609 0.373663 0.080 Uiso 1 1 calc R U . . .
C133 C 0.9011(8) 0.5205(5) 0.3954(3) 0.084(4) Uani 1 1 d . U . . .
H13E H 0.880684 0.542114 0.379157 0.100 Uiso 1 1 calc R U . . .
H13F H 0.872059 0.531816 0.413012 0.100 Uiso 1 1 calc R U . . .
C134 C 0.9871(9) 0.5318(7) 0.3993(4) 0.103(4) Uani 1 1 d . U . . .
H13G H 0.994719 0.569858 0.402911 0.154 Uiso 1 1 calc R U . . .
H13H H 1.007657 0.511294 0.415663 0.154 Uiso 1 1 calc R U . . .
H13I H 1.016291 0.521604 0.381771 0.154 Uiso 1 1 calc R U . . .
C141 C 0.6843(7) 0.3965(5) 0.3663(4) 0.095(5) Uani 1 1 d . . . . .
H14B H 0.650729 0.408272 0.382698 0.113 Uiso 1 1 calc R U . . .
H14C H 0.677404 0.422740 0.350583 0.113 Uiso 1 1 calc R U . . .
C142 C 0.6530(11) 0.3418(8) 0.3557(5) 0.118(6) Uani 1 1 d . U . . .
H14D H 0.694001 0.325382 0.343128 0.142 Uiso 1 1 calc R U . . .
H14E H 0.645394 0.318207 0.372582 0.142 Uiso 1 1 calc R U . . .
C143 C 0.5743(13) 0.3456(7) 0.3392(4) 0.125(5) Uani 1 1 d . U . . .
H14F H 0.533743 0.363385 0.351455 0.149 Uiso 1 1 calc R U . . .
H14G H 0.582356 0.367704 0.321809 0.149 Uiso 1 1 calc R U . . .
C144 C 0.5443(14) 0.2938(8) 0.3307(4) 0.134(6) Uani 1 1 d . U . . .
H14H H 0.493788 0.298191 0.320148 0.201 Uiso 1 1 calc R U . . .
H14I H 0.583764 0.276324 0.318207 0.201 Uiso 1 1 calc R U . . .
H14J H 0.535155 0.272006 0.347852 0.201 Uiso 1 1 calc R U . . .
N2 N 0.7057(5) 0.6195(4) 0.24309(19) 0.063(3) Uani 1 1 d . . . . .
C211 C 0.6940(8) 0.6762(6) 0.2529(3) 0.076(4) Uani 1 1 d . . . . .
H21A H 0.697786 0.677361 0.274191 0.092 Uiso 1 1 calc R U . . .
H21B H 0.639342 0.687853 0.247496 0.092 Uiso 1 1 calc R U . . .
C212 C 0.7550(9) 0.7158(5) 0.2402(3) 0.083(4) Uani 1 1 d . . . . .
H21C H 0.759179 0.711195 0.219103 0.100 Uiso 1 1 calc R U . . .
H21D H 0.808584 0.710202 0.248877 0.100 Uiso 1 1 calc R U . . .
C213 C 0.7224(12) 0.7730(7) 0.2478(5) 0.129(5) Uani 1 1 d . U . . .
H21E H 0.669432 0.778555 0.238647 0.155 Uiso 1 1 calc R U . . .
H21F H 0.716160 0.776683 0.268884 0.155 Uiso 1 1 calc R U . . .
C214 C 0.7831(12) 0.8146(7) 0.2364(5) 0.132(6) Uani 1 1 d . U . . .
H21G H 0.763699 0.850451 0.240937 0.197 Uiso 1 1 calc R U . . .
H21H H 0.835249 0.808892 0.245637 0.197 Uiso 1 1 calc R U . . .
H21I H 0.788676 0.810758 0.215499 0.197 Uiso 1 1 calc R U . . .
C221 C 0.7897(6) 0.6009(6) 0.2487(2) 0.065(3) Uani 1 1 d . U . . .
H22A H 0.827176 0.623962 0.237837 0.078 Uiso 1 1 calc R U . . .
H22B H 0.795456 0.564258 0.241043 0.078 Uiso 1 1 calc R U . . .
C222 C 0.8147(7) 0.6009(7) 0.2807(3) 0.081(3) Uani 1 1 d . U . . .
H22C H 0.769987 0.587294 0.292653 0.097 Uiso 1 1 calc R U . . .
H22D H 0.826805 0.637699 0.286921 0.097 Uiso 1 1 calc R U . . .
C223 C 0.8899(9) 0.5652(8) 0.2850(3) 0.102(4) Uani 1 1 d . U . . .
H22E H 0.880069 0.529510 0.276597 0.122 Uiso 1 1 calc R U . . .
H22F H 0.936440 0.581162 0.274930 0.122 Uiso 1 1 calc R U . . .
C224 C 0.9073(11) 0.5602(8) 0.3157(3) 0.117(5) Uani 1 1 d . U . . .
H22G H 0.954766 0.537659 0.318370 0.176 Uiso 1 1 calc R U . . .
H22H H 0.917600 0.595513 0.323849 0.176 Uiso 1 1 calc R U . . .
H22I H 0.861362 0.543984 0.325511 0.176 Uiso 1 1 calc R U . . .
C231 C 0.6465(7) 0.5863(5) 0.2583(3) 0.067(3) Uani 1 1 d . . . . .
H23A H 0.592571 0.595692 0.250947 0.081 Uiso 1 1 calc R U . . .
H23B H 0.647990 0.595833 0.278946 0.081 Uiso 1 1 calc R U . . .
C232 C 0.6564(7) 0.5263(5) 0.2558(3) 0.067(3) Uani 1 1 d . . . . .
H23C H 0.704428 0.515025 0.266768 0.081 Uiso 1 1 calc R U . . .
H23D H 0.664522 0.516478 0.235368 0.081 Uiso 1 1 calc R U . . .
C233 C 0.5803(7) 0.4964(6) 0.2679(2) 0.071(3) Uani 1 1 d . . . . .
H23E H 0.565395 0.511342 0.286907 0.085 Uiso 1 1 calc R U . . .
H23F H 0.534515 0.501410 0.254600 0.085 Uiso 1 1 calc R U . . .
C234 C 0.5990(11) 0.4382(6) 0.2708(4) 0.107(6) Uani 1 1 d . . . . .
H23G H 0.551872 0.419461 0.278349 0.160 Uiso 1 1 calc R U . . .
H23H H 0.613280 0.423583 0.251939 0.160 Uiso 1 1 calc R U . . .
H23I H 0.644078 0.433489 0.284160 0.160 Uiso 1 1 calc R U . . .
C241 C 0.6919(8) 0.6159(7) 0.2105(3) 0.088(4) Uani 1 1 d . U . . .
H24A H 0.737889 0.633071 0.200752 0.105 Uiso 1 1 calc R U . . .
H24B H 0.692448 0.577784 0.205043 0.105 Uiso 1 1 calc R U . . .
C242 C 0.6180(8) 0.6397(8) 0.1993(3) 0.099(4) Uani 1 1 d . U . . .
H24C H 0.623196 0.678832 0.200756 0.119 Uiso 1 1 calc R U . . .
H24D H 0.573371 0.628914 0.212125 0.119 Uiso 1 1 calc R U . . .
C243 C 0.5952(10) 0.6264(8) 0.1693(4) 0.112(4) Uani 1 1 d . U . . .
H24E H 0.571063 0.590359 0.169059 0.135 Uiso 1 1 calc R U . . .
H24F H 0.644344 0.625161 0.157346 0.135 Uiso 1 1 calc R U . . .
C244 C 0.5358(11) 0.6657(9) 0.1555(4) 0.129(5) Uani 1 1 d . U . . .
H24G H 0.523649 0.654248 0.135774 0.194 Uiso 1 1 calc R U . . .
H24H H 0.486174 0.666465 0.166827 0.194 Uiso 1 1 calc R U . . .
H24I H 0.559570 0.701322 0.155095 0.194 Uiso 1 1 calc R U . . .
N3 N 0.2521(6) 0.8853(4) 0.3784(2) 0.065(3) Uani 1 1 d . . . . .
C311 C 0.2170(8) 0.8335(5) 0.3887(3) 0.069(3) Uani 1 1 d . . . . .
H31A H 0.254488 0.817718 0.402839 0.083 Uiso 1 1 calc R U . . .
H31B H 0.214037 0.808881 0.372061 0.083 Uiso 1 1 calc R U . . .
C312 C 0.1331(9) 0.8364(7) 0.4027(3) 0.090(5) Uani 1 1 d . . . . .
H31C H 0.138194 0.853759 0.421737 0.107 Uiso 1 1 calc R U . . .
H31D H 0.098348 0.859193 0.390574 0.107 Uiso 1 1 calc R U . . .
C313 C 0.0924(10) 0.7834(7) 0.4067(3) 0.095(5) Uani 1 1 d . . . . .
H31E H 0.121020 0.762656 0.421652 0.114 Uiso 1 1 calc R U . . .
H31F H 0.094662 0.762997 0.388442 0.114 Uiso 1 1 calc R U . . .
C314 C 0.0056(10) 0.7908(9) 0.4156(4) 0.134(8) Uani 1 1 d . . . . .
H31G H -0.019783 0.755910 0.418107 0.202 Uiso 1 1 calc R U . . .
H31H H 0.003360 0.810487 0.433831 0.202 Uiso 1 1 calc R U . . .
H31I H -0.022962 0.810828 0.400666 0.202 Uiso 1 1 calc R U . . .
C321 C 0.2636(7) 0.9223(5) 0.4040(3) 0.066(3) Uani 1 1 d . . . . .
H32A H 0.210503 0.930148 0.412577 0.079 Uiso 1 1 calc R U . . .
H32B H 0.286498 0.956378 0.397110 0.079 Uiso 1 1 calc R U . . .
C322 C 0.3182(8) 0.8997(6) 0.4274(3) 0.082(4) Uani 1 1 d . . . . .
H32C H 0.291582 0.868886 0.436638 0.098 Uiso 1 1 calc R U . . .
H32D H 0.368685 0.887044 0.418550 0.098 Uiso 1 1 calc R U . . .
C323 C 0.3368(10) 0.9402(6) 0.4496(3) 0.094(5) Uani 1 1 d . . . . .
H32E H 0.362872 0.971229 0.440349 0.113 Uiso 1 1 calc R U . . .
H32F H 0.286406 0.952536 0.458655 0.113 Uiso 1 1 calc R U . . .
C324 C 0.3901(10) 0.9182(7) 0.4717(3) 0.098(5) Uani 1 1 d . . . . .
H32G H 0.401624 0.945572 0.486150 0.148 Uiso 1 1 calc R U . . .
H32H H 0.363888 0.887769 0.481025 0.148 Uiso 1 1 calc R U . . .
H32I H 0.440251 0.906437 0.462744 0.148 Uiso 1 1 calc R U . . .
C331 C 0.3304(7) 0.8715(5) 0.3632(3) 0.069(3) Uani 1 1 d . U . . .
H33A H 0.318069 0.851621 0.345336 0.082 Uiso 1 1 calc R U . . .
H33B H 0.362183 0.847719 0.375860 0.082 Uiso 1 1 calc R U . . .
C332 C 0.3810(9) 0.9201(6) 0.3556(4) 0.089(3) Uani 1 1 d . U . . .
H33C H 0.345146 0.948718 0.348558 0.107 Uiso 1 1 calc R U . . .
H33D H 0.407728 0.933259 0.373286 0.107 Uiso 1 1 calc R U . . .
C333 C 0.4415(11) 0.9096(8) 0.3339(4) 0.120(4) Uani 1 1 d D U . . .
H33E H 0.464646 0.873909 0.337506 0.144 Uiso 1 1 calc R U . . .
H33F H 0.485229 0.935956 0.336079 0.144 Uiso 1 1 calc R U . . .
C334 C 0.4113(13) 0.9116(9) 0.3031(4) 0.146(6) Uani 1 1 d D U . . .
H33G H 0.455657 0.904064 0.289829 0.219 Uiso 1 1 calc R U . . .
H33H H 0.369018 0.884918 0.300440 0.219 Uiso 1 1 calc R U . . .
H33I H 0.389639 0.947078 0.299010 0.219 Uiso 1 1 calc R U . . .
C341 C 0.1946(8) 0.9145(5) 0.3578(3) 0.064(3) Uani 1 1 d . . . . .
H34A H 0.221981 0.946523 0.350187 0.077 Uiso 1 1 calc R U . . .
H34B H 0.147307 0.926618 0.368893 0.077 Uiso 1 1 calc R U . . .
C342 C 0.1655(8) 0.8803(5) 0.3321(3) 0.076(4) Uani 1 1 d . . . . .
H34C H 0.131177 0.850979 0.339249 0.091 Uiso 1 1 calc R U . . .
H34D H 0.212183 0.864509 0.322104 0.091 Uiso 1 1 calc R U . . .
C343 C 0.1174(8) 0.9156(6) 0.3109(3) 0.082(4) Uani 1 1 d . . . . .
H34E H 0.091055 0.891994 0.296671 0.098 Uiso 1 1 calc R U . . .
H34F H 0.074431 0.933754 0.321872 0.098 Uiso 1 1 calc R U . . .
C344 C 0.1630(11) 0.9560(5) 0.2952(3) 0.099(5) Uani 1 1 d . . . . .
H34G H 0.126882 0.975821 0.282460 0.148 Uiso 1 1 calc R U . . .
H34H H 0.188047 0.980518 0.308914 0.148 Uiso 1 1 calc R U . . .
H34I H 0.204724 0.938625 0.283633 0.148 Uiso 1 1 calc R U . . .
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'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 '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
O23 Mo1 O14 103.8(3) . . ?
O23 Mo1 O13 103.2(3) . . ?
O14 Mo1 O13 98.5(3) . . ?
O23 Mo1 O8 100.5(3) . . ?
O14 Mo1 O8 92.5(3) . . ?
O13 Mo1 O8 150.5(3) . . ?
O23 Mo1 N1A 90.7(3) . . ?
O14 Mo1 N1A 164.7(3) . . ?
O13 Mo1 N1A 82.3(3) . . ?
O8 Mo1 N1A 80.2(3) . . ?
O23 Mo1 O1 166.5(3) . . ?
O14 Mo1 O1 87.7(2) . . ?
O13 Mo1 O1 81.5(2) . . ?
O8 Mo1 O1 71.7(2) . . ?
N1A Mo1 O1 77.3(2) . . ?
O24 Mo2 O5 103.8(3) . . ?
O24 Mo2 O8 98.2(3) . . ?
O5 Mo2 O8 100.1(3) . . ?
O24 Mo2 O9 100.2(3) . . ?
O5 Mo2 O9 95.9(3) . . ?
O8 Mo2 O9 151.9(2) . . ?
O24 Mo2 O1 166.7(3) . . ?
O5 Mo2 O1 87.7(3) . . ?
O8 Mo2 O1 72.9(2) . . ?
O9 Mo2 O1 85.0(2) . . ?
O24 Mo2 O15 91.8(3) . . ?
O5 Mo2 O15 164.4(3) . . ?
O8 Mo2 O15 78.0(2) . . ?
O9 Mo2 O15 80.4(2) . . ?
O1 Mo2 O15 77.0(2) . . ?
O25 Mo3 O16 104.3(3) . . ?
O25 Mo3 O9 103.2(3) . . ?
O16 Mo3 O9 100.1(3) . . ?
O25 Mo3 O10 99.4(3) . . ?
O16 Mo3 O10 91.4(3) . . ?
O9 Mo3 O10 151.1(2) . . ?
O25 Mo3 N3A 89.1(3) . . ?
O16 Mo3 N3A 165.0(3) . . ?
O9 Mo3 N3A 83.0(3) . . ?
O10 Mo3 N3A 79.6(3) . . ?
O25 Mo3 O2 165.4(3) . . ?
O16 Mo3 O2 88.1(3) . . ?
O9 Mo3 O2 81.9(2) . . ?
O10 Mo3 O2 72.0(2) . . ?
N3A Mo3 O2 77.8(2) . . ?
O26 Mo4 O6 104.1(3) . . ?
O26 Mo4 O10 100.0(3) . . ?
O6 Mo4 O10 99.7(3) . . ?
O26 Mo4 O11 99.8(3) . . ?
O6 Mo4 O11 94.6(3) . . ?
O10 Mo4 O11 151.9(2) . . ?
O26 Mo4 O17 92.0(3) . . ?
O6 Mo4 O17 163.1(2) . . ?
O10 Mo4 O17 82.3(2) . . ?
O11 Mo4 O17 77.2(2) . . ?
O26 Mo4 O2 168.2(3) . . ?
O6 Mo4 O2 86.5(2) . . ?
O10 Mo4 O2 72.8(2) . . ?
O11 Mo4 O2 84.2(2) . . ?
O17 Mo4 O2 78.0(2) . . ?
O27 Mo5 O18 103.9(4) . . ?
O27 Mo5 O11 103.2(3) . . ?
O18 Mo5 O11 98.7(3) . . ?
O27 Mo5 O12 99.4(3) . . ?
O18 Mo5 O12 93.4(3) . . ?
O11 Mo5 O12 150.8(3) . . ?
O27 Mo5 N5A 88.9(4) . . ?
O18 Mo5 N5A 166.4(3) . . ?
O11 Mo5 N5A 82.8(3) . . ?
O12 Mo5 N5A 79.5(3) . . ?
O27 Mo5 O3 165.2(3) . . ?
O18 Mo5 O3 88.8(3) . . ?
O11 Mo5 O3 81.9(2) . . ?
O12 Mo5 O3 71.9(2) . . ?
N5A Mo5 O3 77.9(3) . . ?
O7 Mo6 O28 103.7(4) . . ?
O7 Mo6 O12 100.1(3) . . ?
O28 Mo6 O12 100.1(3) . . ?
O7 Mo6 O13 94.5(3) . . ?
O28 Mo6 O13 99.2(3) . . ?
O12 Mo6 O13 152.2(3) . . ?
O7 Mo6 O19 162.1(3) . . ?
O28 Mo6 O19 93.6(3) . . ?
O12 Mo6 O19 81.3(3) . . ?
O13 Mo6 O19 77.8(3) . . ?
O7 Mo6 O3 85.6(3) . . ?
O28 Mo6 O3 169.4(3) . . ?
O12 Mo6 O3 72.7(2) . . ?
O13 Mo6 O3 85.0(2) . . ?
O19 Mo6 O3 77.7(2) . . ?
O3 V1 O1 110.7(3) . . ?
O3 V1 O2 110.8(3) . . ?
O1 V1 O2 111.4(3) . . ?
O3 V1 O4 108.2(3) . . ?
O1 V1 O4 107.8(3) . . ?
O2 V1 O4 107.7(3) . . ?
V1 O1 Mo2 127.4(3) . . ?
V1 O1 Mo1 122.1(3) . . ?
Mo2 O1 Mo1 94.1(2) . . ?
V1 O2 Mo4 127.3(3) . . ?
V1 O2 Mo3 121.2(3) . . ?
Mo4 O2 Mo3 94.38(19) . . ?
V1 O3 Mo6 127.4(3) . . ?
V1 O3 Mo5 121.5(3) . . ?
Mo6 O3 Mo5 94.2(2) . . ?
V1 O4 Mo8Y 126.1(3) . . ?
V1 O4 Mo7X 125.2(3) . . ?
V1 O4 Mo8X 123.7(3) . . ?
Mo7X O4 Mo8X 92.1(2) . . ?
V1 O4 Mo9X 123.0(3) . . ?
Mo7X O4 Mo9X 92.46(19) . . ?
Mo8X O4 Mo9X 90.8(2) . . ?
V1 O4 Mo7Y 123.0(3) . . ?
Mo8Y O4 Mo7Y 91.9(3) . . ?
V1 O4 Mo9Y 120.1(3) . . ?
Mo8Y O4 Mo9Y 97.5(3) . . ?
Mo7Y O4 Mo9Y 89.2(3) . . ?
Mo1 O8 Mo2 120.8(3) . . ?
Mo3 O9 Mo2 161.3(3) . . ?
Mo4 O10 Mo3 120.2(3) . . ?
Mo5 O11 Mo4 161.6(3) . . ?
Mo6 O12 Mo5 120.5(3) . . ?
Mo1 O13 Mo6 162.2(4) . . ?
Mo1 O14 Mo7X 141.7(3) . . ?
Mo1 O14 Mo9Y 128.2(4) . . ?
Mo7Y O15 Mo2 149.7(3) . . ?
Mo7X O15 Mo2 152.9(3) . . ?
Mo3 O16 Mo8X 141.5(4) . . ?
Mo3 O16 Mo7Y 126.4(4) . . ?
Mo8X O17 Mo4 148.8(3) . . ?
Mo8Y O17 Mo4 153.9(3) . . ?
Mo5 O18 Mo9X 139.9(4) . . ?
Mo5 O18 Mo8Y 130.6(3) . . ?
Mo9X O19 Mo6 149.1(3) . . ?
Mo9Y O19 Mo6 145.9(4) . . ?
O29X Mo7X O15 105.0(3) . . ?
O29X Mo7X O20X 101.9(3) . . ?
O15 Mo7X O20X 105.0(3) . . ?
O29X Mo7X O21X 97.1(3) . . ?
O15 Mo7X O21X 151.3(3) . . ?
O20X Mo7X O21X 87.8(3) . . ?
O29X Mo7X O14 98.9(3) . . ?
O15 Mo7X O14 82.1(2) . . ?
O20X Mo7X O14 155.2(3) . . ?
O21X Mo7X O14 76.4(3) . . ?
O29X Mo7X O4 167.6(3) . . ?
O15 Mo7X O4 87.3(2) . . ?
O20X Mo7X O4 75.7(3) . . ?
O21X Mo7X O4 70.8(2) . . ?
O14 Mo7X O4 81.1(2) . . ?
O30X Mo8X O22X 104.7(4) . . ?
O30X Mo8X O17 106.4(3) . . ?
O22X Mo8X O17 97.8(3) . . ?
O30X Mo8X O20X 95.9(3) . . ?
O22X Mo8X O20X 88.5(3) . . ?
O17 Mo8X O20X 154.4(2) . . ?
O30X Mo8X O16 98.7(3) . . ?
O22X Mo8X O16 153.8(3) . . ?
O17 Mo8X O16 86.7(3) . . ?
O20X Mo8X O16 77.3(3) . . ?
O30X Mo8X O4 166.9(3) . . ?
O22X Mo8X O4 74.6(3) . . ?
O17 Mo8X O4 86.6(2) . . ?
O20X Mo8X O4 71.1(2) . . ?
O16 Mo8X O4 79.9(2) . . ?
O31X Mo9X O19 104.9(4) . . ?
O31X Mo9X O21X 103.0(4) . . ?
O19 Mo9X O21X 98.7(3) . . ?
O31X Mo9X O22X 99.8(4) . . ?
O19 Mo9X O22X 151.7(3) . . ?
O21X Mo9X O22X 88.7(3) . . ?
O31X Mo9X O18 100.0(3) . . ?
O19 Mo9X O18 87.4(3) . . ?
O21X Mo9X O18 153.7(3) . . ?
O22X Mo9X O18 74.9(3) . . ?
O31X Mo9X O4 169.0(3) . . ?
O19 Mo9X O4 86.0(2) . . ?
O21X Mo9X O4 73.5(3) . . ?
O22X Mo9X O4 69.9(3) . . ?
O18 Mo9X O4 81.5(2) . . ?
Mo7X O20X Mo8X 121.2(3) . . ?
Mo9X O21X Mo7X 123.2(3) . . ?
Mo8X O22X Mo9X 124.6(5) . . ?
O29Y Mo7Y O15 100.1(13) . . ?
O29Y Mo7Y O20Y 107.6(14) . . ?
O15 Mo7Y O20Y 95.9(13) . . ?
O29Y Mo7Y O21Y 101.1(15) . . ?
O15 Mo7Y O21Y 155.6(7) . . ?
O20Y Mo7Y O21Y 89.1(17) . . ?
O29Y Mo7Y O4 170.5(13) . . ?
O15 Mo7Y O4 87.5(3) . . ?
O20Y Mo7Y O4 77.1(5) . . ?
O21Y Mo7Y O4 70.4(6) . . ?
O29Y Mo7Y O16 100.4(14) . . ?
O15 Mo7Y O16 98.0(3) . . ?
O20Y Mo7Y O16 145.9(8) . . ?
O21Y Mo7Y O16 66.3(11) . . ?
O4 Mo7Y O16 72.6(2) . . ?
O30Y Mo8Y O21Y 96.9(19) . . ?
O30Y Mo8Y O17 105.5(15) . . ?
O21Y Mo8Y O17 109.9(14) . . ?
O30Y Mo8Y O22Y 94.5(18) . . ?
O21Y Mo8Y O22Y 83.8(19) . . ?
O17 Mo8Y O22Y 153.8(12) . . ?
O30Y Mo8Y O4 164.1(15) . . ?
O21Y Mo8Y O4 80.3(13) . . ?
O17 Mo8Y O4 90.1(3) . . ?
O22Y Mo8Y O4 69.7(10) . . ?
O30Y Mo8Y O18 99.6(16) . . ?
O21Y Mo8Y O18 149.9(14) . . ?
O17 Mo8Y O18 89.7(3) . . ?
O22Y Mo8Y O18 70.0(13) . . ?
O4 Mo8Y O18 77.0(3) . . ?
O31Y Mo9Y O22Y 98.6(18) . . ?
O31Y Mo9Y O19 107.8(15) . . ?
O22Y Mo9Y O19 95.3(15) . . ?
O31Y Mo9Y O20Y 96.9(15) . . ?
O22Y Mo9Y O20Y 84(2) . . ?
O19 Mo9Y O20Y 155.1(5) . . ?
O31Y Mo9Y O14 105.6(14) . . ?
O22Y Mo9Y O14 142.9(15) . . ?
O19 Mo9Y O14 103.3(4) . . ?
O20Y Mo9Y O14 65.4(12) . . ?
O31Y Mo9Y O4 165.9(15) . . ?
O22Y Mo9Y O4 72.1(12) . . ?
O19 Mo9Y O4 84.0(3) . . ?
O20Y Mo9Y O4 72.2(4) . . ?
O14 Mo9Y O4 78.3(3) . . ?
Mo7Y O20Y Mo9Y 121.4(7) . . ?
Mo8Y O21Y Mo7Y 117.4(18) . . ?
Mo9Y O22Y Mo8Y 120.8(18) . . ?
C3A N1A C1A 106.6(9) . . ?
C3A N1A Mo1 126.6(6) . . ?
C1A N1A Mo1 126.6(7) . . ?
C2A N2A C3A 109.1(9) . . ?
C2A N2A C10A 126.1(9) . . ?
C3A N2A C10A 124.8(9) . . ?
C6A N3A C4A 104.9(8) . . ?
C6A N3A Mo3 128.2(6) . . ?
C4A N3A Mo3 126.5(6) . . ?
C6A N4A C5A 107.0(9) . . ?
C6A N4A C11A 127.1(9) . . ?
C5A N4A C11A 125.9(9) . . ?
C9A N5A C7A 107.4(11) . . ?
C9A N5A Mo5 127.5(7) . . ?
C7A N5A Mo5 124.8(10) . . ?
C8A N6A C9A 106.5(12) . . ?
C8A N6A C12A 128.2(11) . . ?
C9A N6A C12A 125.4(13) . . ?
C2A C1A N1A 110.2(10) . . ?
C2A C1A H1A 124.9 . . ?
N1A C1A H1A 124.9 . . ?
C1A C2A N2A 105.8(10) . . ?
C1A C2A H2A 127.1 . . ?
N2A C2A H2A 127.1 . . ?
N1A C3A N2A 108.3(9) . . ?
N1A C3A H3A 125.9 . . ?
N2A C3A H3A 125.9 . . ?
C5A C4A N3A 109.8(9) . . ?
C5A C4A H4A 125.1 . . ?
N3A C4A H4A 125.1 . . ?
C4A C5A N4A 106.9(9) . . ?
C4A C5A H5A 126.6 . . ?
N4A C5A H5A 126.6 . . ?
N3A C6A N4A 111.4(9) . . ?
N3A C6A H6A 124.3 . . ?
N4A C6A H6A 124.3 . . ?
C8A C7A N5A 107.1(14) . . ?
C8A C7A H7A 126.5 . . ?
N5A C7A H7A 126.5 . . ?
N6A C8A C7A 108.1(11) . . ?
N6A C8A H8A 126.0 . . ?
C7A C8A H8A 126.0 . . ?
N5A C9A N6A 110.9(11) . . ?
N5A C9A H9A 124.6 . . ?
N6A C9A H9A 124.6 . . ?
N2A C10A C13A 112.9(8) . . ?
N2A C10A H10A 109.0 . . ?
C13A C10A H10A 109.0 . . ?
N2A C10A H10B 109.0 . . ?
C13A C10A H10B 109.0 . . ?
H10A C10A H10B 107.8 . . ?
N4A C11A C15A 110.2(10) . . ?
N4A C11A H11A 109.6 . . ?
C15A C11A H11A 109.6 . . ?
N4A C11A H11B 109.6 . . ?
C15A C11A H11B 109.6 . . ?
H11A C11A H11B 108.1 . . ?
N6A C12A C17A 112.1(10) . . ?
N6A C12A H12A 109.2 . . ?
C17A C12A H12A 109.2 . . ?
N6A C12A H12B 109.2 . . ?
C17A C12A H12B 109.2 . . ?
H12A C12A H12B 107.9 . . ?
C18A C13A C14A 120.6(11) . . ?
C18A C13A C10A 121.1(12) . . ?
C14A C13A C10A 118.3(11) . . ?
C15A C14A C13A 120.3(13) . . ?
C15A C14A H14A 119.9 . . ?
C13A C14A H14A 119.9 . . ?
C16A C15A C14A 117.2(14) . . ?
C16A C15A C11A 120.9(13) . . ?
C14A C15A C11A 121.9(14) . . ?
C15A C16A C17A 124.8(12) . . ?
C15A C16A H16A 117.6 . . ?
C17A C16A H16A 117.6 . . ?
C16A C17A C18A 117.3(13) . . ?
C16A C17A C12A 123.2(13) . . ?
C18A C17A C12A 119.3(16) . . ?
C13A C18A C17A 119.5(14) . . ?
C13A C18A H18A 120.2 . . ?
C17A C18A H18A 120.2 . . ?
C2B C1B H1BA 109.5 . . ?
C2B C1B H1BB 109.5 . . ?
H1BA C1B H1BB 109.5 . . ?
C2B C1B H1BC 109.5 . . ?
H1BA C1B H1BC 109.5 . . ?
H1BB C1B H1BC 109.5 . . ?
N1B C2B C1B 174.8(19) . . ?
C2C C1C H1CA 109.5 . . ?
C2C C1C H1CB 109.5 . . ?
H1CA C1C H1CB 109.5 . . ?
C2C C1C H1CC 109.5 . . ?
H1CA C1C H1CC 109.5 . . ?
H1CB C1C H1CC 109.5 . . ?
N1C C2C C1C 178(3) . . ?
C131 N1 C111 111.4(8) . . ?
C131 N1 C121 110.4(9) . . ?
C111 N1 C121 106.4(8) . . ?
C131 N1 C141 107.8(8) . . ?
C111 N1 C141 109.4(10) . . ?
C121 N1 C141 111.5(10) . . ?
C112 C111 N1 114.8(9) . . ?
C112 C111 H11C 108.6 . . ?
N1 C111 H11C 108.6 . . ?
C112 C111 H11D 108.6 . . ?
N1 C111 H11D 108.6 . . ?
H11C C111 H11D 107.5 . . ?
C113 C112 C111 109.0(11) . . ?
C113 C112 H11E 109.9 . . ?
C111 C112 H11E 109.9 . . ?
C113 C112 H11F 109.9 . . ?
C111 C112 H11F 109.9 . . ?
H11E C112 H11F 108.3 . . ?
C112 C113 C114 111.3(12) . . ?
C112 C113 H11G 109.4 . . ?
C114 C113 H11G 109.4 . . ?
C112 C113 H11H 109.4 . . ?
C114 C113 H11H 109.4 . . ?
H11G C113 H11H 108.0 . . ?
C113 C114 H11I 109.5 . . ?
C113 C114 H11J 109.5 . . ?
H11I C114 H11J 109.5 . . ?
C113 C114 H11K 109.5 . . ?
H11I C114 H11K 109.5 . . ?
H11J C114 H11K 109.5 . . ?
C122 C121 N1 116.7(9) . . ?
C122 C121 H12C 108.1 . . ?
N1 C121 H12C 108.1 . . ?
C122 C121 H12D 108.1 . . ?
N1 C121 H12D 108.1 . . ?
H12C C121 H12D 107.3 . . ?
C121 C122 C123 110.8(11) . . ?
C121 C122 H12E 109.5 . . ?
C123 C122 H12E 109.5 . . ?
C121 C122 H12F 109.5 . . ?
C123 C122 H12F 109.5 . . ?
H12E C122 H12F 108.1 . . ?
C124 C123 C122 115.8(15) . . ?
C124 C123 H12G 108.3 . . ?
C122 C123 H12G 108.3 . . ?
C124 C123 H12H 108.3 . . ?
C122 C123 H12H 108.3 . . ?
H12G C123 H12H 107.4 . . ?
C123 C124 H12I 109.5 . . ?
C123 C124 H12J 109.5 . . ?
H12I C124 H12J 109.5 . . ?
C123 C124 H12K 109.5 . . ?
H12I C124 H12K 109.5 . . ?
H12J C124 H12K 109.5 . . ?
C132 C131 N1 115.9(8) . . ?
C132 C131 H13A 108.3 . . ?
N1 C131 H13A 108.3 . . ?
C132 C131 H13B 108.3 . . ?
N1 C131 H13B 108.3 . . ?
H13A C131 H13B 107.4 . . ?
C133 C132 C131 112.8(10) . . ?
C133 C132 H13C 109.0 . . ?
C131 C132 H13C 109.0 . . ?
C133 C132 H13D 109.0 . . ?
C131 C132 H13D 109.0 . . ?
H13C C132 H13D 107.8 . . ?
C134 C133 C132 113.8(11) . . ?
C134 C133 H13E 108.8 . . ?
C132 C133 H13E 108.8 . . ?
C134 C133 H13F 108.8 . . ?
C132 C133 H13F 108.8 . . ?
H13E C133 H13F 107.7 . . ?
C133 C134 H13G 109.5 . . ?
C133 C134 H13H 109.5 . . ?
H13G C134 H13H 109.5 . . ?
C133 C134 H13I 109.5 . . ?
H13G C134 H13I 109.5 . . ?
H13H C134 H13I 109.5 . . ?
C142 C141 N1 114.9(12) . . ?
C142 C141 H14B 108.5 . . ?
N1 C141 H14B 108.5 . . ?
C142 C141 H14C 108.5 . . ?
N1 C141 H14C 108.5 . . ?
H14B C141 H14C 107.5 . . ?
C143 C142 C141 113.3(15) . . ?
C143 C142 H14D 108.9 . . ?
C141 C142 H14D 108.9 . . ?
C143 C142 H14E 108.9 . . ?
C141 C142 H14E 108.9 . . ?
H14D C142 H14E 107.7 . . ?
C144 C143 C142 112.3(18) . . ?
C144 C143 H14F 109.1 . . ?
C142 C143 H14F 109.1 . . ?
C144 C143 H14G 109.1 . . ?
C142 C143 H14G 109.1 . . ?
H14F C143 H14G 107.9 . . ?
C143 C144 H14H 109.5 . . ?
C143 C144 H14I 109.5 . . ?
H14H C144 H14I 109.5 . . ?
C143 C144 H14J 109.5 . . ?
H14H C144 H14J 109.5 . . ?
H14I C144 H14J 109.5 . . ?
C231 N2 C221 111.5(9) . . ?
C231 N2 C211 107.8(9) . . ?
C221 N2 C211 111.3(10) . . ?
C231 N2 C241 109.7(11) . . ?
C221 N2 C241 107.0(8) . . ?
C211 N2 C241 109.6(10) . . ?
N2 C211 C212 114.2(11) . . ?
N2 C211 H21A 108.7 . . ?
C212 C211 H21A 108.7 . . ?
N2 C211 H21B 108.7 . . ?
C212 C211 H21B 108.7 . . ?
H21A C211 H21B 107.6 . . ?
C211 C212 C213 106.1(12) . . ?
C211 C212 H21C 110.5 . . ?
C213 C212 H21C 110.5 . . ?
C211 C212 H21D 110.5 . . ?
C213 C212 H21D 110.5 . . ?
H21C C212 H21D 108.7 . . ?
C214 C213 C212 108.4(16) . . ?
C214 C213 H21E 110.0 . . ?
C212 C213 H21E 110.0 . . ?
C214 C213 H21F 110.0 . . ?
C212 C213 H21F 110.0 . . ?
H21E C213 H21F 108.4 . . ?
C213 C214 H21G 109.5 . . ?
C213 C214 H21H 109.5 . . ?
H21G C214 H21H 109.5 . . ?
C213 C214 H21I 109.5 . . ?
H21G C214 H21I 109.5 . . ?
H21H C214 H21I 109.5 . . ?
N2 C221 C222 114.7(9) . . ?
N2 C221 H22A 108.6 . . ?
C222 C221 H22A 108.6 . . ?
N2 C221 H22B 108.6 . . ?
C222 C221 H22B 108.6 . . ?
H22A C221 H22B 107.6 . . ?
C221 C222 C223 109.9(12) . . ?
C221 C222 H22C 109.7 . . ?
C223 C222 H22C 109.7 . . ?
C221 C222 H22D 109.7 . . ?
C223 C222 H22D 109.7 . . ?
H22C C222 H22D 108.2 . . ?
C224 C223 C222 109.6(14) . . ?
C224 C223 H22E 109.8 . . ?
C222 C223 H22E 109.8 . . ?
C224 C223 H22F 109.8 . . ?
C222 C223 H22F 109.8 . . ?
H22E C223 H22F 108.2 . . ?
C223 C224 H22G 109.5 . . ?
C223 C224 H22H 109.5 . . ?
H22G C224 H22H 109.5 . . ?
C223 C224 H22I 109.5 . . ?
H22G C224 H22I 109.5 . . ?
H22H C224 H22I 109.5 . . ?
N2 C231 C232 117.0(10) . . ?
N2 C231 H23A 108.0 . . ?
C232 C231 H23A 108.0 . . ?
N2 C231 H23B 108.0 . . ?
C232 C231 H23B 108.0 . . ?
H23A C231 H23B 107.3 . . ?
C231 C232 C233 111.0(10) . . ?
C231 C232 H23C 109.4 . . ?
C233 C232 H23C 109.4 . . ?
C231 C232 H23D 109.4 . . ?
C233 C232 H23D 109.4 . . ?
H23C C232 H23D 108.0 . . ?
C234 C233 C232 109.2(11) . . ?
C234 C233 H23E 109.8 . . ?
C232 C233 H23E 109.8 . . ?
C234 C233 H23F 109.8 . . ?
C232 C233 H23F 109.8 . . ?
H23E C233 H23F 108.3 . . ?
C233 C234 H23G 109.5 . . ?
C233 C234 H23H 109.5 . . ?
H23G C234 H23H 109.5 . . ?
C233 C234 H23I 109.5 . . ?
H23G C234 H23I 109.5 . . ?
H23H C234 H23I 109.5 . . ?
C242 C241 N2 116.8(12) . . ?
C242 C241 H24A 108.1 . . ?
N2 C241 H24A 108.1 . . ?
C242 C241 H24B 108.1 . . ?
N2 C241 H24B 108.1 . . ?
H24A C241 H24B 107.3 . . ?
C241 C242 C243 117.2(14) . . ?
C241 C242 H24C 108.0 . . ?
C243 C242 H24C 108.0 . . ?
C241 C242 H24D 108.0 . . ?
C243 C242 H24D 108.0 . . ?
H24C C242 H24D 107.2 . . ?
C242 C243 C244 114.3(17) . . ?
C242 C243 H24E 108.7 . . ?
C244 C243 H24E 108.7 . . ?
C242 C243 H24F 108.7 . . ?
C244 C243 H24F 108.7 . . ?
H24E C243 H24F 107.6 . . ?
C243 C244 H24G 109.5 . . ?
C243 C244 H24H 109.5 . . ?
H24G C244 H24H 109.5 . . ?
C243 C244 H24I 109.5 . . ?
H24G C244 H24I 109.5 . . ?
H24H C244 H24I 109.5 . . ?
C311 N3 C331 106.4(9) . . ?
C311 N3 C321 109.1(9) . . ?
C331 N3 C321 113.1(10) . . ?
C311 N3 C341 111.5(9) . . ?
C331 N3 C341 111.0(9) . . ?
C321 N3 C341 105.8(9) . . ?
N3 C311 C312 116.5(11) . . ?
N3 C311 H31A 108.2 . . ?
C312 C311 H31A 108.2 . . ?
N3 C311 H31B 108.2 . . ?
C312 C311 H31B 108.2 . . ?
H31A C311 H31B 107.3 . . ?
C313 C312 C311 114.8(14) . . ?
C313 C312 H31C 108.6 . . ?
C311 C312 H31C 108.6 . . ?
C313 C312 H31D 108.6 . . ?
C311 C312 H31D 108.6 . . ?
H31C C312 H31D 107.5 . . ?
C312 C313 C314 110.8(16) . . ?
C312 C313 H31E 109.5 . . ?
C314 C313 H31E 109.5 . . ?
C312 C313 H31F 109.5 . . ?
C314 C313 H31F 109.5 . . ?
H31E C313 H31F 108.1 . . ?
C313 C314 H31G 109.5 . . ?
C313 C314 H31H 109.5 . . ?
H31G C314 H31H 109.5 . . ?
C313 C314 H31I 109.5 . . ?
H31G C314 H31I 109.5 . . ?
H31H C314 H31I 109.5 . . ?
N3 C321 C322 113.8(10) . . ?
N3 C321 H32A 108.8 . . ?
C322 C321 H32A 108.8 . . ?
N3 C321 H32B 108.8 . . ?
C322 C321 H32B 108.8 . . ?
H32A C321 H32B 107.7 . . ?
C323 C322 C321 111.3(12) . . ?
C323 C322 H32C 109.4 . . ?
C321 C322 H32C 109.4 . . ?
C323 C322 H32D 109.4 . . ?
C321 C322 H32D 109.4 . . ?
H32C C322 H32D 108.0 . . ?
C324 C323 C322 110.8(13) . . ?
C324 C323 H32E 109.5 . . ?
C322 C323 H32E 109.5 . . ?
C324 C323 H32F 109.5 . . ?
C322 C323 H32F 109.5 . . ?
H32E C323 H32F 108.1 . . ?
C323 C324 H32G 109.5 . . ?
C323 C324 H32H 109.5 . . ?
H32G C324 H32H 109.5 . . ?
C323 C324 H32I 109.5 . . ?
H32G C324 H32I 109.5 . . ?
H32H C324 H32I 109.5 . . ?
N3 C331 C332 113.4(10) . . ?
N3 C331 H33A 108.9 . . ?
C332 C331 H33A 108.9 . . ?
N3 C331 H33B 108.9 . . ?
C332 C331 H33B 108.9 . . ?
H33A C331 H33B 107.7 . . ?
C333 C332 C331 113.5(14) . . ?
C333 C332 H33C 108.9 . . ?
C331 C332 H33C 108.9 . . ?
C333 C332 H33D 108.9 . . ?
C331 C332 H33D 108.9 . . ?
H33C C332 H33D 107.7 . . ?
C332 C333 C334 114.7(17) . . ?
C332 C333 H33E 108.6 . . ?
C334 C333 H33E 108.6 . . ?
C332 C333 H33F 108.6 . . ?
C334 C333 H33F 108.6 . . ?
H33E C333 H33F 107.6 . . ?
C333 C334 H33G 109.5 . . ?
C333 C334 H33H 109.5 . . ?
H33G C334 H33H 109.5 . . ?
C333 C334 H33I 109.5 . . ?
H33G C334 H33I 109.5 . . ?
H33H C334 H33I 109.5 . . ?
N3 C341 C342 114.1(9) . . ?
N3 C341 H34A 108.7 . . ?
C342 C341 H34A 108.7 . . ?
N3 C341 H34B 108.7 . . ?
C342 C341 H34B 108.7 . . ?
H34A C341 H34B 107.6 . . ?
C341 C342 C343 109.6(11) . . ?
C341 C342 H34C 109.8 . . ?
C343 C342 H34C 109.8 . . ?
C341 C342 H34D 109.8 . . ?
C343 C342 H34D 109.8 . . ?
H34C C342 H34D 108.2 . . ?
C344 C343 C342 116.4(13) . . ?
C344 C343 H34E 108.2 . . ?
C342 C343 H34E 108.2 . . ?
C344 C343 H34F 108.2 . . ?
C342 C343 H34F 108.2 . . ?
H34E C343 H34F 107.4 . . ?
C343 C344 H34G 109.5 . . ?
C343 C344 H34H 109.5 . . ?
H34G C344 H34H 109.5 . . ?
C343 C344 H34I 109.5 . . ?
H34G C344 H34I 109.5 . . ?
H34H C344 H34I 109.5 . . ?
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
Mo1 O23 1.703(6) . ?
Mo1 O14 1.815(6) . ?
Mo1 O13 1.852(7) . ?
Mo1 O8 1.916(6) . ?
Mo1 N1A 2.257(8) . ?
Mo1 O1 2.326(6) . ?
Mo2 O24 1.699(7) . ?
Mo2 O5 1.710(6) . ?
Mo2 O8 1.941(6) . ?
Mo2 O9 1.978(6) . ?
Mo2 O1 2.256(6) . ?
Mo2 O15 2.259(6) . ?
Mo3 O25 1.704(6) . ?
Mo3 O16 1.795(7) . ?
Mo3 O9 1.854(6) . ?
Mo3 O10 1.947(6) . ?
Mo3 N3A 2.252(7) . ?
Mo3 O2 2.290(6) . ?
Mo4 O26 1.707(6) . ?
Mo4 O6 1.725(6) . ?
Mo4 O10 1.919(6) . ?
Mo4 O11 1.965(5) . ?
Mo4 O17 2.220(6) . ?
Mo4 O2 2.278(5) . ?
Mo5 O27 1.685(7) . ?
Mo5 O18 1.790(7) . ?
Mo5 O11 1.853(5) . ?
Mo5 O12 1.939(6) . ?
Mo5 N5A 2.242(9) . ?
Mo5 O3 2.307(6) . ?
Mo6 O7 1.717(7) . ?
Mo6 O28 1.720(7) . ?
Mo6 O12 1.930(6) . ?
Mo6 O13 1.979(7) . ?
Mo6 O19 2.190(7) . ?
Mo6 O3 2.277(6) . ?
V1 O3 1.687(6) . ?
V1 O1 1.688(6) . ?
V1 O2 1.709(5) . ?
V1 O4 1.744(6) . ?
O4 Mo8Y 2.227(8) . ?
O4 Mo7X 2.342(6) . ?
O4 Mo8X 2.371(6) . ?
O4 Mo9X 2.376(6) . ?
O4 Mo7Y 2.378(8) . ?
O4 Mo9Y 2.434(8) . ?
O14 Mo7X 2.113(7) . ?
O14 Mo9Y 2.149(8) . ?
O15 Mo7Y 1.720(7) . ?
O15 Mo7X 1.777(6) . ?
O16 Mo8X 2.105(7) . ?
O16 Mo7Y 2.490(9) . ?
O17 Mo8X 1.778(6) . ?
O17 Mo8Y 1.818(7) . ?
O18 Mo9X 2.077(6) . ?
O18 Mo8Y 2.446(11) . ?
O19 Mo9X 1.817(7) . ?
O19 Mo9Y 1.831(7) . ?
Mo7X O29X 1.705(7) . ?
Mo7X O20X 1.828(5) . ?
Mo7X O21X 2.045(7) . ?
Mo8X O30X 1.687(7) . ?
Mo8X O22X 1.761(9) . ?
Mo8X O20X 2.065(7) . ?
Mo9X O31X 1.705(8) . ?
Mo9X O21X 1.826(5) . ?
Mo9X O22X 2.054(7) . ?
Mo7Y O29Y 1.705(8) . ?
Mo7Y O20Y 1.827(6) . ?
Mo7Y O21Y 2.11(3) . ?
Mo8Y O30Y 1.686(8) . ?
Mo8Y O21Y 1.762(10) . ?
Mo8Y O22Y 2.23(4) . ?
Mo9Y O31Y 1.687(8) . ?
Mo9Y O22Y 1.80(4) . ?
Mo9Y O20Y 2.046(8) . ?
N1A C3A 1.345(12) . ?
N1A C1A 1.376(13) . ?
N2A C2A 1.365(14) . ?
N2A C3A 1.372(12) . ?
N2A C10A 1.473(13) . ?
N3A C6A 1.322(13) . ?
N3A C4A 1.389(12) . ?
N4A C6A 1.337(13) . ?
N4A C5A 1.374(13) . ?
N4A C11A 1.468(14) . ?
N5A C9A 1.284(14) . ?
N5A C7A 1.382(14) . ?
N6A C8A 1.337(19) . ?
N6A C9A 1.372(12) . ?
N6A C12A 1.471(18) . ?
C1A C2A 1.355(16) . ?
C1A H1A 0.9500 . ?
C2A H2A 0.9500 . ?
C3A H3A 0.9500 . ?
C4A C5A 1.327(15) . ?
C4A H4A 0.9500 . ?
C5A H5A 0.9500 . ?
C6A H6A 0.9500 . ?
C7A C8A 1.37(2) . ?
C7A H7A 0.9500 . ?
C8A H8A 0.9500 . ?
C9A H9A 0.9500 . ?
C10A C13A 1.525(15) . ?
C10A H10A 0.9900 . ?
C10A H10B 0.9900 . ?
C11A C15A 1.49(2) . ?
C11A H11A 0.9900 . ?
C11A H11B 0.9900 . ?
C12A C17A 1.493(18) . ?
C12A H12A 0.9900 . ?
C12A H12B 0.9900 . ?
C13A C18A 1.365(16) . ?
C13A C14A 1.426(17) . ?
C14A C15A 1.386(16) . ?
C14A H14A 0.9500 . ?
C15A C16A 1.35(2) . ?
C16A C17A 1.40(2) . ?
C16A H16A 0.9500 . ?
C17A C18A 1.408(18) . ?
C18A H18A 0.9500 . ?
N1B C2B 1.154(16) . ?
C1B C2B 1.475(17) . ?
C1B H1BA 0.9800 . ?
C1B H1BB 0.9800 . ?
C1B H1BC 0.9800 . ?
N1C C2C 1.11(3) . ?
C1C C2C 1.53(3) . ?
C1C H1CA 0.9800 . ?
C1C H1CB 0.9800 . ?
C1C H1CC 0.9800 . ?
N1 C131 1.507(13) . ?
N1 C111 1.509(14) . ?
N1 C121 1.517(14) . ?
N1 C141 1.551(14) . ?
C111 C112 1.497(15) . ?
C111 H11C 0.9900 . ?
C111 H11D 0.9900 . ?
C112 C113 1.477(19) . ?
C112 H11E 0.9900 . ?
C112 H11F 0.9900 . ?
C113 C114 1.580(19) . ?
C113 H11G 0.9900 . ?
C113 H11H 0.9900 . ?
C114 H11I 0.9800 . ?
C114 H11J 0.9800 . ?
C114 H11K 0.9800 . ?
C121 C122 1.487(15) . ?
C121 H12C 0.9900 . ?
C121 H12D 0.9900 . ?
C122 C123 1.64(2) . ?
C122 H12E 0.9900 . ?
C122 H12F 0.9900 . ?
C123 C124 1.49(2) . ?
C123 H12G 0.9900 . ?
C123 H12H 0.9900 . ?
C124 H12I 0.9800 . ?
C124 H12J 0.9800 . ?
C124 H12K 0.9800 . ?
C131 C132 1.506(16) . ?
C131 H13A 0.9900 . ?
C131 H13B 0.9900 . ?
C132 C133 1.494(16) . ?
C132 H13C 0.9900 . ?
C132 H13D 0.9900 . ?
C133 C134 1.473(19) . ?
C133 H13E 0.9900 . ?
C133 H13F 0.9900 . ?
C134 H13G 0.9800 . ?
C134 H13H 0.9800 . ?
C134 H13I 0.9800 . ?
C141 C142 1.55(2) . ?
C141 H14B 0.9900 . ?
C141 H14C 0.9900 . ?
C142 C143 1.52(3) . ?
C142 H14D 0.9900 . ?
C142 H14E 0.9900 . ?
C143 C144 1.45(2) . ?
C143 H14F 0.9900 . ?
C143 H14G 0.9900 . ?
C144 H14H 0.9800 . ?
C144 H14I 0.9800 . ?
C144 H14J 0.9800 . ?
N2 C231 1.471(14) . ?
N2 C221 1.500(14) . ?
N2 C211 1.508(17) . ?
N2 C241 1.531(15) . ?
C211 C212 1.538(18) . ?
C211 H21A 0.9900 . ?
C211 H21B 0.9900 . ?
C212 C213 1.57(2) . ?
C212 H21C 0.9900 . ?
C212 H21D 0.9900 . ?
C213 C214 1.55(2) . ?
C213 H21E 0.9900 . ?
C213 H21F 0.9900 . ?
C214 H21G 0.9800 . ?
C214 H21H 0.9800 . ?
C214 H21I 0.9800 . ?
C221 C222 1.543(16) . ?
C221 H22A 0.9900 . ?
C221 H22B 0.9900 . ?
C222 C223 1.56(2) . ?
C222 H22C 0.9900 . ?
C222 H22D 0.9900 . ?
C223 C224 1.46(2) . ?
C223 H22E 0.9900 . ?
C223 H22F 0.9900 . ?
C224 H22G 0.9800 . ?
C224 H22H 0.9800 . ?
C224 H22I 0.9800 . ?
C231 C232 1.520(18) . ?
C231 H23A 0.9900 . ?
C231 H23B 0.9900 . ?
C232 C233 1.576(17) . ?
C232 H23C 0.9900 . ?
C232 H23D 0.9900 . ?
C233 C234 1.50(2) . ?
C233 H23E 0.9900 . ?
C233 H23F 0.9900 . ?
C234 H23G 0.9800 . ?
C234 H23H 0.9800 . ?
C234 H23I 0.9800 . ?
C241 C242 1.465(17) . ?
C241 H24A 0.9900 . ?
C241 H24B 0.9900 . ?
C242 C243 1.48(2) . ?
C242 H24C 0.9900 . ?
C242 H24D 0.9900 . ?
C243 C244 1.54(2) . ?
C243 H24E 0.9900 . ?
C243 H24F 0.9900 . ?
C244 H24G 0.9800 . ?
C244 H24H 0.9800 . ?
C244 H24I 0.9800 . ?
N3 C311 1.506(15) . ?
N3 C331 1.522(14) . ?
N3 C321 1.523(16) . ?
N3 C341 1.539(14) . ?
C311 C312 1.544(18) . ?
C311 H31A 0.9900 . ?
C311 H31B 0.9900 . ?
C312 C313 1.51(2) . ?
C312 H31C 0.9900 . ?
C312 H31D 0.9900 . ?
C313 C314 1.52(2) . ?
C313 H31E 0.9900 . ?
C313 H31F 0.9900 . ?
C314 H31G 0.9800 . ?
C314 H31H 0.9800 . ?
C314 H31I 0.9800 . ?
C321 C322 1.526(16) . ?
C321 H32A 0.9900 . ?
C321 H32B 0.9900 . ?
C322 C323 1.48(2) . ?
C322 H32C 0.9900 . ?
C322 H32D 0.9900 . ?
C323 C324 1.47(2) . ?
C323 H32E 0.9900 . ?
C323 H32F 0.9900 . ?
C324 H32G 0.9800 . ?
C324 H32H 0.9800 . ?
C324 H32I 0.9800 . ?
C331 C332 1.527(19) . ?
C331 H33A 0.9900 . ?
C331 H33B 0.9900 . ?
C332 C333 1.45(2) . ?
C332 H33C 0.9900 . ?
C332 H33D 0.9900 . ?
C333 C334 1.518(10) . ?
C333 H33E 0.9900 . ?
C333 H33F 0.9900 . ?
C334 H33G 0.9800 . ?
C334 H33H 0.9800 . ?
C334 H33I 0.9800 . ?
C341 C342 1.546(18) . ?
C341 H34A 0.9900 . ?
C341 H34B 0.9900 . ?
C342 C343 1.548(16) . ?
C342 H34C 0.9900 . ?
C342 H34D 0.9900 . ?
C343 C344 1.46(2) . ?
C343 H34E 0.9900 . ?
C343 H34F 0.9900 . ?
C344 H34G 0.9800 . ?
C344 H34H 0.9800 . ?
C344 H34I 0.9800 . ?
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
O3 V1 O1 Mo2 170.2(3) . . . . ?
O2 V1 O1 Mo2 46.4(4) . . . . ?
O4 V1 O1 Mo2 -71.6(4) . . . . ?
O3 V1 O1 Mo1 -63.9(4) . . . . ?
O2 V1 O1 Mo1 172.3(3) . . . . ?
O4 V1 O1 Mo1 54.3(4) . . . . ?
O3 V1 O2 Mo4 47.7(4) . . . . ?
O1 V1 O2 Mo4 171.5(3) . . . . ?
O4 V1 O2 Mo4 -70.5(4) . . . . ?
O3 V1 O2 Mo3 172.7(3) . . . . ?
O1 V1 O2 Mo3 -63.6(4) . . . . ?
O4 V1 O2 Mo3 54.5(4) . . . . ?
O1 V1 O3 Mo6 47.5(4) . . . . ?
O2 V1 O3 Mo6 171.7(3) . . . . ?
O4 V1 O3 Mo6 -70.4(4) . . . . ?
O1 V1 O3 Mo5 172.6(3) . . . . ?
O2 V1 O3 Mo5 -63.2(4) . . . . ?
O4 V1 O3 Mo5 54.7(4) . . . . ?
O3 V1 O4 Mo8Y -72.6(5) . . . . ?
O1 V1 O4 Mo8Y 167.6(4) . . . . ?
O2 V1 O4 Mo8Y 47.2(5) . . . . ?
O3 V1 O4 Mo7X 130.6(3) . . . . ?
O1 V1 O4 Mo7X 10.9(4) . . . . ?
O2 V1 O4 Mo7X -109.5(4) . . . . ?
O3 V1 O4 Mo8X -107.8(3) . . . . ?
O1 V1 O4 Mo8X 132.5(3) . . . . ?
O2 V1 O4 Mo8X 12.1(4) . . . . ?
O3 V1 O4 Mo9X 9.3(4) . . . . ?
O1 V1 O4 Mo9X -110.5(3) . . . . ?
O2 V1 O4 Mo9X 129.1(3) . . . . ?
O3 V1 O4 Mo7Y 165.8(3) . . . . ?
O1 V1 O4 Mo7Y 46.1(4) . . . . ?
O2 V1 O4 Mo7Y -74.3(4) . . . . ?
O3 V1 O4 Mo9Y 54.9(4) . . . . ?
O1 V1 O4 Mo9Y -64.9(4) . . . . ?
O2 V1 O4 Mo9Y 174.7(3) . . . . ?
O25 Mo3 O9 Mo2 141.8(11) . . . . ?
O16 Mo3 O9 Mo2 34.4(11) . . . . ?
O10 Mo3 O9 Mo2 -77.6(13) . . . . ?
N3A Mo3 O9 Mo2 -130.8(11) . . . . ?
O2 Mo3 O9 Mo2 -52.1(11) . . . . ?
O27 Mo5 O11 Mo4 138.4(11) . . . . ?
O18 Mo5 O11 Mo4 31.8(11) . . . . ?
O12 Mo5 O11 Mo4 -81.7(12) . . . . ?
N5A Mo5 O11 Mo4 -134.5(11) . . . . ?
O3 Mo5 O11 Mo4 -55.8(11) . . . . ?
O23 Mo1 O13 Mo6 143.8(13) . . . . ?
O14 Mo1 O13 Mo6 37.3(13) . . . . ?
O8 Mo1 O13 Mo6 -73.4(15) . . . . ?
N1A Mo1 O13 Mo6 -127.3(13) . . . . ?
O1 Mo1 O13 Mo6 -49.1(13) . . . . ?
O23 Mo1 O14 Mo7X 144.0(5) . . . . ?
O13 Mo1 O14 Mo7X -110.0(5) . . . . ?
O8 Mo1 O14 Mo7X 42.6(5) . . . . ?
N1A Mo1 O14 Mo7X -18.1(15) . . . . ?
O1 Mo1 O14 Mo7X -28.9(5) . . . . ?
O23 Mo1 O14 Mo9Y -106.7(5) . . . . ?
O13 Mo1 O14 Mo9Y -0.8(5) . . . . ?
O8 Mo1 O14 Mo9Y 151.8(4) . . . . ?
N1A Mo1 O14 Mo9Y 91.1(12) . . . . ?
O1 Mo1 O14 Mo9Y 80.3(4) . . . . ?
O25 Mo3 O16 Mo8X 142.2(6) . . . . ?
O9 Mo3 O16 Mo8X -111.3(6) . . . . ?
O10 Mo3 O16 Mo8X 42.1(6) . . . . ?
N3A Mo3 O16 Mo8X -10.7(16) . . . . ?
O2 Mo3 O16 Mo8X -29.8(6) . . . . ?
O25 Mo3 O16 Mo7Y -110.1(4) . . . . ?
O9 Mo3 O16 Mo7Y -3.5(5) . . . . ?
O10 Mo3 O16 Mo7Y 149.9(4) . . . . ?
N3A Mo3 O16 Mo7Y 97.1(12) . . . . ?
O2 Mo3 O16 Mo7Y 77.9(4) . . . . ?
O27 Mo5 O18 Mo9X 140.8(6) . . . . ?
O11 Mo5 O18 Mo9X -113.1(6) . . . . ?
O12 Mo5 O18 Mo9X 40.3(6) . . . . ?
N5A Mo5 O18 Mo9X -17.9(18) . . . . ?
O3 Mo5 O18 Mo9X -31.5(6) . . . . ?
O27 Mo5 O18 Mo8Y -117.9(5) . . . . ?
O11 Mo5 O18 Mo8Y -11.9(5) . . . . ?
O12 Mo5 O18 Mo8Y 141.5(4) . . . . ?
N5A Mo5 O18 Mo8Y 83.3(14) . . . . ?
O3 Mo5 O18 Mo8Y 69.7(4) . . . . ?
Mo2 O15 Mo7X O29X 128.1(7) . . . . ?
Mo2 O15 Mo7X O20X -124.8(6) . . . . ?
Mo2 O15 Mo7X O21X -11.0(10) . . . . ?
Mo2 O15 Mo7X O14 30.9(6) . . . . ?
Mo2 O15 Mo7X O4 -50.5(6) . . . . ?
Mo4 O17 Mo8X O30X 113.1(6) . . . . ?
Mo4 O17 Mo8X O22X -139.1(6) . . . . ?
Mo4 O17 Mo8X O20X -36.1(10) . . . . ?
Mo4 O17 Mo8X O16 15.0(6) . . . . ?
Mo4 O17 Mo8X O4 -65.1(6) . . . . ?
Mo6 O19 Mo9X O31X 116.6(7) . . . . ?
Mo6 O19 Mo9X O21X -137.3(6) . . . . ?
Mo6 O19 Mo9X O22X -33.6(10) . . . . ?
Mo6 O19 Mo9X O18 16.9(6) . . . . ?
Mo6 O19 Mo9X O4 -64.7(6) . . . . ?
O29X Mo7X O20X Mo8X -167.3(4) . . . . ?
O15 Mo7X O20X Mo8X 83.5(5) . . . . ?
O21X Mo7X O20X Mo8X -70.4(4) . . . . ?
O14 Mo7X O20X Mo8X -20.6(10) . . . . ?
O4 Mo7X O20X Mo8X 0.3(4) . . . . ?
O31X Mo9X O21X Mo7X -166.9(5) . . . . ?
O19 Mo9X O21X Mo7X 85.5(5) . . . . ?
O22X Mo9X O21X Mo7X -67.0(6) . . . . ?
O18 Mo9X O21X Mo7X -16.3(11) . . . . ?
O4 Mo9X O21X Mo7X 2.3(4) . . . . ?
O30X Mo8X O22X Mo9X -164.9(5) . . . . ?
O17 Mo8X O22X Mo9X 85.9(5) . . . . ?
O20X Mo8X O22X Mo9X -69.2(5) . . . . ?
O16 Mo8X O22X Mo9X -12.6(10) . . . . ?
O4 Mo8X O22X Mo9X 1.6(4) . . . . ?
Mo2 O15 Mo7Y O29Y -113.7(15) . . . . ?
Mo2 O15 Mo7Y O20Y 137.2(7) . . . . ?
Mo2 O15 Mo7Y O21Y 36(3) . . . . ?
Mo2 O15 Mo7Y O4 60.5(8) . . . . ?
Mo2 O15 Mo7Y O16 -11.5(8) . . . . ?
Mo4 O17 Mo8Y O30Y -137.0(17) . . . . ?
Mo4 O17 Mo8Y O21Y 119.5(15) . . . . ?
Mo4 O17 Mo8Y O22Y 1(3) . . . . ?
Mo4 O17 Mo8Y O4 39.8(9) . . . . ?
Mo4 O17 Mo8Y O18 -37.2(9) . . . . ?
Mo6 O19 Mo9Y O31Y -115.4(15) . . . . ?
Mo6 O19 Mo9Y O22Y 143.8(14) . . . . ?
Mo6 O19 Mo9Y O20Y 56(3) . . . . ?
Mo6 O19 Mo9Y O14 -3.9(8) . . . . ?
Mo6 O19 Mo9Y O4 72.6(6) . . . . ?
O29Y Mo7Y O20Y Mo9Y 174(2) . . . . ?
O15 Mo7Y O20Y Mo9Y -83(2) . . . . ?
O21Y Mo7Y O20Y Mo9Y 73(2) . . . . ?
O4 Mo7Y O20Y Mo9Y 2.6(18) . . . . ?
O16 Mo7Y O20Y Mo9Y 30(4) . . . . ?
O30Y Mo8Y O21Y Mo7Y 167(2) . . . . ?
O17 Mo8Y O21Y Mo7Y -84(2) . . . . ?
O22Y Mo8Y O21Y Mo7Y 73(2) . . . . ?
O4 Mo8Y O21Y Mo7Y 2.8(18) . . . . ?
O18 Mo8Y O21Y Mo7Y 44(4) . . . . ?
O31Y Mo9Y O22Y Mo8Y 170(3) . . . . ?
O19 Mo9Y O22Y Mo8Y -81(2) . . . . ?
O20Y Mo9Y O22Y Mo8Y 74(2) . . . . ?
O14 Mo9Y O22Y Mo8Y 39(4) . . . . ?
O4 Mo9Y O22Y Mo8Y 0.5(19) . . . . ?
C3A N1A C1A C2A 0.8(14) . . . . ?
Mo1 N1A C1A C2A -174.2(8) . . . . ?
N1A C1A C2A N2A 0.4(15) . . . . ?
C3A N2A C2A C1A -1.5(14) . . . . ?
C10A N2A C2A C1A -178.7(11) . . . . ?
C1A N1A C3A N2A -1.7(11) . . . . ?
Mo1 N1A C3A N2A 173.3(6) . . . . ?
C2A N2A C3A N1A 2.0(12) . . . . ?
C10A N2A C3A N1A 179.3(9) . . . . ?
C6A N3A C4A C5A 1.8(12) . . . . ?
Mo3 N3A C4A C5A -171.2(7) . . . . ?
N3A C4A C5A N4A -2.0(13) . . . . ?
C6A N4A C5A C4A 1.5(14) . . . . ?
C11A N4A C5A C4A -178.7(13) . . . . ?
C4A N3A C6A N4A -0.8(12) . . . . ?
Mo3 N3A C6A N4A 172.1(7) . . . . ?
C5A N4A C6A N3A -0.4(14) . . . . ?
C11A N4A C6A N3A 179.9(12) . . . . ?
C9A N5A C7A C8A 2.7(13) . . . . ?
Mo5 N5A C7A C8A -171.8(8) . . . . ?
C9A N6A C8A C7A 0.1(14) . . . . ?
C12A N6A C8A C7A 179.7(11) . . . . ?
N5A C7A C8A N6A -1.6(15) . . . . ?
C7A N5A C9A N6A -2.7(12) . . . . ?
Mo5 N5A C9A N6A 171.5(6) . . . . ?
C8A N6A C9A N5A 1.7(12) . . . . ?
C12A N6A C9A N5A -177.9(10) . . . . ?
C2A N2A C10A C13A -133.2(12) . . . . ?
C3A N2A C10A C13A 50.1(15) . . . . ?
C6A N4A C11A C15A 53.3(19) . . . . ?
C5A N4A C11A C15A -126.4(13) . . . . ?
C8A N6A C12A C17A -119.9(14) . . . . ?
C9A N6A C12A C17A 59.7(16) . . . . ?
N2A C10A C13A C18A -107.0(11) . . . . ?
N2A C10A C13A C14A 72.3(13) . . . . ?
C18A C13A C14A C15A 1.3(15) . . . . ?
C10A C13A C14A C15A -178.0(9) . . . . ?
C13A C14A C15A C16A -2.2(15) . . . . ?
C13A C14A C15A C11A 178.1(9) . . . . ?
N4A C11A C15A C16A 70.8(15) . . . . ?
N4A C11A C15A C14A -109.6(13) . . . . ?
C14A C15A C16A C17A -0.8(17) . . . . ?
C11A C15A C16A C17A 178.9(11) . . . . ?
C15A C16A C17A C18A 4.6(18) . . . . ?
C15A C16A C17A C12A 179.0(10) . . . . ?
N6A C12A C17A C16A -110.0(15) . . . . ?
N6A C12A C17A C18A 64.3(14) . . . . ?
C14A C13A C18A C17A 2.6(15) . . . . ?
C10A C13A C18A C17A -178.1(9) . . . . ?
C16A C17A C18A C13A -5.3(16) . . . . ?
C12A C17A C18A C13A -180.0(9) . . . . ?
C131 N1 C111 C112 -55.3(12) . . . . ?
C121 N1 C111 C112 -175.7(10) . . . . ?
C141 N1 C111 C112 63.7(12) . . . . ?
N1 C111 C112 C113 -169.9(10) . . . . ?
C111 C112 C113 C114 -178.8(11) . . . . ?
C131 N1 C121 C122 61.7(14) . . . . ?
C111 N1 C121 C122 -177.3(11) . . . . ?
C141 N1 C121 C122 -58.1(15) . . . . ?
N1 C121 C122 C123 -169.4(13) . . . . ?
C121 C122 C123 C124 -170.9(16) . . . . ?
C111 N1 C131 C132 -55.5(12) . . . . ?
C121 N1 C131 C132 62.5(12) . . . . ?
C141 N1 C131 C132 -175.4(11) . . . . ?
N1 C131 C132 C133 179.5(11) . . . . ?
C131 C132 C133 C134 -172.8(13) . . . . ?
C131 N1 C141 C142 173.6(13) . . . . ?
C111 N1 C141 C142 52.4(17) . . . . ?
C121 N1 C141 C142 -65.0(17) . . . . ?
N1 C141 C142 C143 -164.6(15) . . . . ?
C141 C142 C143 C144 -177.4(17) . . . . ?
C231 N2 C211 C212 176.7(11) . . . . ?
C221 N2 C211 C212 54.1(14) . . . . ?
C241 N2 C211 C212 -64.0(14) . . . . ?
N2 C211 C212 C213 168.7(13) . . . . ?
C211 C212 C213 C214 178.1(15) . . . . ?
C231 N2 C221 C222 -59.2(15) . . . . ?
C211 N2 C221 C222 61.1(14) . . . . ?
C241 N2 C221 C222 -179.2(12) . . . . ?
N2 C221 C222 C223 162.3(12) . . . . ?
C221 C222 C223 C224 -173.2(14) . . . . ?
C221 N2 C231 C232 -47.1(15) . . . . ?
C211 N2 C231 C232 -169.5(11) . . . . ?
C241 N2 C231 C232 71.2(13) . . . . ?
N2 C231 C232 C233 -169.0(10) . . . . ?
C231 C232 C233 C234 -168.3(12) . . . . ?
C231 N2 C241 C242 68.0(17) . . . . ?
C221 N2 C241 C242 -171.0(14) . . . . ?
C211 N2 C241 C242 -50.2(18) . . . . ?
N2 C241 C242 C243 -166.9(15) . . . . ?
C241 C242 C243 C244 -160.3(16) . . . . ?
C331 N3 C311 C312 -175.1(12) . . . . ?
C321 N3 C311 C312 62.5(13) . . . . ?
C341 N3 C311 C312 -54.0(14) . . . . ?
N3 C311 C312 C313 167.1(11) . . . . ?
C311 C312 C313 C314 -170.1(13) . . . . ?
C311 N3 C321 C322 58.8(13) . . . . ?
C331 N3 C321 C322 -59.5(13) . . . . ?
C341 N3 C321 C322 178.8(11) . . . . ?
N3 C321 C322 C323 171.5(12) . . . . ?
C321 C322 C323 C324 -179.3(13) . . . . ?
C311 N3 C331 C332 -170.7(12) . . . . ?
C321 N3 C331 C332 -50.8(14) . . . . ?
C341 N3 C331 C332 67.9(15) . . . . ?
N3 C331 C332 C333 -162.0(13) . . . . ?
C331 C332 C333 C334 83(2) . . . . ?
C311 N3 C341 C342 -53.4(13) . . . . ?
C331 N3 C341 C342 65.1(14) . . . . ?
C321 N3 C341 C342 -171.9(10) . . . . ?
N3 C341 C342 C343 -172.7(10) . . . . ?
C341 C342 C343 C344 68.2(16) . . . . ?
