#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:23:13 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179893 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/89/7018980.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_7018980
loop_
_publ_author_name
'Martínez Belmonte, Marta'
'Escudero-Adán, Eduardo C'
'Martin, Eddy'
'Kleij, Arjan W.'
_publ_section_title
;
 Isolation and characterization of unusual multinuclear Schiff base
 complexes: rearrangements reactions and octanuclear cluster formation.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5193
_journal_page_last               5200
_journal_paper_doi               10.1039/c2dt30201b
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C50 H76 N4 O18 S6 Zn4'
_chemical_formula_weight         1474.99
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.509(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.894(3)
_cell_length_b                   14.973(3)
_cell_length_c                   15.988(3)
_cell_measurement_reflns_used    9945
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.86
_cell_measurement_theta_min      2.17
_cell_volume                     3154.0(11)
_computing_cell_refinement       'Bruker APEX2 v2009.1-0'
_computing_data_collection       'Bruker APEX2 v2009.1-0'
_computing_data_reduction        'Bruker SAINT V7.60A'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 512
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Kappa 4-axis goniometer bruker-nonius'
_diffrn_measurement_method
;
Fullsphere data collection, phi and omega scans
;
_diffrn_measurement_specimen_support
'magnetic support whith 10 micron nylon fiber cryoloop'
_diffrn_radiation_monochromator  'Multilayer Montel 200 mirrors'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1161
_diffrn_reflns_av_sigmaI/netI    0.0519
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            85277
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.52
_diffrn_reflns_theta_min         1.70
_diffrn_source                   'rotating anode X-ray tube'
_diffrn_source_current           70
_diffrn_source_power             50
_diffrn_source_size              '3 mm x 0.3 mm fine focus'
_diffrn_source_type              'Bruker-Nonius FR 591'
_exptl_absorpt_coefficient_mu    1.770
_exptl_absorpt_correction_T_max  0.9655
_exptl_absorpt_correction_T_min  0.8428
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS Version 2008/1 Bruker-Nonius
Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1528
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.820
_refine_diff_density_min         -0.912
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     432
_refine_ls_number_reflns         5835
_refine_ls_number_restraints     101
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0875
_refine_ls_R_factor_gt           0.0543
_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)+(0.0576P)²+15.4387P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1279
_refine_ls_wR_factor_ref         0.1491
_reflns_number_gt                4239
_reflns_number_total             5835
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30201b.txt
_cod_data_source_block           mo_ak923_1_0m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_diffrn_measurement_specimen_suppport' tag replaced with
'_diffrn_measurement_specimen_support'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        3154.0(10)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7018980
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.07747(5) 0.57740(4) 0.99494(4) 0.02290(18) Uani 1 1 d . . .
Zn2 Zn 0.11394(5) 0.79043(4) 0.95878(4) 0.02300(18) Uani 1 1 d . . .
O1 O -0.0648(3) 0.5556(2) 1.0048(3) 0.0275(9) Uani 1 1 d . . .
O2 O 0.0184(3) 0.7031(2) 0.9818(3) 0.0273(9) Uani 1 1 d . . .
O3 O 0.1144(3) 0.5835(3) 0.8826(3) 0.0301(9) Uani 1 1 d . . .
O4 O 0.1363(3) 0.7283(3) 0.8561(3) 0.0308(9) Uani 1 1 d . . .
O5 O 0.2295(3) 0.7456(3) 1.0671(3) 0.0336(10) Uani 1 1 d . . .
O6 O 0.1989(3) 0.6030(2) 1.0957(3) 0.0299(9) Uani 1 1 d . . .
N1 N -0.0072(3) 0.8817(3) 0.9248(3) 0.0207(10) Uani 1 1 d . . .
N2 N 0.1945(3) 0.9076(3) 0.9592(3) 0.0225(10) Uani 1 1 d . . .
H2A H 0.2297 0.9233 1.0164 0.027 Uiso 1 1 calc R . .
H2B H 0.2409 0.8983 0.9298 0.027 Uiso 1 1 calc R . .
C1 C -0.1272(4) 0.6259(4) 0.9832(4) 0.0253(12) Uani 1 1 d . . .
C2 C -0.2281(4) 0.6247(4) 0.9732(4) 0.0262(13) Uani 1 1 d . . .
H2 H -0.2591 0.5708 0.9826 0.031 Uiso 1 1 calc R . .
C3 C -0.2864(4) 0.7015(4) 0.9493(4) 0.0273(13) Uani 1 1 d . . .
H3 H -0.3565 0.6998 0.9435 0.033 Uiso 1 1 calc R . .
C4 C -0.2433(4) 0.7804(4) 0.9340(4) 0.0234(12) Uani 1 1 d . . .
H4 H -0.2841 0.8323 0.9168 0.028 Uiso 1 1 calc R . .
C5 C -0.0796(4) 0.7070(4) 0.9703(4) 0.0212(11) Uani 1 1 d . . .
C6 C -0.1391(4) 0.7839(3) 0.9437(3) 0.0195(11) Uani 1 1 d . . .
C7 C -0.0986(4) 0.8675(3) 0.9245(3) 0.0198(11) Uani 1 1 d . . .
H7 H -0.1439 0.9168 0.9102 0.024 Uiso 1 1 calc R . .
C8 C 0.0233(4) 0.9670(3) 0.9016(3) 0.0200(11) Uani 1 1 d . . .
C9 C -0.0433(4) 1.0372(4) 0.8637(4) 0.0234(12) Uani 1 1 d . . .
H9 H -0.1141 1.0297 0.8529 0.028 Uiso 1 1 calc R . .
C10 C -0.0071(4) 1.1175(3) 0.8418(3) 0.0236(12) Uani 1 1 d . . .
C11 C 0.0956(4) 1.1285(3) 0.8558(3) 0.0207(11) Uani 1 1 d . . .
C12 C 0.1609(4) 1.0586(3) 0.8927(4) 0.0231(12) Uani 1 1 d . . .
H12 H 0.2314 1.0655 0.9015 0.028 Uiso 1 1 calc R . .
C13 C 0.1265(4) 0.9796(3) 0.9171(3) 0.0219(12) Uani 1 1 d . . .
C14 C -0.0805(4) 1.1914(4) 0.8025(4) 0.0327(14) Uani 1 1 d . . .
H14A H -0.0590 1.2460 0.8372 0.049 Uiso 1 1 calc R . .
H14B H -0.1484 1.1744 0.8031 0.049 Uiso 1 1 calc R . .
H14C H -0.0822 1.2019 0.7416 0.049 Uiso 1 1 calc R . .
C15 C 0.1366(4) 1.2146(4) 0.8326(4) 0.0284(13) Uani 1 1 d . . .
H15A H 0.1076 1.2253 0.7691 0.043 Uiso 1 1 calc R . .
H15B H 0.2106 1.2107 0.8487 0.043 Uiso 1 1 calc R . .
H15C H 0.1182 1.2638 0.8649 0.043 Uiso 1 1 calc R . .
C16 C 0.1348(4) 0.6454(4) 0.8386(4) 0.0263(13) Uani 1 1 d . . .
C17 C 0.1625(5) 0.6195(4) 0.7581(4) 0.0379(15) Uani 1 1 d . . .
H17A H 0.1383 0.6654 0.7126 0.057 Uiso 1 1 calc R . .
H17B H 0.1309 0.5622 0.7355 0.057 Uiso 1 1 calc R . .
H17C H 0.2364 0.6141 0.7738 0.057 Uiso 1 1 calc R . .
C18 C 0.2495(5) 0.6749(4) 1.1123(4) 0.0316(14) Uani 1 1 d . . .
C19 C 0.3352(6) 0.6770(5) 1.1966(5) 0.056(2) Uani 1 1 d . . .
H19A H 0.3905 0.7134 1.1890 0.084 Uiso 1 1 calc R . .
H19B H 0.3596 0.6160 1.2131 0.084 Uiso 1 1 calc R . .
H19C H 0.3120 0.7029 1.2431 0.084 Uiso 1 1 calc R . .
S1S S -0.10704(11) 0.53220(10) 0.69680(10) 0.0287(3) Uani 1 1 d D . .
O1S O -0.2008(3) 0.5039(3) 0.6255(3) 0.0401(11) Uani 1 1 d D . .
C1S C -0.1482(5) 0.5822(4) 0.7792(5) 0.0426(17) Uani 1 1 d D . .
H1S1 H -0.1888 0.6353 0.7551 0.064 Uiso 1 1 calc R . .
H1S2 H -0.0891 0.5997 0.8290 0.064 Uiso 1 1 calc R . .
H1S3 H -0.1895 0.5396 0.7994 0.064 Uiso 1 1 calc R . .
C2S C -0.0542(5) 0.4341(4) 0.7573(4) 0.0361(15) Uani 1 1 d D . .
H2S1 H -0.1068 0.4026 0.7745 0.054 Uiso 1 1 calc R . .
H2S2 H 0.0013 0.4509 0.8102 0.054 Uiso 1 1 calc R . .
H2S3 H -0.0281 0.3950 0.7203 0.054 Uiso 1 1 calc R . .
S1T S 0.10870(14) 0.95759(14) 0.60698(13) 0.0416(5) Uani 0.90 1 d PU A 1
O1T O 0.0532(5) 0.8918(5) 0.5403(5) 0.0692(17) Uani 0.90 1 d PU A 1
C1T C 0.1817(8) 0.8975(7) 0.6994(7) 0.067(2) Uani 0.90 1 d PU A 1
H1T1 H 0.1377 0.8570 0.7189 0.100 Uiso 0.90 1 calc PR A 1
H1T2 H 0.2149 0.9392 0.7471 0.100 Uiso 0.90 1 calc PR A 1
H1T3 H 0.2334 0.8628 0.6839 0.100 Uiso 0.90 1 calc PR A 1
C2T C 0.0185(7) 1.0021(8) 0.6518(7) 0.067(3) Uani 0.90 1 d PU A 1
H2T1 H -0.0266 1.0429 0.6092 0.100 Uiso 0.90 1 calc PR A 1
H2T2 H 0.0535 1.0347 0.7062 0.100 Uiso 0.90 1 calc PR A 1
H2T3 H -0.0215 0.9534 0.6652 0.100 Uiso 0.90 1 calc PR A 1
S1T' S 0.0802(16) 0.9010(14) 0.6648(14) 0.059(2) Uani 0.10 1 d PDU B 2
O1T' O 0.060(5) 0.857(3) 0.577(2) 0.0692(17) Uani 0.10 1 d PDU B 2
C1T' C 0.2130(19) 0.906(5) 0.713(5) 0.064(6) Uani 0.10 1 d PDU B 2
H1T4 H 0.2416 0.9451 0.6776 0.096 Uiso 0.10 1 calc PR B 2
H1T5 H 0.2416 0.8457 0.7144 0.096 Uiso 0.10 1 calc PR B 2
H1T6 H 0.2299 0.9293 0.7729 0.096 Uiso 0.10 1 calc PR B 2
C2T' C 0.060(6) 1.0178(16) 0.645(4) 0.051(4) Uani 0.10 1 d PDU B 2
H2T4 H 0.1016 1.0389 0.6094 0.077 Uiso 0.10 1 calc PR B 2
H2T5 H 0.0797 1.0497 0.7013 0.077 Uiso 0.10 1 calc PR B 2
H2T6 H -0.0117 1.0288 0.6131 0.077 Uiso 0.10 1 calc PR B 2
S1V S 0.44897(12) 0.84352(12) 0.91790(11) 0.0375(4) Uani 1 1 d U . .
O1V O 0.3732(3) 0.9183(3) 0.8955(3) 0.0441(11) Uani 1 1 d U C .
C1V C 0.3849(9) 0.7458(8) 0.9295(8) 0.041(3) Uani 0.65 1 d PU C 1
H1V1 H 0.3540 0.7542 0.9762 0.061 Uiso 0.65 1 calc PR C 1
H1V2 H 0.4331 0.6960 0.9450 0.061 Uiso 0.65 1 calc PR C 1
H1V3 H 0.3318 0.7326 0.8737 0.061 Uiso 0.65 1 calc PR C 1
C2V C 0.5260(13) 0.8584(11) 1.0278(10) 0.058(4) Uani 0.65 1 d PU C 1
H2V1 H 0.5581 0.9174 1.0344 0.086 Uiso 0.65 1 calc PR C 1
H2V2 H 0.5785 0.8121 1.0435 0.086 Uiso 0.65 1 calc PR C 1
H2V3 H 0.4843 0.8541 1.0669 0.086 Uiso 0.65 1 calc PR C 1
C1V' C 0.3986(18) 0.7645(18) 0.9787(17) 0.053(5) Uani 0.35 1 d PU C 2
H1V4 H 0.4024 0.7901 1.0361 0.080 Uiso 0.35 1 calc PR C 2
H1V5 H 0.4383 0.7093 0.9876 0.080 Uiso 0.35 1 calc PR C 2
H1V6 H 0.3276 0.7514 0.9454 0.080 Uiso 0.35 1 calc PR C 2
C2V' C 0.550(2) 0.887(2) 1.006(2) 0.048(6) Uani 0.35 1 d PU C 2
H2V4 H 0.5802 0.9382 0.9854 0.072 Uiso 0.35 1 calc PR C 2
H2V5 H 0.6022 0.8406 1.0279 0.072 Uiso 0.35 1 calc PR C 2
H2V6 H 0.5249 0.9057 1.0539 0.072 Uiso 0.35 1 calc PR C 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
O6 Zn1 O1 104.24(16) . 3_567
O6 Zn1 O3 108.97(17) . .
O1 Zn1 O3 95.42(16) 3_567 .
O6 Zn1 O2 96.72(16) . .
O1 Zn1 O2 152.57(16) 3_567 .
O3 Zn1 O2 94.25(16) . .
O6 Zn1 O1 124.31(17) . .
O1 Zn1 O1 75.79(17) 3_567 .
O3 Zn1 O1 126.62(17) . .
O2 Zn1 O1 77.84(15) . .
O2 Zn2 O4 97.71(16) . .
O2 Zn2 O5 91.06(16) . .
O4 Zn2 O5 104.81(17) . .
O2 Zn2 N2 161.58(17) . .
O4 Zn2 N2 99.85(18) . .
O5 Zn2 N2 89.81(17) . .
O2 Zn2 N1 87.04(16) . .
O4 Zn2 N1 114.32(17) . .
O5 Zn2 N1 140.73(17) . .
N2 Zn2 N1 80.71(17) . .
C1 O1 Zn1 137.2(4) . 3_567
C1 O1 Zn1 114.5(3) . .
Zn1 O1 Zn1 104.22(16) 3_567 .
C5 O2 Zn2 132.0(3) . .
C5 O2 Zn1 114.9(3) . .
Zn2 O2 Zn1 110.94(18) . .
C16 O3 Zn1 134.6(4) . .
C16 O4 Zn2 129.8(4) . .
C18 O5 Zn2 136.4(4) . .
C18 O6 Zn1 127.8(4) . .
C7 N1 C8 121.4(5) . .
C7 N1 Zn2 127.0(4) . .
C8 N1 Zn2 111.6(3) . .
C13 N2 Zn2 110.8(3) . .
O1 C1 C2 125.5(5) . .
O1 C1 C5 114.5(5) . .
C2 C1 C5 120.0(5) . .
C1 C2 C3 120.8(5) . .
C4 C3 C2 120.6(5) . .
C3 C4 C6 120.1(5) . .
O2 C5 C6 124.3(5) . .
O2 C5 C1 116.6(5) . .
C6 C5 C1 119.1(5) . .
C5 C6 C4 119.3(5) . .
C5 C6 C7 122.9(5) . .
C4 C6 C7 117.8(5) . .
N1 C7 C6 126.5(5) . .
C13 C8 C9 118.5(5) . .
C13 C8 N1 116.7(5) . .
C9 C8 N1 124.8(5) . .
C10 C9 C8 120.9(5) . .
C11 C10 C9 120.0(5) . .
C11 C10 C14 120.6(5) . .
C9 C10 C14 119.4(5) . .
C10 C11 C12 118.8(5) . .
C10 C11 C15 121.0(5) . .
C12 C11 C15 120.2(5) . .
C13 C12 C11 121.9(5) . .
C12 C13 C8 119.8(5) . .
C12 C13 N2 122.4(5) . .
C8 C13 N2 117.7(5) . .
O3 C16 O4 126.2(5) . .
O3 C16 C17 117.1(5) . .
O4 C16 C17 116.6(5) . .
O5 C18 O6 125.9(5) . .
O5 C18 C19 117.9(6) . .
O6 C18 C19 116.0(5) . .
O1S S1S C1S 106.2(3) . .
O1S S1S C2S 106.8(3) . .
C1S S1S C2S 96.9(3) . .
O1T S1T C1T 107.3(5) . .
O1T S1T C2T 105.7(5) . .
C1T S1T C2T 98.4(5) . .
O1T' S1T' C1T' 106.4(8) . .
O1T' S1T' C2T' 107.2(8) . .
C1T' S1T' C2T' 96.9(7) . .
O1V S1V C1V 107.9(4) . .
O1V S1V C2V 107.6(7) . .
C1V S1V C2V 99.7(6) . .
O1V S1V C2V' 103.8(12) . .
C1V S1V C2V' 121.6(10) . .
C2V S1V C2V' 22.9(10) . .
O1V S1V C1V' 104.7(9) . .
C1V S1V C1V' 25.9(8) . .
C2V S1V C1V' 76.2(10) . .
C2V' S1V C1V' 99.1(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O6 1.965(4) .
Zn1 O1 1.999(4) 3_567
Zn1 O3 2.020(4) .
Zn1 O2 2.037(4) .
Zn1 O1 2.059(4) .
Zn2 O2 1.979(4) .
Zn2 O4 1.995(4) .
Zn2 O5 2.064(4) .
Zn2 N2 2.080(4) .
Zn2 N1 2.101(4) .
O1 C1 1.337(7) .
O1 Zn1 1.999(4) 3_567
O2 C5 1.316(6) .
O3 C16 1.249(7) .
O4 C16 1.272(7) .
O5 C18 1.263(7) .
O6 C18 1.266(7) .
N1 C7 1.286(7) .
N1 C8 1.431(7) .
N2 C13 1.451(6) .
C1 C2 1.359(8) .
C1 C5 1.429(8) .
C2 C3 1.388(8) .
C3 C4 1.380(8) .
C4 C6 1.406(7) .
C5 C6 1.403(7) .
C6 C7 1.444(7) .
C8 C13 1.389(7) .
C8 C9 1.405(7) .
C9 C10 1.390(8) .
C10 C11 1.382(8) .
C10 C14 1.501(7) .
C11 C12 1.388(7) .
C11 C15 1.502(8) .
C12 C13 1.378(8) .
C16 C17 1.506(8) .
C18 C19 1.488(9) .
S1S O1S 1.494(4) .
S1S C1S 1.761(7) .
S1S C2S 1.783(6) .
S1T O1T 1.477(6) .
S1T C1T 1.752(11) .
S1T C2T 1.760(9) .
S1T' O1T' 1.492(7) .
S1T' C1T' 1.761(9) .
S1T' C2T' 1.783(8) .
S1V O1V 1.500(5) .
S1V C1V 1.752(12) .
S1V C2V 1.758(15) .
S1V C2V' 1.77(3) .
S1V C1V' 1.81(2) .
