#------------------------------------------------------------------------------
#$Date: 2016-08-07 11:17:52 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185204 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/47/7224703.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_7224703
loop_
_publ_author_name
'Shen, Fang-Fang'
'Wang, Chuan-Zeng'
'Zhao, Wen-Xuan'
'Zhang, Yun-Qian'
'Xue, Sai-Feng'
'Zhu, Qian-Jiang'
'Tao, Zhu'
'Lindoy, Leonard F.'
'Wei, Gang'
_publ_section_title
;
 Coordination of alkaline-earth metal cations to a symmetrical
 octamethyl-substituted cucurbituril in the presence of polychlorido
 cadmium(ii) anions
;
_journal_issue                   26
_journal_name_full               CrystEngComm
_journal_page_first              4988
_journal_paper_doi               10.1039/C6CE00255B
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C44 H66 Ba2 N24 O19, Cd Cl4, 2Cl, 32(H2 O)'
_chemical_formula_sum            'C44 H130 Ba2 Cd Cl6 N24 O51'
_chemical_formula_weight         2411.50
_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
_audit_update_record
;
2016-03-17 deposited with the CCDC.
2016-03-23 downloaded from the CCDC.
;
_cell_angle_alpha                92.786(3)
_cell_angle_beta                 105.910(3)
_cell_angle_gamma                116.818(3)
_cell_formula_units_Z            2
_cell_length_a                   15.676(3)
_cell_length_b                   17.177(4)
_cell_length_c                   20.200(4)
_cell_measurement_reflns_used    3910
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.41
_cell_measurement_theta_min      2.11
_cell_volume                     4573.2(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Bruker Smart Apex2 CCD Detector'
_diffrn_measurement_method       'φ and ω scan'
_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  0.0590
_diffrn_reflns_av_sigmaI/netI    0.1288
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            30968
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.07
_exptl_absorpt_coefficient_mu    1.367
_exptl_absorpt_correction_T_max  0.7622
_exptl_absorpt_correction_T_min  0.6926
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2008)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.751
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2464
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.21
_platon_squeeze_details
;
;
_refine_diff_density_max         1.195
_refine_diff_density_min         -0.719
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.818
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     875
_refine_ls_number_reflns         15541
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.818
_refine_ls_R_factor_all          0.1135
_refine_ls_R_factor_gt           0.0594
_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)+(0.0853P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1469
_refine_ls_wR_factor_ref         0.1651
_reflns_number_gt                7163
_reflns_number_total             15541
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6ce00255b2.cif
_cod_data_source_block           complex3
_cod_depositor_comments
'Adding full bibliography for 7224701--7224703.cif.'
_cod_original_cell_volume        4573.3(16)
_cod_database_code               7224703
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_group
Cl5 Cl 0.4881(3) 0.7783(3) 0.4730(2) 0.1669(15) Uani 1 1 d . .
Cl6 Cl 0.2575(4) 0.5551(5) 0.2380(2) 0.301(4) Uani 1 1 d . .
O1W O 1.0003(4) 0.6357(4) 0.5440(3) 0.0797(16) Uani 1 1 d . .
O2W O 0.8454(4) 0.5104(4) 0.3931(3) 0.0759(16) Uani 1 1 d . .
O3W O 0.8474(5) 0.3779(4) 0.5087(3) 0.093(2) Uani 1 1 d . .
O4W O 0.7056(4) 0.4080(4) 0.6034(3) 0.0915(19) Uani 1 1 d . .
O5W O 0.3461(5) 0.2431(4) -0.0338(3) 0.104(2) Uani 1 1 d . .
O6W O 0.7477(4) 0.6435(4) -0.0326(3) 0.0952(19) Uani 1 1 d . .
O7W O 0.5639(5) 0.4348(5) -0.0398(3) 0.112(2) Uani 1 1 d . .
Ba1 Ba 0.80352(3) 0.51603(3) 0.52184(2) 0.06097(17) Uani 1 1 d . .
Ba3 Ba 0.45813(6) 0.40283(5) 0.06473(4) 0.0524(3) Uani 0.5714(11) 1 d P 1
Ba4 Ba 0.65050(8) 0.59797(8) 0.06710(6) 0.0597(4) Uani 0.4286(11) 1 d P 2
Cd1 Cd 0.95630(5) 0.82318(4) 0.63777(4) 0.0887(2) Uani 1 1 d . .
Cl1 Cl 0.84296(14) 0.66835(13) 0.64442(11) 0.0675(6) Uani 1 1 d . .
Cl2 Cl 0.8630(2) 0.88440(17) 0.56167(13) 0.0981(8) Uani 1 1 d . .
Cl3 Cl 1.1095(2) 0.8415(2) 0.6151(2) 0.1666(16) Uani 1 1 d . .
Cl4 Cl 1.0183(3) 0.9032(2) 0.76079(18) 0.1688(16) Uani 1 1 d . .
C1 C 1.0320(5) 0.7121(5) 0.3498(4) 0.057(2) Uani 1 1 d . .
C2 C 1.0636(5) 0.7702(5) 0.2521(4) 0.0517(18) Uani 1 1 d . .
C3 C 1.0256(5) 0.8230(5) 0.2880(4) 0.0482(18) Uani 1 1 d . .
C4 C 0.9090(6) 0.7499(5) 0.1734(4) 0.0492(18) Uani 1 1 d . .
C5 C 0.9778(5) 0.8068(5) 0.4016(4) 0.063(2) Uani 1 1 d . .
H5A H 1.0171 0.8719 0.4150 0.076 Uiso 1 1 calc R .
H5B H 0.9988 0.7827 0.4422 0.076 Uiso 1 1 calc R .
C6 C 0.8739(5) 0.8525(4) 0.2362(4) 0.0523(19) Uani 1 1 d . .
H6A H 0.8365 0.8518 0.1883 0.063 Uiso 1 1 calc R .
H6B H 0.9195 0.9149 0.2598 0.063 Uiso 1 1 calc R .
C7 C 0.8151(5) 0.7271(4) 0.4226(4) 0.0453(17) Uani 1 1 d . .
C8 C 0.8235(5) 0.8300(5) 0.3475(4) 0.0485(18) Uani 1 1 d . .
C9 C 0.7134(5) 0.7818(5) 0.3553(4) 0.0504(18) Uani 1 1 d . .
C10 C 0.7017(5) 0.7483(5) 0.2368(5) 0.0529(19) Uani 1 1 d . .
C11 C 0.6573(5) 0.6912(5) 0.4484(3) 0.0513(18) Uani 1 1 d . .
H11A H 0.6956 0.6906 0.4955 0.062 Uiso 1 1 calc R .
H11B H 0.6283 0.7302 0.4537 0.062 Uiso 1 1 calc R .
C12 C 0.5427(5) 0.6710(4) 0.2624(4) 0.0491(18) Uani 1 1 d . .
H12A H 0.5164 0.6579 0.2109 0.059 Uiso 1 1 calc R .
H12B H 0.5141 0.7050 0.2793 0.059 Uiso 1 1 calc R .
C13 C 0.5699(5) 0.5280(5) 0.4401(4) 0.0449(17) Uani 1 1 d . .
C14 C 0.4890(5) 0.5797(4) 0.3539(3) 0.0436(17) Uani 1 1 d . .
H14 H 0.4532 0.6128 0.3607 0.052 Uiso 1 1 calc R .
C15 C 0.4215(5) 0.4788(4) 0.3454(3) 0.0417(16) Uani 1 1 d . .
H15 H 0.3569 0.4650 0.3532 0.050 Uiso 1 1 calc R .
C16 C 0.4516(5) 0.5049(5) 0.2408(4) 0.0472(18) Uani 1 1 d . .
C17 C 0.4542(5) 0.3661(5) 0.4124(4) 0.0509(18) Uani 1 1 d . .
H17A H 0.4953 0.3701 0.4601 0.061 Uiso 1 1 calc R .
H17B H 0.3833 0.3382 0.4105 0.061 Uiso 1 1 calc R .
C18 C 0.3290(5) 0.3504(5) 0.2381(3) 0.0496(18) Uani 1 1 d . .
H18A H 0.2747 0.3288 0.2588 0.060 Uiso 1 1 calc R .
H18B H 0.2990 0.3503 0.1887 0.060 Uiso 1 1 calc R .
C19 C 0.5572(5) 0.3111(5) 0.3729(4) 0.0490(18) Uani 1 1 d . .
C20 C 0.3851(5) 0.2469(4) 0.3015(4) 0.0443(17) Uani 1 1 d . .
C21 C 0.4359(5) 0.1929(5) 0.2781(4) 0.0481(18) Uani 1 1 d . .
C22 C 0.3846(5) 0.2578(4) 0.1852(4) 0.0468(17) Uani 1 1 d . .
C23 C 0.6193(5) 0.2202(5) 0.3306(4) 0.058(2) Uani 1 1 d . .
H23A H 0.5880 0.1558 0.3287 0.070 Uiso 1 1 calc R .
H23B H 0.6709 0.2497 0.3771 0.070 Uiso 1 1 calc R .
C24 C 0.4438(5) 0.1558(5) 0.1537(4) 0.0568(19) Uani 1 1 d . .
H24A H 0.4038 0.1533 0.1061 0.068 Uiso 1 1 calc R .
H24B H 0.4217 0.0944 0.1602 0.068 Uiso 1 1 calc R .
C25 C 0.7723(6) 0.2937(5) 0.2980(4) 0.0481(18) Uani 1 1 d . .
C26 C 0.6273(5) 0.1844(5) 0.2055(4) 0.0520(19) Uani 1 1 d . .
C27 C 0.7195(5) 0.2292(5) 0.1795(3) 0.0486(18) Uani 1 1 d . .
C28 C 0.5907(6) 0.2599(5) 0.1201(4) 0.0534(19) Uani 1 1 d . .
C29 C 0.9114(5) 0.3255(5) 0.2498(4) 0.0528(19) Uani 1 1 d . .
H29A H 0.9511 0.3275 0.2974 0.063 Uiso 1 1 calc R .
H29B H 0.9209 0.2890 0.2167 0.063 Uiso 1 1 calc R .
C30 C 0.7469(5) 0.3376(5) 0.0928(3) 0.0528(19) Uani 1 1 d . .
H30A H 0.7718 0.3032 0.0714 0.063 Uiso 1 1 calc R .
H30B H 0.7018 0.3483 0.0546 0.063 Uiso 1 1 calc R .
C31 C 1.0143(5) 0.4891(5) 0.2883(4) 0.0541(19) Uani 1 1 d . .
C32 C 0.9345(5) 0.4339(5) 0.1675(3) 0.0476(18) Uani 1 1 d . .
H32 H 0.9528 0.4011 0.1372 0.057 Uiso 1 1 calc R .
C33 C 1.0040(5) 0.5351(5) 0.1811(3) 0.0505(19) Uani 1 1 d . .
H33 H 1.0605 0.5499 0.1625 0.061 Uiso 1 1 calc R .
C34 C 0.8391(6) 0.5027(5) 0.1154(4) 0.0517(19) Uani 1 1 d . .
C35 C 1.1158(5) 0.6508(5) 0.2966(4) 0.063(2) Uani 1 1 d . .
H35A H 1.1691 0.6759 0.2752 0.076 Uiso 1 1 calc R .
H35B H 1.1472 0.6473 0.3447 0.076 Uiso 1 1 calc R .
C36 C 0.9720(6) 0.6566(6) 0.1310(4) 0.062(2) Uani 1 1 d . .
H36A H 0.9259 0.6540 0.0859 0.074 Uiso 1 1 calc R .
H36B H 1.0391 0.6775 0.1263 0.074 Uiso 1 1 calc R .
C37 C 1.1640(6) 0.8246(5) 0.2380(5) 0.079(3) Uani 1 1 d . .
H37A H 1.1565 0.8636 0.2064 0.118 Uiso 1 1 calc R .
H37B H 1.1814 0.7844 0.2167 0.118 Uiso 1 1 calc R .
H37C H 1.2174 0.8600 0.2820 0.118 Uiso 1 1 calc R .
C38 C 1.1031(6) 0.9237(5) 0.3159(4) 0.075(2) Uani 1 1 d . .
H38A H 1.1624 0.9304 0.3525 0.112 Uiso 1 1 calc R .
H38B H 1.0723 0.9531 0.3350 0.112 Uiso 1 1 calc R .
H38C H 1.1231 0.9503 0.2777 0.112 Uiso 1 1 calc R .
C39 C 0.8820(6) 0.9292(5) 0.3815(5) 0.079(3) Uani 1 1 d . .
H39A H 0.8939 0.9360 0.4317 0.118 Uiso 1 1 calc R .
H39B H 0.8427 0.9577 0.3611 0.118 Uiso 1 1 calc R .
H39C H 0.9464 0.9568 0.3732 0.118 Uiso 1 1 calc R .
C40 C 0.6746(6) 0.8428(5) 0.3747(5) 0.076(2) Uani 1 1 d . .
H40A H 0.6686 0.8764 0.3382 0.114 Uiso 1 1 calc R .
H40B H 0.7216 0.8835 0.4189 0.114 Uiso 1 1 calc R .
H40C H 0.6088 0.8075 0.3797 0.114 Uiso 1 1 calc R .
C41 C 0.2870(6) 0.1903(5) 0.3146(4) 0.068(2) Uani 1 1 d . .
H41A H 0.2367 0.1495 0.2713 0.102 Uiso 1 1 calc R .
H41B H 0.2631 0.2282 0.3307 0.102 Uiso 1 1 calc R .
H41C H 0.2982 0.1566 0.3500 0.102 Uiso 1 1 calc R .
C42 C 0.3902(6) 0.0964(5) 0.2849(5) 0.078(3) Uani 1 1 d . .
H42A H 0.4020 0.0930 0.3341 0.118 Uiso 1 1 calc R .
H42B H 0.4214 0.0678 0.2653 0.118 Uiso 1 1 calc R .
H42C H 0.3179 0.0663 0.2597 0.118 Uiso 1 1 calc R .
C43 C 0.5936(6) 0.0871(5) 0.2104(5) 0.082(3) Uani 1 1 d . .
H43A H 0.6488 0.0829 0.2433 0.123 Uiso 1 1 calc R .
H43B H 0.5751 0.0526 0.1645 0.123 Uiso 1 1 calc R .
H43C H 0.5356 0.0641 0.2266 0.123 Uiso 1 1 calc R .
C44 C 0.7410(6) 0.1679(6) 0.1361(4) 0.078(2) Uani 1 1 d . .
H44A H 0.7600 0.1314 0.1654 0.117 Uiso 1 1 calc R .
H44B H 0.7959 0.2040 0.1192 0.117 Uiso 1 1 calc R .
H44C H 0.6806 0.1299 0.0964 0.117 Uiso 1 1 calc R .
N1 N 1.0722(4) 0.7108(4) 0.2989(3) 0.0491(15) Uani 1 1 d . .
N2 N 1.0025(4) 0.7779(4) 0.3447(3) 0.0494(15) Uani 1 1 d . .
N3 N 0.9788(4) 0.7208(4) 0.1845(3) 0.0546(15) Uani 1 1 d . .
N4 N 0.9346(4) 0.8102(4) 0.2321(3) 0.0500(15) Uani 1 1 d . .
N5 N 0.8698(4) 0.7799(4) 0.3853(3) 0.0455(14) Uani 1 1 d . .
N6 N 0.7269(4) 0.7283(4) 0.4090(3) 0.0529(15) Uani 1 1 d . .
N7 N 0.8014(4) 0.8117(4) 0.2731(3) 0.0493(15) Uani 1 1 d . .
N8 N 0.6524(4) 0.7252(4) 0.2855(3) 0.0445(14) Uani 1 1 d . .
N9 N 0.5751(4) 0.6016(4) 0.4157(3) 0.0423(13) Uani 1 1 d . .
N10 N 0.4841(4) 0.4554(4) 0.3994(3) 0.0446(14) Uani 1 1 d . .
N11 N 0.5090(4) 0.5868(4) 0.2874(3) 0.0459(14) Uani 1 1 d . .
N12 N 0.4047(4) 0.4421(4) 0.2747(3) 0.0450(14) Uani 1 1 d . .
N13 N 0.4644(4) 0.3099(4) 0.3643(3) 0.0465(14) Uani 1 1 d . .
N14 N 0.5423(4) 0.2473(4) 0.3225(3) 0.0513(15) Uani 1 1 d . .
N15 N 0.3699(4) 0.2901(4) 0.2417(3) 0.0459(14) Uani 1 1 d . .
N16 N 0.4197(4) 0.2007(4) 0.2041(3) 0.0507(15) Uani 1 1 d . .
N17 N 0.6693(4) 0.2411(4) 0.2766(3) 0.0525(15) Uani 1 1 d . .
N18 N 0.8045(4) 0.2830(4) 0.2436(3) 0.0488(15) Uani 1 1 d . .
N19 N 0.5507(4) 0.1966(4) 0.1583(3) 0.0522(15) Uani 1 1 d . .
N20 N 0.6890(4) 0.2849(4) 0.1348(3) 0.0505(15) Uani 1 1 d . .
N21 N 0.9491(4) 0.4132(4) 0.2365(3) 0.0509(15) Uani 1 1 d . .
N22 N 1.0404(4) 0.5615(4) 0.2569(3) 0.0510(15) Uani 1 1 d . .
N23 N 0.8328(4) 0.4228(4) 0.1328(3) 0.0522(15) Uani 1 1 d . .
N24 N 0.9374(4) 0.5691(4) 0.1452(3) 0.0510(15) Uani 1 1 d . .
O1 O 1.0239(4) 0.6655(4) 0.3948(3) 0.0670(15) Uani 1 1 d . .
O2 O 0.8409(4) 0.6845(3) 0.4624(3) 0.0632(14) Uani 1 1 d . .
O3 O 0.6323(3) 0.5277(3) 0.4930(2) 0.0527(12) Uani 1 1 d . .
O4 O 0.6364(3) 0.3638(3) 0.4200(2) 0.0556(13) Uani 1 1 d . .
O5 O 0.8266(4) 0.3422(3) 0.3545(3) 0.0619(14) Uani 1 1 d . .
O6 O 1.0445(3) 0.4906(3) 0.3514(3) 0.0590(13) Uani 1 1 d . .
O7 O 0.8370(4) 0.7267(3) 0.1210(3) 0.0584(13) Uani 1 1 d . .
O8 O 0.6644(4) 0.7188(3) 0.1734(3) 0.0631(14) Uani 1 1 d . .
O9 O 0.4462(3) 0.4953(3) 0.1787(3) 0.0592(13) Uani 1 1 d . .
O10 O 0.3665(3) 0.2758(3) 0.1268(3) 0.0591(13) Uani 1 1 d . .
O11 O 0.5426(3) 0.2870(3) 0.0781(3) 0.0656(14) Uani 1 1 d . .
O12 O 0.7687(4) 0.5116(3) 0.0814(3) 0.0649(14) Uani 1 1 d . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
Ba Ba -0.3244 2.2819 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
Ba3 O5W Ba4 58.31(12) . 2_665
Ba4 O6W Ba3 58.44(11) . 2_665
Ba4 O7W Ba3 68.72(14) . .
Ba4 O7W Ba3 54.57(13) . 2_665
Ba3 O7W Ba3 92.27(17) . 2_665
Ba4 O7W Ba4 92.62(17) . 2_665
Ba3 O7W Ba4 54.43(11) . 2_665
Ba3 O7W Ba4 67.04(13) 2_665 2_665
O3 Ba1 O1W 133.69(16) . .
O3 Ba1 O4W 77.73(14) . .
O1W Ba1 O4W 133.21(16) . .
O3 Ba1 O3W 134.85(17) . .
O1W Ba1 O3W 89.94(18) . .
O4W Ba1 O3W 78.04(17) . .
O3 Ba1 O2W 106.87(14) . .
O1W Ba1 O2W 70.68(15) . .
O4W Ba1 O2W 142.32(17) . .
O3W Ba1 O2W 72.82(15) . .
O3 Ba1 O4 68.86(13) . .
O1W Ba1 O4 140.02(14) . .
O4W Ba1 O4 76.75(16) . .
O3W Ba1 O4 68.82(16) . .
O2W Ba1 O4 70.79(14) . .
O3 Ba1 O6 137.78(13) . 2_766
O1W Ba1 O6 64.81(14) . 2_766
O4W Ba1 O6 69.50(15) . 2_766
O3W Ba1 O6 63.07(14) . 2_766
O2W Ba1 O6 115.35(14) . 2_766
O4 Ba1 O6 125.32(13) . 2_766
O3 Ba1 O2 72.56(13) . .
O1W Ba1 O2 63.95(15) . .
O4W Ba1 O2 144.35(14) . .
O3W Ba1 O2 137.47(15) . .
O2W Ba1 O2 67.18(14) . .
O4 Ba1 O2 109.35(14) . .
O6 Ba1 O2 123.29(14) 2_766 .
O3 Ba1 Cl1 73.22(10) . .
O1W Ba1 Cl1 78.78(12) . .
O4W Ba1 Cl1 81.08(14) . .
O3W Ba1 Cl1 138.36(12) . .
O2W Ba1 Cl1 136.50(11) . .
O4 Ba1 Cl1 139.20(9) . .
O6 Ba1 Cl1 75.98(10) 2_766 .
O2 Ba1 Cl1 71.89(10) . .
O10 Ba3 O5W 71.74(17) . .
O10 Ba3 O6W 68.50(16) . 2_665
O5W Ba3 O6W 73.1(2) . 2_665
O10 Ba3 O9 77.06(15) . .
O5W Ba3 O9 140.82(18) . .
O6W Ba3 O9 73.76(16) 2_665 .
O10 Ba3 O11 69.49(14) . .
O5W Ba3 O11 64.86(16) . .
O6W Ba3 O11 127.52(17) 2_665 .
O9 Ba3 O11 124.34(14) . .
O10 Ba3 O7W 139.91(18) . .
O5W Ba3 O7W 76.5(2) . .
O6W Ba3 O7W 124.01(17) 2_665 .
O9 Ba3 O7W 141.00(18) . .
O11 Ba3 O7W 75.29(16) . .
O10 Ba3 O7W 130.01(16) . 2_665
O5W Ba3 O7W 122.33(17) . 2_665
O6W Ba3 O7W 71.31(18) 2_665 2_665
O9 Ba3 O7W 63.99(15) . 2_665
O11 Ba3 O7W 159.72(16) . 2_665
O7W Ba3 O7W 87.73(17) . 2_665
O10 Ba3 Ba3 167.30(11) . 2_665
O5W Ba3 Ba3 102.34(13) . 2_665
O6W Ba3 Ba3 99.19(12) 2_665 2_665
O9 Ba3 Ba3 103.10(10) . 2_665
O11 Ba3 Ba3 118.85(10) . 2_665
O7W Ba3 Ba3 44.40(13) . 2_665
O7W Ba3 Ba3 43.32(12) 2_665 2_665
O7 Ba4 O6W 67.58(16) . .
O7 Ba4 O8 70.15(15) . .
O6W Ba4 O8 125.44(18) . .
O7 Ba4 O12 75.70(15) . .
O6W Ba4 O12 73.76(16) . .
O8 Ba4 O12 125.84(15) . .
O7 Ba4 O5W 72.14(16) . 2_665
O6W Ba4 O5W 73.1(2) . 2_665
O8 Ba4 O5W 62.10(16) . 2_665
O12 Ba4 O5W 140.48(18) . 2_665
O7 Ba4 O7W 129.98(16) . .
O6W Ba4 O7W 72.65(19) . .
O8 Ba4 O7W 159.49(16) . .
O12 Ba4 O7W 64.82(16) . .
O5W Ba4 O7W 123.09(18) 2_665 .
O7 Ba4 O7W 139.86(17) . 2_665
O6W Ba4 O7W 122.56(17) . 2_665
O8 Ba4 O7W 74.68(16) . 2_665
O12 Ba4 O7W 143.01(18) . 2_665
O5W Ba4 O7W 74.7(2) 2_665 2_665
O7W Ba4 O7W 87.38(17) . 2_665
O7 Ba4 Ba4 166.86(12) . 2_665
O6W Ba4 Ba4 99.96(13) . 2_665
O8 Ba4 Ba4 117.06(11) . 2_665
O12 Ba4 Ba4 105.56(11) . 2_665
O5W Ba4 Ba4 100.88(13) 2_665 2_665
O7W Ba4 Ba4 44.35(12) . 2_665
O7W Ba4 Ba4 43.03(13) 2_665 2_665
Cl2 Cd1 Cl3 115.14(12) . .
Cl2 Cd1 Cl1 111.56(8) . .
Cl3 Cd1 Cl1 113.28(9) . .
Cl2 Cd1 Cl4 109.06(12) . .
Cl3 Cd1 Cl4 104.47(15) . .
Cl1 Cd1 Cl4 102.15(10) . .
Cd1 Cl1 Ba1 115.11(7) . .
O1 C1 N1 127.0(7) . .
O1 C1 N2 124.7(7) . .
N1 C1 N2 108.3(7) . .
N1 C2 N3 111.6(6) . .
N1 C2 C3 103.7(5) . .
N3 C2 C3 103.1(5) . .
N1 C2 C37 110.9(6) . .
N3 C2 C37 110.3(6) . .
C3 C2 C37 116.9(6) . .
N2 C3 N4 113.1(5) . .
N2 C3 C2 103.5(5) . .
N4 C3 C2 103.1(5) . .
N2 C3 C38 111.6(6) . .
N4 C3 C38 111.0(6) . .
C2 C3 C38 114.3(6) . .
O7 C4 N3 125.9(7) . .
O7 C4 N4 125.6(7) . .
N3 C4 N4 108.6(6) . .
N2 C5 N5 114.5(6) . .
N2 C5 H5A 108.6 . .
N5 C5 H5A 108.6 . .
N2 C5 H5B 108.6 . .
N5 C5 H5B 108.6 . .
H5A C5 H5B 107.6 . .
N4 C6 N7 115.2(5) . .
N4 C6 H6A 108.5 . .
N7 C6 H6A 108.5 . .
N4 C6 H6B 108.5 . .
N7 C6 H6B 108.5 . .
H6A C6 H6B 107.5 . .
O2 C7 N6 124.5(7) . .
O2 C7 N5 126.0(6) . .
N6 C7 N5 109.5(6) . .
N7 C8 N5 113.4(5) . .
N7 C8 C39 114.5(6) . .
N5 C8 C39 111.9(6) . .
N7 C8 C9 102.7(5) . .
N5 C8 C9 101.1(5) . .
C39 C8 C9 111.9(6) . .
N8 C9 N6 111.2(5) . .
N8 C9 C40 112.5(6) . .
N6 C9 C40 113.5(6) . .
N8 C9 C8 101.1(5) . .
N6 C9 C8 101.7(5) . .
C40 C9 C8 115.8(6) . .
O8 C10 N7 126.4(7) . .
O8 C10 N8 126.4(7) . .
N7 C10 N8 107.1(7) . .
N9 C11 N6 113.8(5) . .
N9 C11 H11A 108.8 . .
N6 C11 H11A 108.8 . .
N9 C11 H11B 108.8 . .
N6 C11 H11B 108.8 . .
H11A C11 H11B 107.7 . .
N8 C12 N11 113.1(5) . .
N8 C12 H12A 109.0 . .
N11 C12 H12A 109.0 . .
N8 C12 H12B 109.0 . .
N11 C12 H12B 109.0 . .
H12A C12 H12B 107.8 . .
O3 C13 N9 125.2(7) . .
O3 C13 N10 125.2(7) . .
N9 C13 N10 109.5(6) . .
N9 C14 N11 116.2(5) . .
N9 C14 C15 103.7(5) . .
N11 C14 C15 102.8(5) . .
N9 C14 H14 111.2 . .
N11 C14 H14 111.2 . .
C15 C14 H14 111.2 . .
N12 C15 N10 114.4(5) . .
N12 C15 C14 104.6(5) . .
N10 C15 C14 102.8(5) . .
N12 C15 H15 111.5 . .
N10 C15 H15 111.5 . .
C14 C15 H15 111.5 . .
O9 C16 N12 127.7(7) . .
O9 C16 N11 123.4(7) . .
N12 C16 N11 108.8(6) . .
N13 C17 N10 114.6(5) . .
N13 C17 H17A 108.6 . .
N10 C17 H17A 108.6 . .
N13 C17 H17B 108.6 . .
N10 C17 H17B 108.6 . .
H17A C17 H17B 107.6 . .
N15 C18 N12 113.5(5) . .
N15 C18 H18A 108.9 . .
N12 C18 H18A 108.9 . .
N15 C18 H18B 108.9 . .
N12 C18 H18B 108.9 . .
H18A C18 H18B 107.7 . .
O4 C19 N14 128.6(6) . .
O4 C19 N13 122.7(7) . .
N14 C19 N13 108.7(6) . .
N13 C20 N15 112.4(5) . .
N13 C20 C41 112.7(6) . .
N15 C20 C41 111.8(5) . .
N13 C20 C21 102.8(5) . .
N15 C20 C21 101.7(5) . .
C41 C20 C21 114.7(6) . .
N14 C21 N16 112.6(5) . .
N14 C21 C42 113.7(6) . .
N16 C21 C42 111.1(6) . .
N14 C21 C20 101.8(5) . .
N16 C21 C20 101.1(5) . .
C42 C21 C20 115.6(6) . .
O10 C22 N16 125.9(7) . .
O10 C22 N15 125.7(6) . .
N16 C22 N15 108.4(6) . .
N14 C23 N17 113.9(5) . .
N14 C23 H23A 108.8 . .
N17 C23 H23A 108.8 . .
N14 C23 H23B 108.8 . .
N17 C23 H23B 108.8 . .
H23A C23 H23B 107.7 . .
N16 C24 N19 116.3(5) . .
N16 C24 H24A 108.2 . .
N19 C24 H24A 108.2 . .
N16 C24 H24B 108.2 . .
N19 C24 H24B 108.2 . .
H24A C24 H24B 107.4 . .
O5 C25 N18 124.9(7) . .
O5 C25 N17 126.9(7) . .
N18 C25 N17 108.1(7) . .
N19 C26 N17 112.8(5) . .
N19 C26 C43 113.1(6) . .
N17 C26 C43 110.7(6) . .
N19 C26 C27 104.4(6) . .
N17 C26 C27 100.5(5) . .
C43 C26 C27 114.6(6) . .
N18 C27 N20 112.1(5) . .
N18 C27 C44 112.5(5) . .
N20 C27 C44 109.9(6) . .
N18 C27 C26 104.0(5) . .
N20 C27 C26 100.2(5) . .
C44 C27 C26 117.6(6) . .
O11 C28 N20 125.8(7) . .
O11 C28 N19 125.1(7) . .
N20 C28 N19 109.1(6) . .
N21 C29 N18 113.5(5) . .
N21 C29 H29A 108.9 . .
N18 C29 H29A 108.9 . .
N21 C29 H29B 108.9 . .
N18 C29 H29B 108.9 . .
H29A C29 H29B 107.7 . .
N23 C30 N20 113.6(5) . .
N23 C30 H30A 108.8 . .
N20 C30 H30A 108.8 . .
N23 C30 H30B 108.8 . .
N20 C30 H30B 108.8 . .
H30A C30 H30B 107.7 . .
O6 C31 N22 126.1(7) . .
O6 C31 N21 125.5(7) . .
N22 C31 N21 108.4(7) . .
N21 C32 N23 113.8(5) . .
N21 C32 C33 104.0(5) . .
N23 C32 C33 103.4(5) . .
N21 C32 H32 111.7 . .
N23 C32 H32 111.7 . .
C33 C32 H32 111.7 . .
N22 C33 N24 113.9(5) . .
N22 C33 C32 103.7(6) . .
N24 C33 C32 104.4(5) . .
N22 C33 H33 111.5 . .
N24 C33 H33 111.5 . .
C32 C33 H33 111.5 . .
O12 C34 N24 126.0(7) . .
O12 C34 N23 125.3(7) . .
N24 C34 N23 108.7(6) . .
N22 C35 N1 112.6(5) . .
N22 C35 H35A 109.1 . .
N1 C35 H35A 109.1 . .
N22 C35 H35B 109.1 . .
N1 C35 H35B 109.1 . .
H35A C35 H35B 107.8 . .
N24 C36 N3 114.2(6) . .
N24 C36 H36A 108.7 . .
N3 C36 H36A 108.7 . .
N24 C36 H36B 108.7 . .
N3 C36 H36B 108.7 . .
H36A C36 H36B 107.6 . .
C2 C37 H37A 109.5 . .
C2 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C2 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C3 C38 H38A 109.5 . .
C3 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C3 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C8 C39 H39A 109.5 . .
C8 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C8 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C9 C40 H40A 109.5 . .
C9 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C9 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
C20 C41 H41A 109.5 . .
C20 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
C20 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
C21 C42 H42A 109.5 . .
C21 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C21 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C26 C43 H43A 109.5 . .
C26 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
C26 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
C27 C44 H44A 109.5 . .
C27 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C27 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C1 N1 C2 112.5(6) . .
C1 N1 C35 118.5(6) . .
C2 N1 C35 129.0(6) . .
C1 N2 C5 119.6(6) . .
C1 N2 C3 111.2(6) . .
C5 N2 C3 127.3(6) . .
C4 N3 C36 121.3(6) . .
C4 N3 C2 111.5(6) . .
C36 N3 C2 126.8(5) . .
C4 N4 C6 121.3(6) . .
C4 N4 C3 112.6(5) . .
C6 N4 C3 126.1(6) . .
C7 N5 C8 113.3(5) . .
C7 N5 C5 120.9(6) . .
C8 N5 C5 122.5(6) . .
C7 N6 C11 124.1(6) . .
C7 N6 C9 112.7(5) . .
C11 N6 C9 122.8(5) . .
C10 N7 C8 113.4(6) . .
C10 N7 C6 121.0(6) . .
C8 N7 C6 125.5(6) . .
C10 N8 C12 120.1(6) . .
C10 N8 C9 113.1(6) . .
C12 N8 C9 123.8(5) . .
C13 N9 C14 111.7(5) . .
C13 N9 C11 123.6(6) . .
C14 N9 C11 124.6(5) . .
C13 N10 C17 123.4(6) . .
C13 N10 C15 111.9(6) . .
C17 N10 C15 124.4(6) . .
C16 N11 C14 110.9(6) . .
C16 N11 C12 121.4(6) . .
C14 N11 C12 121.7(5) . .
C16 N12 C15 112.4(6) . .
C16 N12 C18 122.3(6) . .
C15 N12 C18 124.2(5) . .
C19 N13 C17 122.0(6) . .
C19 N13 C20 111.7(5) . .
C17 N13 C20 126.3(5) . .
C19 N14 C23 118.8(6) . .
C19 N14 C21 113.5(5) . .
C23 N14 C21 124.5(6) . .
C22 N15 C18 122.3(5) . .
C22 N15 C20 113.1(5) . .
C18 N15 C20 124.0(5) . .
C22 N16 C24 120.7(6) . .
C22 N16 C21 114.2(6) . .
C24 N16 C21 125.1(6) . .
C25 N17 C23 118.6(6) . .
C25 N17 C26 112.8(6) . .
C23 N17 C26 124.2(6) . .
C25 N18 C29 122.6(6) . .
C25 N18 C27 111.6(6) . .
C29 N18 C27 125.7(6) . .
C28 N19 C26 111.2(6) . .
C28 N19 C24 122.2(6) . .
C26 N19 C24 126.3(6) . .
C28 N20 C30 121.7(6) . .
C28 N20 C27 111.8(6) . .
C30 N20 C27 123.5(5) . .
C31 N21 C29 123.7(6) . .
C31 N21 C32 111.6(6) . .
C29 N21 C32 124.3(6) . .
C31 N22 C33 111.6(6) . .
C31 N22 C35 121.8(6) . .
C33 N22 C35 125.0(6) . .
C34 N23 C30 120.6(6) . .
C34 N23 C32 110.7(6) . .
C30 N23 C32 122.6(6) . .
C34 N24 C36 122.8(6) . .
C34 N24 C33 111.9(6) . .
C36 N24 C33 124.3(6) . .
C7 O2 Ba1 153.2(5) . .
C13 O3 Ba1 136.6(4) . .
C19 O4 Ba1 166.3(5) . .
C31 O6 Ba1 150.2(4) . 2_766
C4 O7 Ba4 138.7(5) . .
C10 O8 Ba4 142.6(5) . .
C16 O9 Ba3 148.9(4) . .
C22 O10 Ba3 137.0(4) . .
C28 O11 Ba3 144.6(5) . .
C34 O12 Ba4 150.0(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O1W Ba1 2.716(5) .
O2W Ba1 2.858(5) .
O3W Ba1 2.773(5) .
O4W Ba1 2.762(6) .
O5W Ba3 2.789(6) .
O5W Ba4 2.825(6) 2_665
O6W Ba4 2.783(6) .
O6W Ba3 2.819(5) 2_665
O7W Ba4 2.955(7) .
O7W Ba3 2.952(6) .
O7W Ba3 3.011(7) 2_665
O7W Ba4 3.027(6) 2_665
Ba1 O3 2.687(5) .
Ba1 O4 2.876(5) .
Ba1 O6 3.029(5) 2_766
Ba1 O2 3.058(5) .
Ba1 Cl1 3.230(2) .
Ba3 O10 2.612(5) .
Ba3 O6W 2.819(5) 2_665
Ba3 O9 2.830(5) .
Ba3 O11 2.831(5) .
Ba3 O7W 3.011(7) 2_665
Ba3 Ba3 4.2993(16) 2_665
Ba4 O7 2.609(5) .
Ba4 O8 2.805(5) .
Ba4 O12 2.819(5) .
Ba4 O5W 2.825(6) 2_665
Ba4 O7W 3.027(6) 2_665
Ba4 Ba4 4.326(2) 2_665
Cd1 Cl2 2.433(3) .
Cd1 Cl3 2.451(3) .
Cd1 Cl1 2.480(2) .
Cd1 Cl4 2.479(3) .
C1 O1 1.235(8) .
C1 N1 1.350(9) .
C1 N2 1.399(9) .
C2 N1 1.450(8) .
C2 N3 1.492(8) .
C2 C3 1.538(9) .
C2 C37 1.541(9) .
C3 N2 1.450(8) .
C3 N4 1.472(8) .
C3 C38 1.555(10) .
C4 O7 1.205(8) .
C4 N3 1.367(8) .
C4 N4 1.372(8) .
C5 N2 1.442(8) .
C5 N5 1.471(8) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C6 N4 1.449(8) .
C6 N7 1.461(8) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C7 O2 1.221(7) .
C7 N6 1.344(8) .
C7 N5 1.358(8) .
C8 N7 1.432(8) .
C8 N5 1.474(8) .
C8 C39 1.532(9) .
C8 C9 1.600(9) .
C9 N8 1.461(8) .
C9 N6 1.489(8) .
C9 C40 1.512(9) .
C10 O8 1.224(8) .
C10 N7 1.387(8) .
C10 N8 1.380(9) .
C11 N9 1.453(8) .
C11 N6 1.459(8) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C12 N8 1.454(8) .
C12 N11 1.467(8) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C13 O3 1.237(7) .
C13 N9 1.355(8) .
C13 N10 1.350(8) .
C14 N9 1.447(8) .
C14 N11 1.458(8) .
C14 C15 1.539(9) .
C14 H14 0.9900 .
C15 N12 1.437(8) .
C15 N10 1.458(8) .
C15 H15 0.9900 .
C16 O9 1.231(8) .
C16 N12 1.344(8) .
C16 N11 1.393(8) .
C17 N13 1.427(8) .
C17 N10 1.449(8) .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C18 N15 1.437(8) .
C18 N12 1.468(8) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C19 O4 1.233(8) .
C19 N14 1.349(8) .
C19 N13 1.408(8) .
C20 N13 1.453(8) .
C20 N15 1.469(8) .
C20 C41 1.509(9) .
C20 C21 1.599(9) .
C21 N14 1.467(8) .
C21 N16 1.470(8) .
C21 C42 1.512(9) .
C22 O10 1.223(8) .
C22 N16 1.348(8) .
C22 N15 1.365(8) .
C23 N14 1.452(8) .
C23 N17 1.479(8) .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C24 N16 1.474(8) .
C24 N19 1.469(8) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C25 O5 1.208(8) .
C25 N18 1.366(8) .
C25 N17 1.368(8) .
C26 N19 1.417(8) .
C26 N17 1.488(8) .
C26 C43 1.527(10) .
C26 C27 1.552(9) .
C27 N18 1.460(8) .
C27 N20 1.490(8) .
C27 C44 1.544(9) .
C28 O11 1.229(8) .
C28 N20 1.337(8) .
C28 N19 1.379(8) .
C29 N21 1.420(8) .
C29 N18 1.458(8) .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C30 N23 1.455(8) .
C30 N20 1.455(8) .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C31 O6 1.226(8) .
C31 N22 1.371(9) .
C31 N21 1.384(9) .
C32 N21 1.439(8) .
C32 N23 1.472(7) .
C32 C33 1.538(9) .
C32 H32 0.9900 .
C33 N22 1.447(8) .
C33 N24 1.460(8) .
C33 H33 0.9900 .
C34 O12 1.209(8) .
C34 N24 1.370(9) .
C34 N23 1.401(9) .
C35 N22 1.455(9) .
C35 N1 1.477(8) .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C36 N24 1.423(9) .
C36 N3 1.454(8) .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C37 H37C 0.9700 .
C38 H38A 0.9700 .
C38 H38B 0.9700 .
C38 H38C 0.9700 .
C39 H39A 0.9700 .
C39 H39B 0.9700 .
C39 H39C 0.9700 .
C40 H40A 0.9700 .
C40 H40B 0.9700 .
C40 H40C 0.9700 .
C41 H41A 0.9700 .
C41 H41B 0.9700 .
C41 H41C 0.9700 .
C42 H42A 0.9700 .
C42 H42B 0.9700 .
C42 H42C 0.9700 .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C43 H43C 0.9700 .
C44 H44A 0.9700 .
C44 H44B 0.9700 .
C44 H44C 0.9700 .
O6 Ba1 3.029(5) 2_766
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.018 -0.001 -0.009 1465 600 ' '
2 0.290 0.490 0.740 78 25 ' '
3 0.710 0.509 0.260 78 16 ' '
