#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:01:41 +0100 (vie 25 de mar de 2016) $
#$Revision: 180000 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/94/7029458.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_7029458
loop_
_publ_author_name
'Li, Zi-Liang'
'Wang, Ying'
'Zhang, Lan-Cui'
'Wang, Jian-Ping'
'You, Wan-Sheng'
'Zhu, Zai-Ming'
_publ_section_title
;
 Three molybdophosphates based on Strandberg-type anions and
 Zn(ii)-H2biim/H2O subunits: syntheses, structures and catalytic
 properties.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5840
_journal_page_last               5846
_journal_paper_doi               10.1039/c3dt53023j
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C48 H56 Mo10 N32 O46 P4 Zn,9H2O'
_chemical_formula_sum            'C48 H74 Mo10 N32 O55 P4 Zn'
_chemical_formula_weight         3128.04
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.062(2)
_cell_angle_beta                 93.345(2)
_cell_angle_gamma                116.935(2)
_cell_formula_units_Z            1
_cell_length_a                   11.1120(16)
_cell_length_b                   11.3558(16)
_cell_length_c                   21.988(3)
_cell_measurement_reflns_used    4092
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      2.07
_cell_volume                     2405.5(6)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997a)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997b)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997b)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker Apex2 CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0174
_diffrn_reflns_av_unetI/netI     0.0285
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            12541
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.15
_exptl_absorpt_coefficient_mu    1.684
_exptl_absorpt_correction_T_max  0.9801
_exptl_absorpt_correction_T_min  0.8209
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.159
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1536
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.783
_refine_diff_density_min         -1.143
_refine_diff_density_rms         0.113
_refine_ls_extinction_coef       0.00545(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     749
_refine_ls_number_reflns         8809
_refine_ls_number_restraints     151
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0355
_refine_ls_R_factor_gt           0.0335
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0397P)²+9.8576P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0876
_refine_ls_wR_factor_ref         0.0892
_reflns_number_gt                8322
_reflns_number_total             8809
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt53023j2.cif
_cod_data_source_block           1
_cod_database_code               7029458
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.40085(2) 0.39841(2) 0.359063(11) 0.02103(6) Uani 1 1 d . . .
Mo2 Mo 0.27488(2) -0.07214(2) 0.185642(11) 0.02042(6) Uani 1 1 d . . .
Mo3 Mo -0.01222(2) 0.00424(2) 0.175404(12) 0.02519(6) Uani 1 1 d . . .
Mo4 Mo 0.10735(2) 0.31670(2) 0.268256(12) 0.02315(6) Uani 1 1 d . . .
Mo5 Mo 0.49577(2) 0.15682(2) 0.309036(11) 0.01874(5) Uani 1 1 d . . .
Zn1 Zn 0.31610(7) 0.40302(7) 0.08272(3) 0.03154(18) Uani 0.50 1 d PD . 1
P1 P 0.15942(6) 0.05851(6) 0.31565(3) 0.01607(15) Uani 1 1 d . . .
P2 P 0.34632(7) 0.25559(7) 0.19647(3) 0.01893(16) Uani 1 1 d . . .
O1 O 0.27209(17) 0.04559(18) 0.28106(9) 0.0189(4) Uani 1 1 d . . .
O2 O 0.46164(18) 0.04476(19) 0.22848(9) 0.0222(5) Uani 1 1 d . . .
O3 O 0.44080(19) 0.29617(18) 0.25921(9) 0.0223(5) Uani 1 1 d . . .
O4 O 0.29635(19) 0.43835(19) 0.30237(10) 0.0244(5) Uani 1 1 d . . .
O5 O 0.34518(19) 0.1331(2) 0.15380(9) 0.0247(5) Uani 1 1 d . . .
O6 O 0.18717(18) 0.20686(18) 0.32966(9) 0.0224(5) Uani 1 1 d . . .
O7 O 0.02457(18) -0.02927(18) 0.27065(9) 0.0209(5) Uani 1 1 d . . .
O8 O 0.19685(19) 0.21251(19) 0.20699(10) 0.0239(5) Uani 1 1 d . . .
O9 O -0.0391(2) 0.1412(2) 0.22725(11) 0.0306(6) Uani 1 1 d . . .
O10 O 0.10536(19) -0.0807(2) 0.16327(9) 0.0255(5) Uani 1 1 d . . .
O11 O 0.3583(2) 0.4407(2) 0.42952(10) 0.0349(6) Uani 1 1 d . . .
O12 O 0.5585(2) 0.5302(2) 0.36016(11) 0.0324(6) Uani 1 1 d . . .
O13 O 0.1554(2) 0.0094(2) 0.37567(9) 0.0277(5) Uani 1 1 d . . .
O14 O 0.44905(19) 0.26119(19) 0.37244(9) 0.0238(5) Uani 1 1 d . . .
O15 O 0.5000(2) 0.0493(2) 0.35462(10) 0.0299(5) Uani 1 1 d . . .
O16 O 0.6640(2) 0.2677(2) 0.31066(11) 0.0325(6) Uani 1 1 d . . .
O17 O -0.1684(2) -0.1329(2) 0.16591(12) 0.0361(6) Uani 1 1 d . . .
O18 O 0.3983(2) 0.3765(2) 0.16595(10) 0.0349(6) Uani 1 1 d . . .
O19 O 0.2321(2) -0.2087(2) 0.21841(11) 0.0314(5) Uani 1 1 d . . .
O20 O 0.3112(2) -0.1246(2) 0.11448(11) 0.0357(6) Uani 1 1 d . . .
O21 O 0.0926(2) 0.4138(2) 0.22039(12) 0.0392(6) Uani 1 1 d . . .
O22 O 0.0284(2) 0.3451(2) 0.33010(12) 0.0398(6) Uani 1 1 d . . .
O23 O -0.0110(3) 0.0460(2) 0.10447(11) 0.0420(7) Uani 1 1 d . . .
N1 N 0.6082(3) 0.1634(3) 0.12813(12) 0.0315(7) Uani 1 1 d . . .
H1A H 0.5351 0.1420 0.1448 0.038 Uiso 1 1 calc R . .
N2 N 0.7471(3) 0.2127(3) 0.05827(14) 0.0410(8) Uani 1 1 d . . .
H2A H 0.7787 0.2275 0.0240 0.049 Uiso 1 1 calc R . .
N3 N 0.3851(3) 0.1290(3) 0.03106(14) 0.0339(7) Uani 1 1 d . . .
H3A H 0.3524 0.1179 0.0653 0.041 Uiso 1 1 calc R . .
N4 N 0.5227(3) 0.1684(3) -0.03606(13) 0.0418(8) Uani 1 1 d . . .
H4A H 0.5953 0.1872 -0.0528 0.050 Uiso 1 1 calc R . .
N5 N 0.3161(3) -0.1650(3) 0.39733(13) 0.0363(7) Uani 1 1 d . . .
H5A H 0.3589 -0.1076 0.3754 0.044 Uiso 1 1 calc R . .
N6 N 0.2259(3) -0.2503(3) 0.47304(14) 0.0358(7) Uani 1 1 d . . .
H6A H 0.1994 -0.2577 0.5088 0.043 Uiso 1 1 calc R . .
N7 N 0.4112(3) 0.1169(3) 0.47593(13) 0.0337(7) Uani 1 1 d . . .
H7A H 0.4400 0.1247 0.4406 0.040 Uiso 1 1 calc R . .
N8 N 0.3115(3) 0.0230(3) 0.55014(13) 0.0366(7) Uani 1 1 d . . .
H8A H 0.2666 -0.0360 0.5710 0.044 Uiso 1 1 calc R . .
N9 N 0.6917(3) 0.8258(3) 0.27717(14) 0.0412(8) Uani 1 1 d . . .
H9A H 0.7699 0.8907 0.2958 0.049 Uiso 1 1 calc R . .
N10 N 0.5323(3) 0.6263(3) 0.23090(13) 0.0334(7) Uani 1 1 d . . .
H10A H 0.4895 0.5409 0.2143 0.040 Uiso 1 1 calc R . .
N11 N 0.8895(3) 0.7114(3) 0.26203(15) 0.0370(8) Uani 1 1 d . . .
H11A H 0.9335 0.7960 0.2617 0.044 Uiso 1 1 calc R . .
N12 N 0.7263(2) 0.5152(2) 0.26273(13) 0.0296(6) Uani 1 1 d . . .
H12A H 0.6460 0.4509 0.2628 0.036 Uiso 1 1 calc R . .
N13 N -0.1135(3) -0.1617(3) 0.52050(13) 0.0384(8) Uani 1 1 d . . .
H13A H -0.1361 -0.1417 0.5561 0.046 Uiso 1 1 calc R . .
N14 N -0.0202(3) -0.1410(3) 0.43689(12) 0.0337(7) Uani 1 1 d . . .
H14A H 0.0273 -0.1059 0.4092 0.040 Uiso 1 1 calc R . .
C1 C 0.6214(3) 0.1783(3) 0.06877(15) 0.0291(7) Uani 1 1 d . . .
C2 C 0.5123(3) 0.1589(3) 0.02322(15) 0.0305(8) Uani 1 1 d . . .
C3 C 0.7318(3) 0.1885(4) 0.15650(16) 0.0367(9) Uani 1 1 d . . .
H3B H 0.7542 0.1849 0.1973 0.044 Uiso 1 1 calc R . .
C4 C 0.8161(3) 0.2200(4) 0.11292(17) 0.0415(10) Uani 1 1 d . . .
H4B H 0.9083 0.2433 0.1196 0.050 Uiso 1 1 calc R . .
C5 C 0.3140(4) 0.1185(4) -0.02465(18) 0.0446(10) Uani 1 1 d . . .
H5B H 0.2225 0.0976 -0.0320 0.054 Uiso 1 1 calc R . .
C6 C 0.3994(4) 0.1436(4) -0.06582(18) 0.0500(10) Uani 1 1 d . . .
H6B H 0.3792 0.1442 -0.1074 0.060 Uiso 1 1 calc R . .
C7 C 0.2950(3) -0.1336(3) 0.45561(15) 0.0290(7) Uani 1 1 d . . .
C8 C 0.3381(3) -0.0006(3) 0.49344(14) 0.0266(7) Uani 1 1 d . . .
C9 C 0.2586(4) -0.3033(4) 0.3778(2) 0.0467(11) Uani 1 1 d . . .
H9B H 0.2580 -0.3513 0.3388 0.056 Uiso 1 1 calc R . .
C10 C 0.2038(4) -0.3561(3) 0.42522(19) 0.0453(11) Uani 1 1 d . . .
H10B H 0.1589 -0.4477 0.4257 0.054 Uiso 1 1 calc R . .
C11 C 0.4315(4) 0.2209(3) 0.52381(16) 0.0372(9) Uani 1 1 d . . .
H11B H 0.4775 0.3133 0.5251 0.045 Uiso 1 1 calc R . .
C12 C 0.3700(4) 0.1603(4) 0.56917(16) 0.0406(9) Uani 1 1 d . . .
H12B H 0.3678 0.2063 0.6081 0.049 Uiso 1 1 calc R . .
C13 C 0.6616(3) 0.6961(3) 0.25745(15) 0.0291(7) Uani 1 1 d . . .
C14 C 0.7567(3) 0.6420(3) 0.26135(15) 0.0276(7) Uani 1 1 d . . .
C15 C 0.5780(4) 0.8378(4) 0.2630(2) 0.0564(11) Uani 1 1 d . . .
H15A H 0.5708 0.9173 0.2715 0.068 Uiso 1 1 calc R . .
C16 C 0.4780(4) 0.7145(4) 0.2345(2) 0.0538(10) Uani 1 1 d . . .
H16B H 0.3885 0.6924 0.2199 0.065 Uiso 1 1 calc R . .
C17 C 0.9457(3) 0.6263(4) 0.2634(2) 0.0437(10) Uani 1 1 d . . .
H17A H 1.0374 0.6493 0.2637 0.052 Uiso 1 1 calc R . .
C18 C 0.8438(3) 0.5035(3) 0.26411(17) 0.0359(8) Uani 1 1 d . . .
H18A H 0.8516 0.4257 0.2653 0.043 Uiso 1 1 calc R . .
C19 C -0.0318(3) -0.0722(3) 0.48952(14) 0.0301(8) Uani 1 1 d . . .
C20 C -0.1547(4) -0.2896(4) 0.48632(18) 0.0469(11) Uani 1 1 d . . .
H20A H -0.2121 -0.3704 0.4969 0.056 Uiso 1 1 calc R . .
C21 C -0.0958(4) -0.2760(4) 0.43386(18) 0.0451(10) Uani 1 1 d . . .
H21A H -0.1053 -0.3463 0.4017 0.054 Uiso 1 1 d R . .
N15 N 0.2975(5) 0.4531(7) -0.0094(3) 0.0493(7) Uani 0.50 1 d PDU . 1
N16 N 0.4369(4) 0.5353(7) -0.0821(2) 0.0560(15) Uani 0.50 1 d PDU . 1
C22 C 0.2083(7) 0.4494(8) -0.0556(3) 0.052(2) Uani 0.50 1 d PDU . 1
H22A H 0.1161 0.4243 -0.0557 0.063 Uiso 0.50 1 d PR . 1
C23 C 0.2960(6) 0.5006(8) -0.0971(3) 0.0568(19) Uani 0.50 1 d PDU . 1
H23A H 0.2672 0.5136 -0.1348 0.068 Uiso 0.50 1 d PR . 1
C24 C 0.4236(5) 0.5041(7) -0.0253(2) 0.0401(11) Uani 0.50 1 d PDU . 1
O1W O 0.2309(5) 0.5163(6) 0.1256(2) 0.0494(15) Uani 0.50 1 d P A 1
O2W O 0.1575(5) 0.2178(5) 0.0523(2) 0.0412(13) Uani 0.50 1 d PDU B 1
N15A N 0.6727(4) 0.5666(6) 0.0058(2) 0.0455(16) Uani 0.50 1 d PDU . 1
N16A N 0.5087(5) 0.4739(5) 0.0648(2) 0.0419(15) Uani 0.50 1 d PDU . 1
C22A C 0.7345(6) 0.5568(8) 0.0599(3) 0.052(2) Uani 0.50 1 d PDU . 1
H22D H 0.8270 0.5935 0.0749 0.062 Uiso 0.50 1 d PR . 1
C23A C 0.6287(4) 0.4882(6) 0.0924(2) 0.0245(12) Uani 0.50 1 d PDU . 1
H23D H 0.6362 0.4556 0.1276 0.029 Uiso 0.50 1 d PR . 1
C24A C 0.5429(3) 0.5293(6) 0.01525(19) 0.0410(15) Uani 0.50 1 d PDU . 1
O2WA O 0.1586(6) 0.3040(7) 0.0692(3) 0.0650(18) Uani 0.50 1 d P C 2
O3W O -0.1454(3) 0.3371(4) 0.41953(14) 0.0685(10) Uani 1 1 d . . .
O4W O 0.0598(4) 0.8134(6) 0.02432(17) 0.0769(16) Uani 0.75 1 d PU . .
O5W O -0.1307(3) 0.0536(3) 0.36063(15) 0.0602(9) Uani 1 1 d . . .
O6W O 0.0681(12) 0.5633(12) 0.0624(7) 0.070(3) Uani 0.25 1 d PU . .
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'
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'
P P 0.1023 0.0942 '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'
Zn Zn 0.2839 1.4301 '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
O11 Mo1 O12 103.91(10) . .
O11 Mo1 O4 103.66(11) . .
O12 Mo1 O4 98.94(10) . .
O11 Mo1 O14 101.27(11) . .
O12 Mo1 O14 100.80(10) . .
O4 Mo1 O14 143.23(8) . .
O11 Mo1 O6 90.47(9) . .
O12 Mo1 O6 165.03(9) . .
O4 Mo1 O6 73.20(8) . .
O14 Mo1 O6 80.04(8) . .
O11 Mo1 O3 169.97(9) . .
O12 Mo1 O3 84.41(9) . .
O4 Mo1 O3 80.18(8) . .
O14 Mo1 O3 71.28(8) . .
O6 Mo1 O3 81.72(6) . .
O19 Mo2 O20 102.84(12) . .
O19 Mo2 O10 102.79(10) . .
O20 Mo2 O10 101.89(10) . .
O19 Mo2 O2 100.34(10) . .
O20 Mo2 O2 98.31(9) . .
O10 Mo2 O2 144.85(9) . .
O19 Mo2 O1 87.38(9) . .
O20 Mo2 O1 166.28(8) . .
O10 Mo2 O1 84.44(8) . .
O2 Mo2 O1 70.52(7) . .
O19 Mo2 O5 172.57(9) . .
O20 Mo2 O5 83.45(10) . .
O10 Mo2 O5 79.47(8) . .
O2 Mo2 O5 74.59(8) . .
O1 Mo2 O5 85.80(7) . .
O17 Mo3 O23 102.35(11) . .
O17 Mo3 O9 101.59(11) . .
O23 Mo3 O9 102.21(12) . .
O17 Mo3 O10 101.62(11) . .
O23 Mo3 O10 97.23(12) . .
O9 Mo3 O10 145.58(8) . .
O17 Mo3 O7 86.86(10) . .
O23 Mo3 O7 170.31(9) . .
O9 Mo3 O7 78.54(9) . .
O10 Mo3 O7 77.73(8) . .
O17 Mo3 O8 169.14(10) . .
O23 Mo3 O8 85.03(9) . .
O9 Mo3 O8 68.75(8) . .
O10 Mo3 O8 85.14(8) . .
O7 Mo3 O8 86.29(7) . .
O21 Mo4 O22 104.08(13) . .
O21 Mo4 O9 100.89(10) . .
O22 Mo4 O9 96.75(10) . .
O21 Mo4 O4 95.44(10) . .
O22 Mo4 O4 101.00(10) . .
O9 Mo4 O4 152.13(10) . .
O21 Mo4 O8 98.32(11) . .
O22 Mo4 O8 156.81(11) . .
O9 Mo4 O8 72.88(8) . .
O4 Mo4 O8 82.58(8) . .
O21 Mo4 O6 165.08(9) . .
O22 Mo4 O6 86.49(11) . .
O9 Mo4 O6 88.05(8) . .
O4 Mo4 O6 71.90(8) . .
O8 Mo4 O6 72.73(8) . .
O16 Mo5 O15 104.34(11) . .
O16 Mo5 O2 98.68(10) . .
O15 Mo5 O2 99.69(10) . .
O16 Mo5 O14 100.53(10) . .
O15 Mo5 O14 94.68(10) . .
O2 Mo5 O14 152.30(9) . .
O16 Mo5 O1 160.61(10) . .
O15 Mo5 O1 94.55(9) . .
O2 Mo5 O1 73.44(7) . .
O14 Mo5 O1 81.96(7) . .
O16 Mo5 O3 87.52(10) . .
O15 Mo5 O3 165.23(9) . .
O2 Mo5 O3 86.94(8) . .
O14 Mo5 O3 74.20(8) . .
O1 Mo5 O3 74.57(7) . .
O2W Zn1 N16A 129.0(2) . .
O2W Zn1 N15A 91.7(2) . 2_665
N16A Zn1 N15A 68.90(18) . 2_665
O2W Zn1 O1W 103.9(2) . .
N16A Zn1 O1W 126.4(2) . .
N15A Zn1 O1W 106.2(2) 2_665 .
O2W Zn1 O18 99.62(17) . .
N16A Zn1 O18 83.72(15) . .
N15A Zn1 O18 151.38(16) 2_665 .
O1W Zn1 O18 96.55(18) . .
O2W Zn1 N15 91.5(2) . .
N16A Zn1 N15 78.25(19) . .
N15A Zn1 N15 12.1(2) 2_665 .
O1W Zn1 N15 94.5(3) . .
O18 Zn1 N15 161.97(16) . .
O2W Zn1 N16 126.0(2) . 2_665
N16A Zn1 N16 14.34(19) . 2_665
N15A Zn1 N16 82.23(18) 2_665 2_665
O1W Zn1 N16 129.4(2) . 2_665
O18 Zn1 N16 69.83(14) . 2_665
N15 Zn1 N16 92.15(18) . 2_665
O13 P1 O7 111.07(11) . .
O13 P1 O6 110.50(12) . .
O7 P1 O6 109.18(12) . .
O13 P1 O1 109.98(13) . .
O7 P1 O1 106.22(11) . .
O6 P1 O1 109.79(11) . .
O18 P2 O5 110.69(13) . .
O18 P2 O3 108.40(11) . .
O5 P2 O3 110.16(12) . .
O18 P2 O8 110.10(14) . .
O5 P2 O8 106.65(11) . .
O3 P2 O8 110.85(12) . .
P1 O1 Mo5 129.11(10) . .
P1 O1 Mo2 134.99(10) . .
Mo5 O1 Mo2 95.73(7) . .
Mo5 O2 Mo2 120.31(10) . .
P2 O3 Mo5 127.96(11) . .
P2 O3 Mo1 123.21(12) . .
Mo5 O3 Mo1 90.07(7) . .
Mo1 O4 Mo4 123.25(10) . .
P2 O5 Mo2 120.71(11) . .
P1 O6 Mo1 126.20(12) . .
P1 O6 Mo4 128.82(11) . .
Mo1 O6 Mo4 91.46(7) . .
P1 O7 Mo3 123.08(10) . .
P2 O8 Mo4 131.51(10) . .
P2 O8 Mo3 133.67(12) . .
Mo4 O8 Mo3 94.35(7) . .
Mo3 O9 Mo4 123.57(11) . .
Mo2 O10 Mo3 147.54(10) . .
Mo5 O14 Mo1 124.39(11) . .
P2 O18 Zn1 130.52(12) . .
C1 N1 C3 107.2(3) . .
C1 N1 H1A 126.4 . .
C3 N1 H1A 126.4 . .
C1 N2 C4 105.3(3) . .
C1 N2 H2A 127.3 . .
C4 N2 H2A 127.3 . .
C2 N3 C5 108.8(3) . .
C2 N3 H3A 125.6 . .
C5 N3 H3A 125.6 . .
C2 N4 C6 109.0(3) . .
C2 N4 H4A 125.5 . .
C6 N4 H4A 125.5 . .
C7 N5 C9 109.3(3) . .
C7 N5 H5A 125.3 . .
C9 N5 H5A 125.3 . .
C7 N6 C10 109.5(3) . .
C7 N6 H6A 125.3 . .
C10 N6 H6A 125.3 . .
C8 N7 C11 108.2(3) . .
C8 N7 H7A 125.9 . .
C11 N7 H7A 125.9 . .
C8 N8 C12 105.6(3) . .
C8 N8 H8A 127.2 . .
C12 N8 H8A 127.2 . .
C13 N9 C15 108.5(3) . .
C13 N9 H9A 125.8 . .
C15 N9 H9A 125.8 . .
C13 N10 C16 108.0(3) . .
C13 N10 H10A 126.0 . .
C16 N10 H10A 126.0 . .
C14 N11 C17 108.6(3) . .
C14 N11 H11A 125.7 . .
C17 N11 H11A 125.7 . .
C14 N12 C18 108.9(3) . .
C14 N12 H12A 125.6 . .
C18 N12 H12A 125.6 . .
C19 N13 C20 108.8(3) . .
C19 N13 H13A 125.6 . .
C20 N13 H13A 125.6 . .
C19 N14 C21 108.9(3) . .
C19 N14 H14A 125.6 . .
C21 N14 H14A 125.6 . .
N2 C1 N1 111.2(3) . .
N2 C1 C2 124.5(3) . .
N1 C1 C2 124.3(3) . .
N3 C2 N4 107.4(3) . .
N3 C2 C1 127.8(3) . .
N4 C2 C1 124.9(3) . .
N1 C3 C4 105.7(3) . .
N1 C3 H3B 127.1 . .
C4 C3 H3B 127.1 . .
N2 C4 C3 110.6(3) . .
N2 C4 H4B 124.7 . .
C3 C4 H4B 124.7 . .
C6 C5 N3 107.5(3) . .
C6 C5 H5B 126.2 . .
N3 C5 H5B 126.2 . .
C5 C6 N4 107.3(3) . .
C5 C6 H6B 126.3 . .
N4 C6 H6B 126.3 . .
N5 C7 N6 106.9(3) . .
N5 C7 C8 127.3(3) . .
N6 C7 C8 125.7(3) . .
N8 C8 N7 110.6(3) . .
N8 C8 C7 124.2(3) . .
N7 C8 C7 125.2(3) . .
C10 C9 N5 107.1(3) . .
C10 C9 H9B 126.4 . .
N5 C9 H9B 126.4 . .
C9 C10 N6 107.2(3) . .
C9 C10 H10B 126.4 . .
N6 C10 H10B 126.4 . .
C12 C11 N7 104.8(3) . .
C12 C11 H11B 127.6 . .
N7 C11 H11B 127.6 . .
C11 C12 N8 110.9(3) . .
C11 C12 H12B 124.5 . .
N8 C12 H12B 124.5 . .
N10 C13 N9 108.7(3) . .
N10 C13 C14 125.5(3) . .
N9 C13 C14 125.8(3) . .
N11 C14 N12 108.4(3) . .
N11 C14 C13 124.8(3) . .
N12 C14 C13 126.7(3) . .
C16 C15 N9 107.6(4) . .
C16 C15 H15A 126.2 . .
N9 C15 H15A 126.2 . .
C15 C16 N10 107.3(4) . .
C15 C16 H16B 126.4 . .
N10 C16 H16B 126.4 . .
C18 C17 N11 107.5(3) . .
C18 C17 H17A 126.3 . .
N11 C17 H17A 126.3 . .
C17 C18 N12 106.6(3) . .
C17 C18 H18A 126.7 . .
N12 C18 H18A 126.7 . .
N14 C19 N13 108.1(3) . .
N14 C19 C19 126.5(4) . 2_556
N13 C19 C19 125.4(4) . 2_556
C21 C20 N13 106.7(3) . .
C21 C20 H20A 126.7 . .
N13 C20 H20A 126.7 . .
C20 C21 N14 107.5(3) . .
C20 C21 H21A 126.2 . .
N14 C21 H21A 126.2 . .
N15A N15 C22A 113.8(13) 2_665 2_665
N15A N15 C24 58.7(9) 2_665 .
C22A N15 C24 83.2(5) 2_665 .
N15A N15 C22 140.5(13) 2_665 .
C22A N15 C22 30.0(5) 2_665 .
C24 N15 C22 109.5(6) . .
N15A N15 C24A 36.4(8) 2_665 2_665
C22A N15 C24A 97.2(5) 2_665 2_665
C24 N15 C24A 22.5(4) . 2_665
C22 N15 C24A 126.6(5) . 2_665
N15A N15 Zn1 61.8(10) 2_665 .
C22A N15 Zn1 161.8(6) 2_665 .
C24 N15 Zn1 106.3(4) . .
C22 N15 Zn1 144.1(4) . .
C24A N15 Zn1 87.9(3) 2_665 .
C23A N16 N16A 148.2(12) 2_665 2_665
C23A N16 C24 97.6(7) 2_665 .
N16A N16 C24 59.4(6) 2_665 .
C23A N16 C23 8.6(7) 2_665 .
N16A N16 C23 149.8(8) 2_665 .
C24 N16 C23 94.2(5) . .
C23A N16 C24A 110.1(8) 2_665 2_665
N16A N16 C24A 42.3(5) 2_665 2_665
C24 N16 C24A 19.6(4) . 2_665
C23 N16 C24A 108.8(4) . 2_665
C23A N16 C22A 38.5(6) 2_665 2_665
N16A N16 C22A 113.5(7) 2_665 2_665
C24 N16 C22A 59.2(3) . 2_665
C23 N16 C22A 36.6(4) . 2_665
C24A N16 C22A 72.2(3) 2_665 2_665
C23A N16 Zn1 160.2(8) 2_665 2_665
N16A N16 Zn1 41.5(5) 2_665 2_665
C24 N16 Zn1 99.1(4) . 2_665
C23 N16 Zn1 166.4(4) . 2_665
C24A N16 Zn1 83.6(2) 2_665 2_665
C22A N16 Zn1 154.6(4) 2_665 2_665
C22A C22 N15 54.9(8) 2_665 .
C22A C22 C23 52.8(8) 2_665 .
N15 C22 C23 99.8(6) . .
C22A C22 N15A 46.7(7) 2_665 2_665
N15 C22 N15A 10.1(4) . 2_665
C23 C22 N15A 95.1(5) . 2_665
C22A C22 C23A 34.3(8) 2_665 2_665
N15 C22 C23A 79.5(4) . 2_665
C23 C22 C23A 20.5(4) . 2_665
N15A C22 C23A 74.6(3) 2_665 2_665
C22A C22 H22A 159.1 2_665 .
N15 C22 H22A 127.6 . .
C23 C22 H22A 132.5 . .
N15A C22 H22A 132.2 2_665 .
C23A C22 H22A 152.8 2_665 .
C23A C23 C22A 93.8(9) 2_665 2_665
C23A C23 C22 121.5(10) 2_665 .
C22A C23 C22 29.3(5) 2_665 .
C23A C23 N16 7.2(6) 2_665 .
C22A C23 N16 92.9(7) 2_665 .
C22 C23 N16 119.1(7) . .
C23A C23 H23A 115.6 2_665 .
C22A C23 H23A 146.0 2_665 .
C22 C23 H23A 122.5 . .
N16 C23 H23A 118.4 . .
C24A C24 N16A 88.5(7) 2_665 2_665
C24A C24 N15A 88.9(7) 2_665 2_665
N16A C24 N15A 151.1(7) 2_665 2_665
C24A C24 N15 109.5(7) 2_665 .
N16A C24 N15 148.1(6) 2_665 .
N15A C24 N15 20.8(5) 2_665 .
C24A C24 N16 119.4(8) 2_665 .
N16A C24 N16 33.6(4) 2_665 .
N15A C24 N16 130.8(5) 2_665 .
N15 C24 N16 117.3(5) . .
C24A C24 C24A 39.0(7) 2_665 .
N16A C24 C24A 87.3(5) 2_665 .
N15A C24 C24A 108.0(5) 2_665 .
N15 C24 C24A 123.4(5) . .
N16 C24 C24A 119.3(5) . .
C24A C24 C23A 133.3(8) 2_665 2_665
N16A C24 C23A 56.7(4) 2_665 2_665
N15A C24 C23A 106.9(5) 2_665 2_665
N15 C24 C23A 93.0(4) . 2_665
N16 C24 C23A 24.4(3) . 2_665
C24A C24 C23A 143.6(4) . 2_665
C24A C24 C22A 129.9(8) 2_665 2_665
N16A C24 C22A 105.9(5) 2_665 2_665
N15A C24 C22A 56.0(4) 2_665 2_665
N15 C24 C22A 42.4(4) . 2_665
N16 C24 C22A 75.7(4) . 2_665
C24A C24 C22A 163.7(5) . 2_665
C23A C24 C22A 51.4(3) 2_665 2_665
C24A C24 C24 26.5(4) 2_665 2_665
N16A C24 C24 87.6(5) 2_665 2_665
N15A C24 C24 102.3(6) 2_665 2_665
N15 C24 C24 120.4(5) . 2_665
N16 C24 C24 121.0(5) . 2_665
C24A C24 C24 12.4(3) . 2_665
C23A C24 C24 143.8(5) 2_665 2_665
C22A C24 C24 154.3(6) 2_665 2_665
N15 N15A C24 100.6(11) 2_665 2_665
N15 N15A C24A 131.3(12) 2_665 .
C24 N15A C24A 30.9(4) 2_665 .
N15 N15A C22A 47.5(10) 2_665 .
C24 N15A C22A 79.6(5) 2_665 .
C24A N15A C22A 104.0(5) . .
N15 N15A C22 29.4(10) 2_665 2_665
C24 N15A C22 95.7(5) 2_665 2_665
C24A N15A C22 123.4(5) . 2_665
C22A N15A C22 21.0(4) . 2_665
N15 N15A Zn1 106.1(11) 2_665 2_665
C24 N15A Zn1 127.7(4) 2_665 2_665
C24A N15A Zn1 107.0(3) . 2_665
C22A N15A Zn1 148.7(4) . 2_665
C22 N15A Zn1 128.1(3) 2_665 2_665
N16 N16A C24 87.0(7) 2_665 2_665
N16 N16A C24A 115.7(7) 2_665 .
C24 N16A C24A 31.0(4) 2_665 .
N16 N16A C23A 14.9(5) 2_665 .
C24 N16A C23A 77.3(5) 2_665 .
C24A N16A C23A 103.4(4) . .
N16 N16A C24A 136.4(7) 2_665 2_665
C24 N16A C24A 52.5(4) 2_665 2_665
C24A N16A C24A 32.9(3) . 2_665
C23A N16A C24A 129.5(4) . 2_665
N16 N16A Zn1 124.2(6) 2_665 .
C24 N16A Zn1 144.1(4) 2_665 .
C24A N16A Zn1 119.8(4) . .
C23A N16A Zn1 136.7(4) . .
C24A N16A Zn1 92.1(2) 2_665 .
C22 C22A C23 97.8(11) 2_665 2_665
C22 C22A N15 95.1(9) 2_665 2_665
C23 C22A N15 140.4(7) 2_665 2_665
C22 C22A N15A 112.2(9) 2_665 .
C23 C22A N15A 138.1(6) 2_665 .
N15 C22A N15A 18.7(5) 2_665 .
C22 C22A C23A 129.8(11) 2_665 .
C23 C22A C23A 34.0(4) 2_665 .
N15 C22A C23A 115.4(5) 2_665 .
N15A C22A C23A 106.2(5) . .
C22 C22A C24 139.8(10) 2_665 2_665
C23 C22A C24 93.8(5) 2_665 2_665
N15 C22A C24 54.4(4) 2_665 2_665
N15A C22A C24 44.4(3) . 2_665
C23A C22A C24 62.2(4) . 2_665
C22 C22A N16 141.1(11) 2_665 2_665
C23 C22A N16 50.5(4) 2_665 2_665
N15 C22A N16 98.9(5) 2_665 2_665
N15A C22A N16 89.1(4) . 2_665
C23A C22A N16 17.1(3) . 2_665
C24 C22A N16 45.1(2) 2_665 2_665
C22 C22A H22D 36.3 2_665 .
C23 C22A H22D 92.5 2_665 .
N15 C22A H22D 118.8 2_665 .
N15A C22A H22D 129.0 . .
C23A C22A H22D 124.6 . .
C24 C22A H22D 173.2 2_665 .
N16 C22A H22D 141.7 2_665 .
N16 C23A C23 164.1(13) 2_665 2_665
N16 C23A N16A 16.9(7) 2_665 .
C23 C23A N16A 160.9(8) 2_665 .
N16 C23A C22A 124.3(8) 2_665 .
C23 C23A C22A 52.2(7) 2_665 .
N16A C23A C22A 110.2(5) . .
N16 C23A C24 58.0(6) 2_665 2_665
C23 C23A C24 114.9(8) 2_665 2_665
N16A C23A C24 46.0(3) . 2_665
C22A C23A C24 66.5(4) . 2_665
N16 C23A C22 135.2(8) 2_665 2_665
C23 C23A C22 38.0(6) 2_665 2_665
N16A C23A C22 123.4(4) . 2_665
C22A C23A C22 15.9(4) . 2_665
C24 C23A C22 77.8(4) 2_665 2_665
N16 C23A H23D 108.3 2_665 .
C23 C23A H23D 74.9 2_665 .
N16A C23A H23D 123.1 . .
C22A C23A H23D 126.7 . .
C24 C23A H23D 161.5 2_665 .
C22 C23A H23D 112.8 2_665 .
C24 C24A C24A 115.2(11) 2_665 2_665
C24 C24A N16A 60.5(6) 2_665 .
C24A C24A N16A 100.2(6) 2_665 .
C24 C24A N15A 60.2(6) 2_665 .
C24A C24A N15A 128.1(7) 2_665 .
N16A C24A N15A 114.7(5) . .
C24 C24A C24 141.0(7) 2_665 .
C24A C24A C24 25.8(6) 2_665 .
N16A C24A C24 111.1(4) . .
N15A C24A C24 131.9(4) . .
C24 C24A N15 48.0(5) 2_665 2_665
C24A C24A N15 127.9(8) 2_665 2_665
N16A C24A N15 104.3(4) . 2_665
N15A C24A N15 12.3(4) . 2_665
C24 C24A N15 138.5(4) . 2_665
C24 C24A N16 41.0(6) 2_665 2_665
C24A C24A N16 115.9(7) 2_665 2_665
N16A C24A N16 22.1(3) . 2_665
N15A C24A N16 92.7(4) . 2_665
C24 C24A N16 131.8(4) . 2_665
N15 C24A N16 82.3(3) 2_665 2_665
C24 C24A N16A 126.9(7) 2_665 2_665
C24A C24A N16A 46.9(4) 2_665 2_665
N16A C24A N16A 147.1(3) . 2_665
N15A C24A N16A 91.7(4) . 2_665
C24 C24A N16A 40.2(3) . 2_665
N15 C24A N16A 98.9(4) 2_665 2_665
N16 C24A N16A 158.2(4) 2_665 2_665
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O11 1.699(2) .
Mo1 O12 1.708(2) .
Mo1 O4 1.901(2) .
Mo1 O14 1.923(2) .
Mo1 O6 2.3319(17) .
Mo1 O3 2.461(2) .
Mo2 O19 1.707(2) .
Mo2 O20 1.712(2) .
Mo2 O10 1.873(2) .
Mo2 O2 1.9482(17) .
Mo2 O1 2.2925(19) .
Mo2 O5 2.349(2) .
Mo3 O17 1.696(2) .
Mo3 O23 1.707(3) .
Mo3 O9 1.910(2) .
Mo3 O10 1.949(2) .
Mo3 O7 2.240(2) .
Mo3 O8 2.3944(17) .
Mo4 O21 1.703(3) .
Mo4 O22 1.722(3) .
Mo4 O9 1.9224(19) .
Mo4 O4 1.9255(18) .
Mo4 O8 2.207(2) .
Mo4 O6 2.370(2) .
Mo5 O16 1.710(2) .
Mo5 O15 1.724(2) .
Mo5 O2 1.8967(19) .
Mo5 O14 1.919(2) .
Mo5 O1 2.2039(17) .
Mo5 O3 2.341(2) .
Zn1 O2W 1.998(4) .
Zn1 N16A 2.008(5) .
Zn1 N15A 2.037(5) 2_665
Zn1 O1W 2.055(6) .
Zn1 O18 2.126(2) .
Zn1 N15 2.221(7) .
Zn1 N16 2.508(5) 2_665
P1 O13 1.516(2) .
P1 O7 1.5320(18) .
P1 O6 1.538(2) .
P1 O1 1.551(2) .
P2 O18 1.523(2) .
P2 O5 1.531(2) .
P2 O3 1.545(2) .
P2 O8 1.549(2) .
N1 C1 1.353(4) .
N1 C3 1.357(4) .
N1 H1A 0.8600 .
N2 C1 1.315(4) .
N2 C4 1.356(5) .
N2 H2A 0.8600 .
N3 C2 1.325(4) .
N3 C5 1.375(5) .
N3 H3A 0.8600 .
N4 C2 1.334(4) .
N4 C6 1.366(5) .
N4 H4A 0.8600 .
N5 C7 1.332(4) .
N5 C9 1.373(4) .
N5 H5A 0.8600 .
N6 C7 1.335(4) .
N6 C10 1.368(5) .
N6 H6A 0.8600 .
N7 C8 1.350(4) .
N7 C11 1.361(4) .
N7 H7A 0.8600 .
N8 C8 1.308(4) .
N8 C12 1.361(4) .
N8 H8A 0.8600 .
N9 C13 1.335(4) .
N9 C15 1.355(6) .
N9 H9A 0.8600 .
N10 C13 1.320(4) .
N10 C16 1.377(5) .
N10 H10A 0.8600 .
N11 C14 1.318(4) .
N11 C17 1.371(5) .
N11 H11A 0.8600 .
N12 C14 1.328(4) .
N12 C18 1.370(5) .
N12 H12A 0.8600 .
N13 C19 1.341(4) .
N13 C20 1.363(5) .
N13 H13A 0.8600 .
N14 C19 1.326(4) .
N14 C21 1.361(5) .
N14 H14A 0.8600 .
C1 C2 1.436(5) .
C3 C4 1.358(5) .
C3 H3B 0.9300 .
C4 H4B 0.9300 .
C5 C6 1.321(6) .
C5 H5B 0.9300 .
C6 H6B 0.9300 .
C7 C8 1.436(4) .
C9 C10 1.335(6) .
C9 H9B 0.9300 .
C10 H10B 0.9300 .
C11 C12 1.352(5) .
C11 H11B 0.9300 .
C12 H12B 0.9300 .
C13 C14 1.449(5) .
C15 C16 1.338(5) .
C15 H15A 0.9300 .
C16 H16B 0.9300 .
C17 C18 1.344(4) .
C17 H17A 0.9300 .
C18 H18A 0.9300 .
C19 C19 1.432(7) 2_556
C20 C21 1.357(6) .
C20 H20A 0.9300 .
C21 H21A 0.9300 .
N15 C24 1.346(7) .
N15 C22 1.358(7) .
N16 C24 1.356(6) .
N16 C23 1.433(7) .
N16 Zn1 2.508(5) 2_665
C22 C23 1.378(8) .
C22 H22A 0.9300 .
C23 H23A 0.9300 .
C24 C24A 1.437(7) .
N15A C24A 1.347(5) .
N15A C22A 1.385(7) .
N15A Zn1 2.037(5) 2_665
N16A C24A 1.342(5) .
N16A C23A 1.358(6) .
C22A C23A 1.400(7) .
C22A H22D 0.9299 .
C23A H23D 0.9299 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1 H1A O5 0.86 2.09 2.886(4) 153.7 .
N1 H1A O2 0.86 2.31 2.967(3) 133.2 .
N2 H2A O4W 0.86 2.32 2.972(5) 133.1 2_665
N3 H3A O5 0.86 1.93 2.756(4) 160.1 .
N4 H4A O20 0.86 1.98 2.745(4) 147.7 2_655
N5 H5A O15 0.86 1.92 2.738(3) 159.0 .
N6 H6A O3W 0.86 1.94 2.759(4) 158.2 2_556
N7 H7A O15 0.86 2.20 2.993(4) 152.6 .
N7 H7A O14 0.86 2.31 2.972(4) 133.5 .
N8 H8A O5W 0.86 2.16 2.849(4) 136.6 2_556
N9 H9A O5W 0.86 1.93 2.693(4) 147.3 1_665
N10 H10A O18 0.86 1.76 2.610(3) 168.2 .
N11 H11A O7 0.86 1.74 2.594(3) 173.2 1_665
N12 H12A O3 0.86 2.14 3.002(3) 176.5 .
N13 H13A O13 0.86 2.02 2.810(4) 151.5 2_556
N14 H14A O13 0.86 1.75 2.574(3) 160.3 .
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_4
O13 P1 O1 Mo5 -67.10(16) . .
O7 P1 O1 Mo5 172.63(14) . .
O6 P1 O1 Mo5 54.70(18) . .
O13 P1 O1 Mo2 118.68(16) . .
O7 P1 O1 Mo2 -1.6(2) . .
O6 P1 O1 Mo2 -119.51(16) . .
O16 Mo5 O1 P1 -107.7(3) . .
O15 Mo5 O1 P1 85.27(16) . .
O2 Mo5 O1 P1 -175.96(17) . .
O14 Mo5 O1 P1 -8.82(15) . .
O3 Mo5 O1 P1 -84.57(15) . .
O16 Mo5 O1 Mo2 68.2(3) . .
O15 Mo5 O1 Mo2 -98.83(10) . .
O2 Mo5 O1 Mo2 -0.06(8) . .
O14 Mo5 O1 Mo2 167.07(9) . .
O3 Mo5 O1 Mo2 91.33(8) . .
O19 Mo2 O1 P1 -82.51(18) . .
O20 Mo2 O1 P1 138.9(4) . .
O10 Mo2 O1 P1 20.62(17) . .
O2 Mo2 O1 P1 175.56(19) . .
O5 Mo2 O1 P1 100.42(17) . .
O19 Mo2 O1 Mo5 101.99(9) . .
O20 Mo2 O1 Mo5 -36.6(5) . .
O10 Mo2 O1 Mo5 -154.88(9) . .
O2 Mo2 O1 Mo5 0.06(8) . .
O5 Mo2 O1 Mo5 -75.07(8) . .
O16 Mo5 O2 Mo2 -161.74(13) . .
O15 Mo5 O2 Mo2 91.99(13) . .
O14 Mo5 O2 Mo2 -28.2(3) . .
O1 Mo5 O2 Mo2 0.08(11) . .
O3 Mo5 O2 Mo2 -74.72(12) . .
O19 Mo2 O2 Mo5 -83.54(14) . .
O20 Mo2 O2 Mo5 171.69(14) . .
O10 Mo2 O2 Mo5 47.0(2) . .
O1 Mo2 O2 Mo5 -0.08(10) . .
O5 Mo2 O2 Mo5 90.88(13) . .
O18 P2 O3 Mo5 -149.21(15) . .
O5 P2 O3 Mo5 -27.96(17) . .
O8 P2 O3 Mo5 89.84(16) . .
O18 P2 O3 Mo1 89.94(15) . .
O5 P2 O3 Mo1 -148.81(11) . .
O8 P2 O3 Mo1 -31.00(16) . .
O16 Mo5 O3 P2 125.68(16) . .
O15 Mo5 O3 P2 -90.4(3) . .
O2 Mo5 O3 P2 26.84(15) . .
O14 Mo5 O3 P2 -132.65(16) . .
O1 Mo5 O3 P2 -46.82(14) . .
O16 Mo5 O3 Mo1 -100.24(9) . .
O15 Mo5 O3 Mo1 43.7(3) . .
O2 Mo5 O3 Mo1 160.93(7) . .
O14 Mo5 O3 Mo1 1.43(6) . .
O1 Mo5 O3 Mo1 87.27(7) . .
O11 Mo1 O3 P2 92.9(6) . .
O12 Mo1 O3 P2 -120.65(15) . .
O4 Mo1 O3 P2 -20.55(12) . .
O14 Mo1 O3 P2 135.94(13) . .
O6 Mo1 O3 P2 53.72(12) . .
O11 Mo1 O3 Mo5 -44.5(6) . .
O12 Mo1 O3 Mo5 101.96(10) . .
O4 Mo1 O3 Mo5 -157.94(7) . .
O14 Mo1 O3 Mo5 -1.45(6) . .
O6 Mo1 O3 Mo5 -83.68(7) . .
O11 Mo1 O4 Mo4 -82.25(14) . .
O12 Mo1 O4 Mo4 170.97(13) . .
O14 Mo1 O4 Mo4 49.2(2) . .
O6 Mo1 O4 Mo4 4.05(11) . .
O3 Mo1 O4 Mo4 88.29(12) . .
O21 Mo4 O4 Mo1 -175.91(14) . .
O22 Mo4 O4 Mo1 78.58(15) . .
O9 Mo4 O4 Mo1 -50.0(3) . .
O8 Mo4 O4 Mo1 -78.20(13) . .
O6 Mo4 O4 Mo1 -4.01(11) . .
O18 P2 O5 Mo2 178.91(12) . .
O3 P2 O5 Mo2 59.04(14) . .
O8 P2 O5 Mo2 -61.33(15) . .
O19 Mo2 O5 P2 -31.3(8) . .
O20 Mo2 O5 P2 -179.42(15) . .
O10 Mo2 O5 P2 77.15(13) . .
O2 Mo2 O5 P2 -78.89(13) . .
O1 Mo2 O5 P2 -7.96(13) . .
O13 P1 O6 Mo1 83.81(16) . .
O7 P1 O6 Mo1 -153.75(12) . .
O1 P1 O6 Mo1 -37.68(17) . .
O13 P1 O6 Mo4 -147.18(13) . .
O7 P1 O6 Mo4 -24.75(17) . .
O1 P1 O6 Mo4 91.33(15) . .
O11 Mo1 O6 P1 -115.88(16) . .
O12 Mo1 O6 P1 80.0(4) . .
O4 Mo1 O6 P1 139.98(16) . .
O14 Mo1 O6 P1 -14.52(14) . .
O3 Mo1 O6 P1 57.80(14) . .
O11 Mo1 O6 Mo4 101.39(11) . .
O12 Mo1 O6 Mo4 -62.7(4) . .
O4 Mo1 O6 Mo4 -2.75(8) . .
O14 Mo1 O6 Mo4 -157.25(8) . .
O3 Mo1 O6 Mo4 -84.92(7) . .
O21 Mo4 O6 P1 -105.4(4) . .
O22 Mo4 O6 P1 118.80(15) . .
O9 Mo4 O6 P1 21.91(15) . .
O4 Mo4 O6 P1 -138.42(16) . .
O8 Mo4 O6 P1 -50.75(14) . .
O21 Mo4 O6 Mo1 35.7(4) . .
O22 Mo4 O6 Mo1 -100.04(9) . .
O9 Mo4 O6 Mo1 163.07(9) . .
O4 Mo4 O6 Mo1 2.73(8) . .
O8 Mo4 O6 Mo1 90.40(7) . .
O13 P1 O7 Mo3 -178.48(13) . .
O6 P1 O7 Mo3 59.42(16) . .
O1 P1 O7 Mo3 -58.91(16) . .
O17 Mo3 O7 P1 178.12(16) . .
O23 Mo3 O7 P1 16.1(7) . .
O9 Mo3 O7 P1 -79.38(14) . .
O10 Mo3 O7 P1 75.51(14) . .
O8 Mo3 O7 P1 -10.32(14) . .
O18 P2 O8 Mo4 -66.23(19) . .
O5 P2 O8 Mo4 173.62(15) . .
O3 P2 O8 Mo4 53.7(2) . .
O18 P2 O8 Mo3 123.66(16) . .
O5 P2 O8 Mo3 3.5(2) . .
O3 P2 O8 Mo3 -116.40(16) . .
O21 Mo4 O8 P2 83.98(18) . .
O22 Mo4 O8 P2 -111.1(2) . .
O9 Mo4 O8 P2 -177.1(2) . .
O4 Mo4 O8 P2 -10.47(17) . .
O6 Mo4 O8 P2 -83.76(17) . .
O21 Mo4 O8 Mo3 -103.18(9) . .
O22 Mo4 O8 Mo3 61.7(2) . .
O9 Mo4 O8 Mo3 -4.28(9) . .
O4 Mo4 O8 Mo3 162.37(9) . .
O6 Mo4 O8 Mo3 89.08(7) . .
O17 Mo3 O8 P2 148.9(5) . .
O23 Mo3 O8 P2 -77.84(19) . .
O9 Mo3 O8 P2 177.0(2) . .
O10 Mo3 O8 P2 19.88(17) . .
O7 Mo3 O8 P2 97.86(18) . .
O17 Mo3 O8 Mo4 -23.7(6) . .
O23 Mo3 O8 Mo4 109.58(12) . .
O9 Mo3 O8 Mo4 4.42(9) . .
O10 Mo3 O8 Mo4 -152.71(9) . .
O7 Mo3 O8 Mo4 -74.72(8) . .
O17 Mo3 O9 Mo4 168.73(15) . .
O23 Mo3 O9 Mo4 -85.75(16) . .
O10 Mo3 O9 Mo4 37.2(3) . .
O7 Mo3 O9 Mo4 84.38(14) . .
O8 Mo3 O9 Mo4 -6.07(12) . .
O21 Mo4 O9 Mo3 101.87(16) . .
O22 Mo4 O9 Mo3 -152.33(16) . .
O4 Mo4 O9 Mo3 -22.9(3) . .
O8 Mo4 O9 Mo3 6.43(13) . .
O6 Mo4 O9 Mo3 -66.09(15) . .
O19 Mo2 O10 Mo3 115.8(2) . .
O20 Mo2 O10 Mo3 -137.9(2) . .
O2 Mo2 O10 Mo3 -14.2(3) . .
O1 Mo2 O10 Mo3 29.7(2) . .
O5 Mo2 O10 Mo3 -57.0(2) . .
O17 Mo3 O10 Mo2 -145.0(2) . .
O23 Mo3 O10 Mo2 110.8(2) . .
O9 Mo3 O10 Mo2 -13.4(3) . .
O7 Mo3 O10 Mo2 -60.8(2) . .
O8 Mo3 O10 Mo2 26.4(2) . .
O16 Mo5 O14 Mo1 82.13(13) . .
O15 Mo5 O14 Mo1 -172.33(12) . .
O2 Mo5 O14 Mo1 -51.0(2) . .
O1 Mo5 O14 Mo1 -78.38(11) . .
O3 Mo5 O14 Mo1 -2.22(10) . .
O11 Mo1 O14 Mo5 175.19(11) . .
O12 Mo1 O14 Mo5 -78.10(13) . .
O4 Mo1 O14 Mo5 43.2(2) . .
O6 Mo1 O14 Mo5 86.71(11) . .
O3 Mo1 O14 Mo5 2.15(9) . .
O5 P2 O18 Zn1 63.4(2) . .
O3 P2 O18 Zn1 -175.70(17) . .
O8 P2 O18 Zn1 -54.3(2) . .
O2W Zn1 O18 P2 -4.0(3) . .
N16A Zn1 O18 P2 -132.7(3) . .
N15A Zn1 O18 P2 -115.9(4) 2_665 .
O1W Zn1 O18 P2 101.3(2) . .
N15 Zn1 O18 P2 -131.3(6) . .
N16 Zn1 O18 P2 -129.0(3) 2_665 .
C4 N2 C1 N1 0.0(4) . .
C4 N2 C1 C2 -180.0(3) . .
C3 N1 C1 N2 -0.6(4) . .
C3 N1 C1 C2 179.4(3) . .
C5 N3 C2 N4 0.4(4) . .
C5 N3 C2 C1 -179.6(3) . .
C6 N4 C2 N3 -0.1(4) . .
C6 N4 C2 C1 179.9(3) . .
N2 C1 C2 N3 -177.5(3) . .
N1 C1 C2 N3 2.6(6) . .
N2 C1 C2 N4 2.5(6) . .
N1 C1 C2 N4 -177.4(3) . .
C1 N1 C3 C4 0.9(4) . .
C1 N2 C4 C3 0.7(4) . .
N1 C3 C4 N2 -1.0(4) . .
C2 N3 C5 C6 -0.6(4) . .
N3 C5 C6 N4 0.5(5) . .
C2 N4 C6 C5 -0.2(5) . .
C9 N5 C7 N6 0.4(4) . .
C9 N5 C7 C8 -179.9(4) . .
C10 N6 C7 N5 0.2(4) . .
C10 N6 C7 C8 -179.5(3) . .
C12 N8 C8 N7 0.0(4) . .
C12 N8 C8 C7 179.9(3) . .
C11 N7 C8 N8 -0.5(4) . .
C11 N7 C8 C7 179.6(3) . .
N5 C7 C8 N8 178.6(3) . .
N6 C7 C8 N8 -1.8(6) . .
N5 C7 C8 N7 -1.5(6) . .
N6 C7 C8 N7 178.1(3) . .
C7 N5 C9 C10 -0.8(5) . .
N5 C9 C10 N6 1.0(5) . .
C7 N6 C10 C9 -0.8(5) . .
C8 N7 C11 C12 0.7(4) . .
N7 C11 C12 N8 -0.8(5) . .
C8 N8 C12 C11 0.5(5) . .
C16 N10 C13 N9 -0.7(4) . .
C16 N10 C13 C14 -177.5(3) . .
C15 N9 C13 N10 0.4(4) . .
C15 N9 C13 C14 177.2(3) . .
C17 N11 C14 N12 0.5(4) . .
C17 N11 C14 C13 -177.5(3) . .
C18 N12 C14 N11 -0.2(4) . .
C18 N12 C14 C13 177.7(3) . .
N10 C13 C14 N11 149.2(3) . .
N9 C13 C14 N11 -27.1(5) . .
N10 C13 C14 N12 -28.3(5) . .
N9 C13 C14 N12 155.3(3) . .
C13 N9 C15 C16 0.1(5) . .
N9 C15 C16 N10 -0.5(5) . .
C13 N10 C16 C15 0.8(5) . .
C14 N11 C17 C18 -0.6(4) . .
N11 C17 C18 N12 0.4(4) . .
C14 N12 C18 C17 -0.1(4) . .
C21 N14 C19 N13 0.3(4) . .
C21 N14 C19 C19 179.9(5) . 2_556
C20 N13 C19 N14 -0.4(4) . .
C20 N13 C19 C19 -180.0(4) . 2_556
C19 N13 C20 C21 0.3(5) . .
N13 C20 C21 N14 -0.1(5) . .
C19 N14 C21 C20 -0.1(5) . .
O2W Zn1 N15 N15A -91.1(10) . 2_665
N16A Zn1 N15 N15A 38.5(10) . 2_665
O1W Zn1 N15 N15A 164.8(10) . 2_665
O18 Zn1 N15 N15A 37.1(14) . 2_665
N16 Zn1 N15 N15A 35.0(10) 2_665 2_665
O2W Zn1 N15 C22A -11(2) . 2_665
N16A Zn1 N15 C22A 119(2) . 2_665
N15A Zn1 N15 C22A 80(2) 2_665 2_665
O1W Zn1 N15 C22A -115(2) . 2_665
O18 Zn1 N15 C22A 117.6(17) . 2_665
N16 Zn1 N15 C22A 115(2) 2_665 2_665
O2W Zn1 N15 C24 -130.6(5) . .
N16A Zn1 N15 C24 -0.9(5) . .
N15A Zn1 N15 C24 -39.4(9) 2_665 .
O1W Zn1 N15 C24 125.3(5) . .
O18 Zn1 N15 C24 -2.3(10) . .
N16 Zn1 N15 C24 -4.5(5) 2_665 .
O2W Zn1 N15 C22 47.6(10) . .
N16A Zn1 N15 C22 177.2(10) . .
N15A Zn1 N15 C22 138.7(17) 2_665 .
O1W Zn1 N15 C22 -56.5(10) . .
O18 Zn1 N15 C22 175.8(7) . .
N16 Zn1 N15 C22 173.7(10) 2_665 .
O2W Zn1 N15 C24A -117.6(3) . 2_665
N16A Zn1 N15 C24A 12.0(3) . 2_665
N15A Zn1 N15 C24A -26.5(9) 2_665 2_665
O1W Zn1 N15 C24A 138.3(3) . 2_665
O18 Zn1 N15 C24A 10.6(8) . 2_665
N16 Zn1 N15 C24A 8.5(3) 2_665 2_665
N15A N15 C22 C22A -34(2) 2_665 2_665
C24 N15 C22 C22A 30.2(11) . 2_665
C24A N15 C22 C22A 13.5(12) 2_665 2_665
Zn1 N15 C22 C22A -147.9(12) . 2_665
N15A N15 C22 C23 -63.4(19) 2_665 .
C22A N15 C22 C23 -29.5(9) 2_665 .
C24 N15 C22 C23 0.7(9) . .
C24A N15 C22 C23 -16.0(9) 2_665 .
Zn1 N15 C22 C23 -177.5(8) . .
C22A N15 C22 N15A 34(2) 2_665 2_665
C24 N15 C22 N15A 64.1(17) . 2_665
C24A N15 C22 N15A 47.4(16) 2_665 2_665
Zn1 N15 C22 N15A -114(2) . 2_665
N15A N15 C22 C23A -60.1(18) 2_665 2_665
C22A N15 C22 C23A -26.2(9) 2_665 2_665
C24 N15 C22 C23A 3.9(6) . 2_665
C24A N15 C22 C23A -12.7(7) 2_665 2_665
Zn1 N15 C22 C23A -174.2(8) . 2_665
C22A C22 C23 C23A -21.2(13) 2_665 2_665
N15 C22 C23 C23A 9.2(13) . 2_665
N15A C22 C23 C23A 0.2(12) 2_665 2_665
N15 C22 C23 C22A 30.4(9) . 2_665
N15A C22 C23 C22A 21.3(8) 2_665 2_665
C23A C22 C23 C22A 21.2(13) 2_665 2_665
C22A C22 C23 N16 -29.1(11) 2_665 .
N15 C22 C23 N16 1.3(10) . .
N15A C22 C23 N16 -7.8(9) 2_665 .
C23A C22 C23 N16 -7.9(7) 2_665 .
N16A N16 C23 C23A -86(5) 2_665 2_665
C24 N16 C23 C23A -114(5) . 2_665
C24A N16 C23 C23A -100(5) 2_665 2_665
C22A N16 C23 C23A -97(5) 2_665 2_665
Zn1 N16 C23 C23A 55(5) 2_665 2_665
C23A N16 C23 C22A 97(5) 2_665 2_665
N16A N16 C23 C22A 11(2) 2_665 2_665
C24 N16 C23 C22A -16.3(8) . 2_665
C24A N16 C23 C22A -3.0(8) 2_665 2_665
Zn1 N16 C23 C22A 152(2) 2_665 2_665
C23A N16 C23 C22 111(5) 2_665 .
N16A N16 C23 C22 25(2) 2_665 .
C24 N16 C23 C22 -2.5(9) . .
C24A N16 C23 C22 10.8(10) 2_665 .
C22A N16 C23 C22 13.8(6) 2_665 .
Zn1 N16 C23 C22 165.5(19) 2_665 .
N15A N15 C24 C24A -5.0(13) 2_665 2_665
C22A N15 C24 C24A -128.3(9) 2_665 2_665
C22 N15 C24 C24A -143.0(8) . 2_665
Zn1 N15 C24 C24A 35.9(8) . 2_665
N15A N15 C24 N16A 116.0(17) 2_665 2_665
C22A N15 C24 N16A -7.2(16) 2_665 2_665
C22 N15 C24 N16A -21.9(17) . 2_665
C24A N15 C24 N16A 121.1(18) 2_665 2_665
Zn1 N15 C24 N16A 157.0(12) . 2_665
C22A N15 C24 N15A -123.3(13) 2_665 2_665
C22 N15 C24 N15A -137.9(14) . 2_665
C24A N15 C24 N15A 5.0(13) 2_665 2_665
Zn1 N15 C24 N15A 40.9(10) . 2_665
N15A N15 C24 N16 135.3(12) 2_665 .
C22A N15 C24 N16 12.1(9) 2_665 .
C22 N15 C24 N16 -2.6(9) . .
C24A N15 C24 N16 140.4(12) 2_665 .
Zn1 N15 C24 N16 176.3(5) . .
N15A N15 C24 C24A -46.1(13) 2_665 .
C22A N15 C24 C24A -169.4(8) 2_665 .
C22 N15 C24 C24A 176.0(7) . .
C24A N15 C24 C24A -41.1(8) 2_665 .
Zn1 N15 C24 C24A -5.2(8) . .
N15A N15 C24 C23A 133.3(11) 2_665 2_665
C22A N15 C24 C23A 10.0(6) 2_665 2_665
C22 N15 C24 C23A -4.7(7) . 2_665
C24A N15 C24 C23A 138.3(9) 2_665 2_665
Zn1 N15 C24 C23A 174.2(4) . 2_665
N15A N15 C24 C22A 123.3(13) 2_665 2_665
C22 N15 C24 C22A -14.7(6) . 2_665
C24A N15 C24 C22A 128.3(9) 2_665 2_665
Zn1 N15 C24 C22A 164.2(8) . 2_665
N15A N15 C24 C24 -31.9(13) 2_665 2_665
C22A N15 C24 C24 -155.2(8) 2_665 2_665
C22 N15 C24 C24 -169.8(7) . 2_665
C24A N15 C24 C24 -26.9(5) 2_665 2_665
Zn1 N15 C24 C24 9.0(8) . 2_665
C23A N16 C24 C24A 131.3(11) 2_665 2_665
N16A N16 C24 C24A -25.2(10) 2_665 2_665
C23 N16 C24 C24A 139.3(8) . 2_665
C22A N16 C24 C24A 128.0(9) 2_665 2_665
Zn1 N16 C24 C24A -37.9(8) 2_665 2_665
C23A N16 C24 N16A 156.5(13) 2_665 2_665
C23 N16 C24 N16A 164.4(9) . 2_665
C24A N16 C24 N16A 25.2(10) 2_665 2_665
C22A N16 C24 N16A 153.2(8) 2_665 2_665
Zn1 N16 C24 N16A -12.7(6) 2_665 2_665
C23A N16 C24 N15A 14.2(14) 2_665 2_665
N16A N16 C24 N15A -142.3(11) 2_665 2_665
C23 N16 C24 N15A 22.1(11) . 2_665
C24A N16 C24 N15A -117.2(14) 2_665 2_665
C22A N16 C24 N15A 10.8(8) 2_665 2_665
Zn1 N16 C24 N15A -155.1(8) 2_665 2_665
C23A N16 C24 N15 -5.1(12) 2_665 .
N16A N16 C24 N15 -161.5(9) 2_665 .
C23 N16 C24 N15 2.9(8) . .
C24A N16 C24 N15 -136.4(12) 2_665 .
C22A N16 C24 N15 -8.4(6) 2_665 .
Zn1 N16 C24 N15 -174.3(6) 2_665 .
C23A N16 C24 C24A 176.3(9) 2_665 .
N16A N16 C24 C24A 19.8(9) 2_665 .
C23 N16 C24 C24A -175.7(7) . .
C24A N16 C24 C24A 45.0(8) 2_665 .
C22A N16 C24 C24A 173.0(8) 2_665 .
Zn1 N16 C24 C24A 7.1(7) 2_665 .
N16A N16 C24 C23A -156.5(13) 2_665 2_665
C23 N16 C24 C23A 8.0(8) . 2_665
C24A N16 C24 C23A -131.3(11) 2_665 2_665
C22A N16 C24 C23A -3.3(9) 2_665 2_665
Zn1 N16 C24 C23A -169.2(10) 2_665 2_665
C23A N16 C24 C22A 3.3(9) 2_665 2_665
N16A N16 C24 C22A -153.2(8) 2_665 2_665
C23 N16 C24 C22A 11.3(5) . 2_665
C24A N16 C24 C22A -128.0(9) 2_665 2_665
Zn1 N16 C24 C22A -165.9(4) 2_665 2_665
C23A N16 C24 C24 162.1(9) 2_665 2_665
N16A N16 C24 C24 5.6(9) 2_665 2_665
C23 N16 C24 C24 170.1(7) . 2_665
C24A N16 C24 C24 30.8(5) 2_665 2_665
C22A N16 C24 C24 158.8(8) 2_665 2_665
Zn1 N16 C24 C24 -7.1(7) 2_665 2_665
O2W Zn1 N16A N16 -83.3(9) . 2_665
N15A Zn1 N16A N16 -157.5(9) 2_665 2_665
O1W Zn1 N16A N16 107.6(9) . 2_665
O18 Zn1 N16A N16 14.0(9) . 2_665
N15 Zn1 N16A N16 -165.5(9) . 2_665
O2W Zn1 N16A C24 62.7(10) . 2_665
N15A Zn1 N16A C24 -11.5(9) 2_665 2_665
O1W Zn1 N16A C24 -106.4(9) . 2_665
O18 Zn1 N16A C24 160.0(10) . 2_665
N15 Zn1 N16A C24 -19.5(9) . 2_665
N16 Zn1 N16A C24 146.0(16) 2_665 2_665
O2W Zn1 N16A C24A 89.5(5) . .
N15A Zn1 N16A C24A 15.3(5) 2_665 .
O1W Zn1 N16A C24A -79.7(5) . .
O18 Zn1 N16A C24A -173.2(5) . .
N15 Zn1 N16A C24A 7.3(5) . .
N16 Zn1 N16A C24A 172.8(12) 2_665 .
O2W Zn1 N16A C23A -93.9(6) . .
N15A Zn1 N16A C23A -168.1(7) 2_665 .
O1W Zn1 N16A C23A 97.0(7) . .
O18 Zn1 N16A C23A 3.4(6) . .
N15 Zn1 N16A C23A -176.1(7) . .
N16 Zn1 N16A C23A -10.6(7) 2_665 .
O2W Zn1 N16A C24A 70.9(4) . 2_665
N15A Zn1 N16A C24A -3.3(3) 2_665 2_665
O1W Zn1 N16A C24A -98.2(3) . 2_665
O18 Zn1 N16A C24A 168.2(3) . 2_665
N15 Zn1 N16A C24A -11.3(3) . 2_665
N16 Zn1 N16A C24A 154.2(10) 2_665 2_665
N15 N15A C22A C22 24.7(15) 2_665 2_665
C24 N15A C22A C22 139.6(12) 2_665 2_665
C24A N15A C22A C22 158.6(11) . 2_665
Zn1 N15A C22A C22 -13.7(17) 2_665 2_665
N15 N15A C22A C23 -107.8(17) 2_665 2_665
C24 N15A C22A C23 7.1(13) 2_665 2_665
C24A N15A C22A C23 26.1(15) . 2_665
C22 N15A C22A C23 -133(2) 2_665 2_665
Zn1 N15A C22A C23 -146.3(10) 2_665 2_665
C24 N15A C22A N15 114.9(13) 2_665 2_665
C24A N15A C22A N15 134.0(14) . 2_665
C22 N15A C22A N15 -24.7(15) 2_665 2_665
Zn1 N15A C22A N15 -38.4(12) 2_665 2_665
N15 N15A C22A C23A -122.4(13) 2_665 .
C24 N15A C22A C23A -7.5(7) 2_665 .
C24A N15A C22A C23A 11.6(8) . .
C22 N15A C22A C23A -147.1(14) 2_665 .
Zn1 N15A C22A C23A -160.8(7) 2_665 .
N15 N15A C22A C24 -114.9(13) 2_665 2_665
C24A N15A C22A C24 19.1(5) . 2_665
C22 N15A C22A C24 -139.6(12) 2_665 2_665
Zn1 N15A C22A C24 -153.3(12) 2_665 2_665
N15 N15A C22A N16 -121.9(12) 2_665 2_665
C24 N15A C22A N16 -7.0(5) 2_665 2_665
C24A N15A C22A N16 12.1(6) . 2_665
C22 N15A C22A N16 -146.6(13) 2_665 2_665
Zn1 N15A C22A N16 -160.3(8) 2_665 2_665
C24 N16A C23A N16 -130(2) 2_665 2_665
C24A N16A C23A N16 -147(2) . 2_665
C24A N16A C23A N16 -124(2) 2_665 2_665
Zn1 N16A C23A N16 36(2) . 2_665
N16 N16A C23A C23 128(4) 2_665 2_665
C24 N16A C23A C23 -2(3) 2_665 2_665
C24A N16A C23A C23 -19(3) . 2_665
C24A N16A C23A C23 4(3) 2_665 2_665
Zn1 N16A C23A C23 164(3) . 2_665
N16 N16A C23A C22A 149(2) 2_665 .
C24 N16A C23A C22A 18.9(6) 2_665 .
C24A N16A C23A C22A 2.1(7) . .
C24A N16A C23A C22A 25.0(8) 2_665 .
Zn1 N16A C23A C22A -174.9(5) . .
N16 N16A C23A C24 130(2) 2_665 2_665
C24A N16A C23A C24 -16.8(4) . 2_665
C24A N16A C23A C24 6.0(5) 2_665 2_665
Zn1 N16A C23A C24 166.2(8) . 2_665
N16 N16A C23A C22 139(2) 2_665 2_665
C24 N16A C23A C22 8.9(7) 2_665 2_665
C24A N16A C23A C22 -7.9(7) . 2_665
C24A N16A C23A C22 14.9(9) 2_665 2_665
Zn1 N16A C23A C22 175.1(5) . 2_665
C22 C22A C23A N16 -137.4(15) 2_665 2_665
C23 C22A C23A N16 -160.8(16) 2_665 2_665
N15 C22A C23A N16 -15.7(16) 2_665 2_665
N15A C22A C23A N16 1.7(14) . 2_665
C24 C22A C23A N16 -4.2(11) 2_665 2_665
C22 C22A C23A C23 23.4(14) 2_665 2_665
N15 C22A C23A C23 145.1(13) 2_665 2_665
N15A C22A C23A C23 162.5(11) . 2_665
C24 C22A C23A C23 156.6(10) 2_665 2_665
N16 C22A C23A C23 160.8(16) 2_665 2_665
C22 C22A C23A N16A -147.9(12) 2_665 .
C23 C22A C23A N16A -171.4(11) 2_665 .
N15 C22A C23A N16A -26.3(10) 2_665 .
N15A C22A C23A N16A -8.8(8) . .
C24 C22A C23A N16A -14.8(5) 2_665 .
N16 C22A C23A N16A -10.5(9) 2_665 .
C22 C22A C23A C24 -133.2(13) 2_665 2_665
C23 C22A C23A C24 -156.6(10) 2_665 2_665
N15 C22A C23A C24 -11.5(8) 2_665 2_665
N15A C22A C23A C24 5.9(5) . 2_665
N16 C22A C23A C24 4.2(11) 2_665 2_665
C23 C22A C23A C22 -23.4(14) 2_665 2_665
N15 C22A C23A C22 121.6(17) 2_665 2_665
N15A C22A C23A C22 139.1(16) . 2_665
C24 C22A C23A C22 133.2(13) 2_665 2_665
N16 C22A C23A C22 137.4(15) 2_665 2_665
N16 N16A C24A C24 24.2(10) 2_665 2_665
C23A N16A C24A C24 33.2(7) . 2_665
C24A N16A C24A C24 -113.3(11) 2_665 2_665
Zn1 N16A C24A C24 -149.1(7) . 2_665
N16 N16A C24A C24A 137.5(10) 2_665 2_665
C24 N16A C24A C24A 113.3(11) 2_665 2_665
C23A N16A C24A C24A 146.5(8) . 2_665
Zn1 N16A C24A C24A -35.9(10) . 2_665
N16 N16A C24A N15A -3.1(10) 2_665 .
C24 N16A C24A N15A -27.4(6) 2_665 .
C23A N16A C24A N15A 5.9(7) . .
C24A N16A C24A N15A -140.6(12) 2_665 .
Zn1 N16A C24A N15A -176.5(4) . .
N16 N16A C24A C24 161.9(8) 2_665 .
C24 N16A C24A C24 137.6(7) 2_665 .
C23A N16A C24A C24 170.9(5) . .
C24A N16A C24A C24 24.4(5) 2_665 .
Zn1 N16A C24A C24 -11.5(7) . .
N16 N16A C24A N15 3.9(9) 2_665 2_665
C24 N16A C24A N15 -20.3(6) 2_665 2_665
C23A N16A C24A N15 12.9(6) . 2_665
C24A N16A C24A N15 -133.6(10) 2_665 2_665
Zn1 N16A C24A N15 -169.5(4) . 2_665
C24 N16A C24A N16 -24.2(10) 2_665 2_665
C23A N16A C24A N16 9.0(7) . 2_665
C24A N16A C24A N16 -137.5(10) 2_665 2_665
Zn1 N16A C24A N16 -173.4(11) . 2_665
N16 N16A C24A N16A 137.5(10) 2_665 2_665
C24 N16A C24A N16A 113.3(11) 2_665 2_665
C23A N16A C24A N16A 146.5(8) . 2_665
C24A N16A C24A N16A 0.000(1) 2_665 2_665
Zn1 N16A C24A N16A -35.9(10) . 2_665
N15 N15A C24A C24 6.2(16) 2_665 2_665
C22A N15A C24A C24 -38.7(8) . 2_665
C22 N15A C24A C24 -29.7(8) 2_665 2_665
Zn1 N15A C24A C24 137.2(7) 2_665 2_665
N15 N15A C24A C24A -93.8(18) 2_665 2_665
C24 N15A C24A C24A -100.1(14) 2_665 2_665
C22A N15A C24A C24A -138.8(11) . 2_665
C22 N15A C24A C24A -129.8(11) 2_665 2_665
Zn1 N15A C24A C24A 37.1(13) 2_665 2_665
N15 N15A C24A N16A 33.7(17) 2_665 .
C24 N15A C24A N16A 27.4(7) 2_665 .
C22A N15A C24A N16A -11.3(7) . .
C22 N15A C24A N16A -2.3(8) 2_665 .
Zn1 N15A C24A N16A 164.6(4) 2_665 .
N15 N15A C24A C24 -127.4(16) 2_665 .
C24 N15A C24A C24 -133.6(9) 2_665 .
C22A N15A C24A C24 -172.4(7) . .
C22 N15A C24A C24 -163.4(7) 2_665 .
Zn1 N15A C24A C24 3.5(9) 2_665 .
C24 N15A C24A N15 -6.2(16) 2_665 2_665
C22A N15A C24A N15 -45.0(14) . 2_665
C22 N15A C24A N15 -36.0(14) 2_665 2_665
Zn1 N15A C24A N15 130.9(17) 2_665 2_665
N15 N15A C24A N16 32.5(16) 2_665 2_665
C24 N15A C24A N16 26.3(6) 2_665 2_665
C22A N15A C24A N16 -12.5(6) . 2_665
C22 N15A C24A N16 -3.5(6) 2_665 2_665
Zn1 N15A C24A N16 163.4(4) 2_665 2_665
N15 N15A C24A N16A -126.2(15) 2_665 2_665
C24 N15A C24A N16A -132.4(8) 2_665 2_665
C22A N15A C24A N16A -171.1(5) . 2_665
C22 N15A C24A N16A -162.1(5) 2_665 2_665
Zn1 N15A C24A N16A 4.8(4) 2_665 2_665
C24A C24 C24A C24 0.000(2) 2_665 2_665
N16A C24 C24A C24 -90.9(10) 2_665 2_665
N15A C24 C24A C24 64.2(10) 2_665 2_665
N15 C24 C24A C24 79.8(11) . 2_665
N16 C24 C24A C24 -101.7(11) . 2_665
C23A C24 C24A C24 -99.2(13) 2_665 2_665
C22A C24 C24A C24 54(2) 2_665 2_665
N16A C24 C24A C24A -90.9(10) 2_665 2_665
N15A C24 C24A C24A 64.2(10) 2_665 2_665
N15 C24 C24A C24A 79.8(11) . 2_665
N16 C24 C24A C24A -101.7(11) . 2_665
C23A C24 C24A C24A -99.2(13) 2_665 2_665
C22A C24 C24A C24A 54(2) 2_665 2_665
C24 C24 C24A C24A 0.000(3) 2_665 2_665
C24A C24 C24A N16A -68.8(9) 2_665 .
N16A C24 C24A N16A -159.7(4) 2_665 .
N15A C24 C24A N16A -4.6(8) 2_665 .
N15 C24 C24A N16A 11.0(10) . .
N16 C24 C24A N16A -170.5(6) . .
C23A C24 C24A N16A -167.9(8) 2_665 .
C22A C24 C24A N16A -15(2) 2_665 .
C24 C24 C24A N16A -68.8(9) 2_665 .
C24A C24 C24A N15A 92.8(12) 2_665 .
N16A C24 C24A N15A 1.9(9) 2_665 .
N15A C24 C24A N15A 157.0(6) 2_665 .
N15 C24 C24A N15A 172.6(7) . .
N16 C24 C24A N15A -8.9(12) . .
C23A C24 C24A N15A -6.4(15) 2_665 .
C22A C24 C24A N15A 146.4(19) 2_665 .
C24 C24 C24A N15A 92.8(12) 2_665 .
C24A C24 C24A N15 78.0(12) 2_665 2_665
N16A C24 C24A N15 -12.9(10) 2_665 2_665
N15A C24 C24A N15 142.2(7) 2_665 2_665
N15 C24 C24A N15 157.7(5) . 2_665
N16 C24 C24A N15 -23.7(12) . 2_665
C23A C24 C24A N15 -21.2(16) 2_665 2_665
C22A C24 C24A N15 131.5(19) 2_665 2_665
C24 C24 C24A N15 78.0(12) 2_665 2_665
C24A C24 C24A N16 -59.8(10) 2_665 2_665
N16A C24 C24A N16 -150.6(6) 2_665 2_665
N15A C24 C24A N16 4.4(10) 2_665 2_665
N15 C24 C24A N16 20.0(11) . 2_665
N16 C24 C24A N16 -161.5(4) . 2_665
C23A C24 C24A N16 -158.9(8) 2_665 2_665
C22A C24 C24A N16 -6(3) 2_665 2_665
C24 C24 C24A N16 -59.8(10) 2_665 2_665
C24A C24 C24A N16A 90.9(10) 2_665 2_665
N15A C24 C24A N16A 155.1(9) 2_665 2_665
N15 C24 C24A N16A 170.7(10) . 2_665
N16 C24 C24A N16A -10.8(5) . 2_665
C23A C24 C24A N16A -8.3(8) 2_665 2_665
C22A C24 C24A N16A 144(2) 2_665 2_665
C24 C24 C24A N16A 90.9(10) 2_665 2_665
