#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:33:36 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179976 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/70/7027026.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7027026
loop_
_publ_author_name
'Deacon, Glen B.'
'Görtler, Bernd'
'Junk, Peter C.'
'Lork, Enno'
'Mews, Rüdiger'
'Petersen, Jan'
'Zemva, Boris'
_publ_section_title
;
 Syntheses and structures of some homoleptic acetonitrile lanthanoid(III)
 complexes
;
_journal_issue                   22
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3887
_journal_paper_doi               10.1039/a805793a
_journal_year                    1998
_chemical_formula_sum            'C24 H36 As3 F18 N12 Sm'
_chemical_formula_weight         1209.76
_chemical_name_systematic
;  
(SAPRS-9)-Nonakis(acetonitril)samarium(III)-hexafluoroarsenat(V)-
acetonitril(1/3)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-93
_cell_angle_alpha                90.00
_cell_angle_beta                 103.950(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.098(2)
_cell_length_b                   16.5100(10)
_cell_length_c                   23.949(3)
_cell_measurement_reflns_used    29
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      15.036
_cell_measurement_theta_min      14.022
_cell_volume                     4642.4(10)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens XSCANS'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       '2θ/ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoKa
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0508
_diffrn_reflns_av_sigmaI/netI    0.1286
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            13029
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.62
_diffrn_standards_decay_%        'random variation +/-2.0'
_diffrn_standards_interval_count 197
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.491
_exptl_absorpt_correction_T_max  0.7216
_exptl_absorpt_correction_T_min  0.1666
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.731
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2348
_exptl_crystal_size_max          0.8
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         .783
_refine_diff_density_min         -.700
_refine_diff_density_rms         .102
_refine_ls_extinction_coef       0.00017(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²l³/sin(2q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   0.745
_refine_ls_goodness_of_fit_obs   1.028
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     573
_refine_ls_number_reflns         10544
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.745
_refine_ls_restrained_S_obs      1.028
_refine_ls_R_factor_all          0.1252
_refine_ls_R_factor_obs          0.0419
_refine_ls_shift/esd_max         0.077
_refine_ls_shift/esd_mean        0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[s²(Fo²)+( 0.0193P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0949
_refine_ls_wR_factor_obs         0.0786
_reflns_number_observed          4141
_reflns_number_total             10544
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            805793asup1.cif
_cod_data_source_block           pet29
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w=1/[s^2^(Fo^2^)+(
0.0193P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was changed to 'calc'.
New tag '_refine_ls_weighting_details' was created. The value of the
new tag was set to 'w=1/[s^2^(Fo^2^)+( 0.0193P)^2^+0.0000P] where
P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7027026
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
Sm1 Sm 0.31014(3) 0.18071(2) 0.18833(2) 0.03369(9) Uani 1 d .
N1 N 0.4125(4) 0.2773(3) 0.1349(2) 0.0491(14) Uani 1 d .
C1 C 0.4463(6) 0.3056(4) 0.0999(3) 0.049(2) Uani 1 d .
C10 C 0.4849(7) 0.3445(4) 0.0527(3) 0.076(3) Uani 1 d .
H10A H 0.5667(12) 0.3350(29) 0.0578(14) 0.147(7) Uiso 1 calc R
H10B H 0.4703(44) 0.4028(7) 0.0530(15) 0.147(7) Uiso 1 calc R
H10C H 0.4434(36) 0.3214(25) 0.0159(3) 0.147(7) Uiso 1 calc R
N2 N 0.2343(5) 0.1549(3) 0.0818(2) 0.0505(14) Uani 1 d .
C2 C 0.2388(5) 0.1312(3) 0.0383(3) 0.046(2) Uani 1 d .
C20 C 0.2406(7) 0.0995(4) -0.0174(3) 0.076(3) Uani 1 d .
H20A H 0.2100(49) 0.1402(15) -0.0470(4) 0.147(7) Uiso 1 calc R
H20B H 0.1938(43) 0.0504(22) -0.0249(11) 0.147(7) Uiso 1 calc R
H20C H 0.3191(9) 0.0864(34) -0.0184(9) 0.147(7) Uiso 1 calc R
N3 N 0.4651(4) 0.1050(3) 0.1543(2) 0.0451(13) Uani 1 d .
C3 C 0.5388(5) 0.0887(4) 0.1355(3) 0.043(2) Uani 1 d .
C30 C 0.6373(6) 0.0731(4) 0.1122(3) 0.070(2) Uani 1 d .
H30A H 0.6128(9) 0.0683(35) 0.0703(4) 0.147(7) Uiso 1 calc R
H30B H 0.6740(29) 0.0226(19) 0.1284(19) 0.147(7) Uiso 1 calc R
H30C H 0.6915(23) 0.1180(17) 0.1223(21) 0.147(7) Uiso 1 calc R
N4 N 0.2809(5) 0.2804(3) 0.2632(2) 0.0478(14) Uani 1 d .
C4 C 0.2339(6) 0.3163(4) 0.2902(3) 0.046(2) Uani 1 d .
C40 C 0.1647(6) 0.3632(4) 0.3214(3) 0.072(3) Uani 1 d .
H40A H 0.2053(22) 0.4130(17) 0.3365(21) 0.147(7) Uiso 1 calc R
H40B H 0.1510(42) 0.3308(14) 0.3534(15) 0.147(7) Uiso 1 calc R
H40C H 0.0917(21) 0.3772(30) 0.2952(7) 0.147(7) Uiso 1 calc R
N5 N 0.1166(4) 0.1560(3) 0.2059(2) 0.0468(13) Uani 1 d .
C5 C 0.0415(6) 0.1357(4) 0.2248(3) 0.046(2) Uani 1 d .
C50 C -0.0490(7) 0.1061(4) 0.2480(3) 0.077(2) Uani 1 d .
H50A H -0.1194(13) 0.1351(24) 0.2304(18) 0.147(7) Uiso 1 calc R
H50B H -0.0301(23) 0.1147(31) 0.2897(5) 0.147(7) Uiso 1 calc R
H50C H -0.0597(32) 0.0480(8) 0.2398(21) 0.147(7) Uiso 1 calc R
N6 N 0.3388(5) 0.1065(3) 0.2835(2) 0.0525(15) Uani 1 d .
C6 C 0.3450(6) 0.0905(3) 0.3295(3) 0.043(2) Uani 1 d .
C60 C 0.3515(6) 0.0709(5) 0.3894(3) 0.073(2) Uani 1 d .
H60A H 0.3911(45) 0.0191(19) 0.3991(8) 0.147(7) Uiso 1 calc R
H60B H 0.2743(7) 0.0668(35) 0.3954(6) 0.147(7) Uiso 1 calc R
H60C H 0.3933(44) 0.1136(19) 0.4142(3) 0.147(7) Uiso 1 calc R
N7 N 0.1854(4) 0.2998(3) 0.1449(2) 0.0452(13) Uani 1 d .
C7 C 0.1417(5) 0.3601(4) 0.1309(2) 0.0416(15) Uani 1 d .
C70 C 0.0864(6) 0.4370(4) 0.1117(3) 0.069(2) Uani 1 d .
H70A H 0.0782(47) 0.4430(17) 0.0702(6) 0.147(7) Uiso 1 calc R
H70B H 0.1328(26) 0.4816(4) 0.1320(19) 0.147(7) Uiso 1 calc R
H70C H 0.0110(21) 0.4383(15) 0.1200(23) 0.147(7) Uiso 1 calc R
N8 N 0.2496(5) 0.0341(3) 0.1669(2) 0.0469(13) Uani 1 d .
C8 C 0.2020(6) -0.0232(4) 0.1505(3) 0.049(2) Uani 1 d .
C80 C 0.1407(6) -0.0959(4) 0.1264(3) 0.068(2) Uani 1 d .
H80A H 0.0709(26) -0.0806(4) 0.0981(19) 0.147(7) Uiso 1 calc R
H80B H 0.1210(44) -0.1275(18) 0.1573(5) 0.147(7) Uiso 1 calc R
H80C H 0.1889(20) -0.1285(18) 0.1076(22) 0.147(7) Uiso 1 calc R
N9 N 0.5052(5) 0.2081(3) 0.2528(2) 0.053(2) Uani 1 d .
C9 C 0.5924(6) 0.2029(4) 0.2833(3) 0.047(2) Uani 1 d .
C90 C 0.7063(5) 0.1953(4) 0.3234(3) 0.062(2) Uani 1 d .
H90A H 0.7330(22) 0.1393(9) 0.3232(19) 0.147(7) Uiso 1 calc R
H90B H 0.7012(11) 0.2099(34) 0.3623(5) 0.147(7) Uiso 1 calc R
H90C H 0.7600(13) 0.2316(26) 0.3111(14) 0.147(7) Uiso 1 calc R
As1 As 0.55288(8) 0.15836(5) -0.06531(4) 0.0574(2) Uani 1 d .
F1 F 0.5949(5) 0.1495(3) -0.1272(2) 0.116(2) Uani 1 d .
F2 F 0.5063(7) 0.2493(4) -0.0853(3) 0.189(4) Uani 1 d .
F3 F 0.5048(6) 0.1680(3) -0.0045(2) 0.134(2) Uani 1 d .
F4 F 0.4288(6) 0.1192(5) -0.1015(3) 0.175(3) Uani 1 d .
F5 F 0.6726(6) 0.1982(5) -0.0324(3) 0.227(4) Uani 1 d .
F6 F 0.5991(7) 0.0674(3) -0.0454(2) 0.188(4) Uani 1 d .
As2 As 0.07328(7) 0.32861(5) -0.06627(3) 0.0492(2) Uani 1 d .
F7 F 0.0355(4) 0.3297(3) -0.0037(2) 0.112(2) Uani 1 d .
F8 F 0.1135(5) 0.3232(3) -0.1289(2) 0.119(2) Uani 1 d .
F9 F 0.1093(5) 0.4259(3) -0.0582(2) 0.117(2) Uani 1 d .
F10 F -0.0614(4) 0.3553(3) -0.1008(2) 0.116(2) Uani 1 d .
F11 F 0.2078(4) 0.3041(3) -0.0314(2) 0.106(2) Uani 1 d .
F12 F 0.0360(5) 0.2306(3) -0.0723(3) 0.137(2) Uani 1 d .
As3 As 0.81124(9) 0.34518(4) 0.19023(5) 0.0582(2) Uani 1 d .
F13 F 0.8717(5) 0.4340(3) 0.2131(3) 0.145(2) Uani 1 d .
F14 F 0.7506(6) 0.2552(3) 0.1707(3) 0.145(2) Uani 1 d .
F15 F 0.9030(13) 0.2982(10) 0.2428(7) 0.109(5) Uani 0.50 d P
F16 F 0.7151(16) 0.3854(10) 0.1357(6) 0.140(5) Uani 0.50 d P
F17 F 0.7229(12) 0.3598(9) 0.2367(7) 0.099(4) Uani 0.50 d P
F18 F 0.8896(14) 0.3260(12) 0.1450(7) 0.151(6) Uani 0.50 d P
F19 F 0.8033(16) 0.3800(13) 0.1228(6) 0.167(7) Uani 0.50 d P
F20 F 0.8319(23) 0.3154(13) 0.2578(6) 0.186(9) Uani 0.50 d P
F21 F 0.9425(10) 0.3104(9) 0.1889(9) 0.133(5) Uani 0.50 d P
F22 F 0.6839(13) 0.3862(10) 0.1880(11) 0.153(7) Uani 0.50 d P
N100 N 0.0885(7) -0.0421(5) -0.0990(4) 0.118(3) Uani 1 d .
C101 C 0.0806(8) -0.1042(5) -0.0792(4) 0.088(3) Uani 1 d .
C102 C 0.0748(7) -0.1868(5) -0.0582(3) 0.098(3) Uani 1 d .
H10D H 0.0610(48) -0.1852(5) -0.0195(11) 0.147(7) Uiso 1 calc R
H10E H 0.1469(19) -0.2147(12) -0.0568(23) 0.147(7) Uiso 1 calc R
H10F H 0.0125(32) -0.2160(12) -0.0841(14) 0.147(7) Uiso 1 calc R
N110 N 0.6381(8) 0.4807(6) -0.0858(5) 0.167(5) Uani 1 d .
C111 C 0.6947(9) 0.4476(6) -0.0473(6) 0.111(4) Uani 1 d .
C112 C 0.7742(8) 0.3992(5) -0.0055(4) 0.104(3) Uani 1 d .
H11A H 0.7754(39) 0.4182(24) 0.0333(4) 0.147(7) Uiso 1 calc R
H11B H 0.8506(12) 0.4042(28) -0.0124(16) 0.147(7) Uiso 1 calc R
H11C H 0.7505(29) 0.3423(8) -0.0094(18) 0.147(7) Uiso 1 calc R
N120 N 0.7155(5) 0.0022(4) 0.2568(3) 0.070(2) Uani 1 d .
C121 C 0.6291(7) -0.0259(4) 0.2580(3) 0.056(2) Uani 1 d .
C122 C 0.5204(6) -0.0628(4) 0.2586(3) 0.063(2) Uani 1 d .
H12A H 0.4640(14) -0.0203(4) 0.2589(25) 0.147(7) Uiso 1 calc R
H12B H 0.5290(13) -0.0965(28) 0.2930(13) 0.147(7) Uiso 1 calc R
H12C H 0.4948(25) -0.0965(28) 0.2242(13) 0.147(7) Uiso 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N .0061 .0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F .0171 .0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As .0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sm Sm -.1638 3.4418 '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_publ_flag
N5 Sm1 N4 71.9(2) y
N5 Sm1 N9 134.2(2) y
N4 Sm1 N9 73.7(2) y
N5 Sm1 N2 90.9(2) y
N4 Sm1 N2 138.4(2) y
N9 Sm1 N2 134.7(2) y
N5 Sm1 N6 72.6(2) y
N4 Sm1 N6 71.8(2) y
N9 Sm1 N6 68.4(2) y
N2 Sm1 N6 139.7(2) y
N5 Sm1 N7 73.1(2) y
N4 Sm1 N7 67.34(15) y
N9 Sm1 N7 119.1(2) y
N2 Sm1 N7 71.5(2) y
N6 Sm1 N7 132.8(2) y
N5 Sm1 N1 140.6(2) y
N4 Sm1 N1 96.7(2) y
N9 Sm1 N1 72.5(2) y
N2 Sm1 N1 72.6(2) y
N6 Sm1 N1 140.9(2) y
N7 Sm1 N1 67.9(2) y
N5 Sm1 N3 139.7(2) y
N4 Sm1 N3 142.1(2) y
N9 Sm1 N3 68.4(2) y
N2 Sm1 N3 73.2(2) y
N6 Sm1 N3 95.7(2) y
N7 Sm1 N3 131.2(2) y
N1 Sm1 N3 70.2(2) y
N5 Sm1 N8 69.2(2) y
N4 Sm1 N8 132.9(2) y
N9 Sm1 N8 118.3(2) y
N2 Sm1 N8 67.7(2) y
N6 Sm1 N8 72.1(2) y
N7 Sm1 N8 122.6(2) y
N1 Sm1 N8 130.2(2) y
N3 Sm1 N8 70.5(2) y
C1 N1 Sm1 161.4(5) y
N1 C1 C10 177.1(8) y
C2 N2 Sm1 154.8(6) y
N2 C2 C20 177.9(7) y
C3 N3 Sm1 164.2(5) y
N3 C3 C30 176.1(7) y
C4 N4 Sm1 158.2(5) y
N4 C4 C40 175.4(7) y
C5 N5 Sm1 164.6(5) y
N5 C5 C50 176.7(7) y
C6 N6 Sm1 164.2(5) y
N6 C6 C60 178.8(7) y
C7 N7 Sm1 169.7(5) y
N7 C7 C70 178.8(7) y
C8 N8 Sm1 165.0(5) y
N8 C8 C80 177.1(7) y
C9 N9 Sm1 165.2(5) y
N9 C9 C90 179.4(7) y
F5 As1 F2 88.5(4) ?
F5 As1 F6 91.6(4) ?
F2 As1 F6 179.8(4) ?
F5 As1 F4 177.9(4) ?
F2 As1 F4 90.0(4) ?
F6 As1 F4 89.8(4) ?
F5 As1 F1 92.2(4) ?
F2 As1 F1 88.7(3) ?
F6 As1 F1 91.3(3) ?
F4 As1 F1 86.2(3) ?
F5 As1 F3 89.7(4) ?
F2 As1 F3 90.0(3) ?
F6 As1 F3 90.0(3) ?
F4 As1 F3 91.8(3) ?
F1 As1 F3 177.6(3) ?
F9 As2 F7 90.3(3) ?
F9 As2 F12 178.1(3) ?
F7 As2 F12 87.8(3) ?
F9 As2 F8 91.8(3) ?
F7 As2 F8 177.5(3) ?
F12 As2 F8 90.1(3) ?
F9 As2 F11 88.8(3) ?
F7 As2 F11 89.9(2) ?
F12 As2 F11 91.1(3) ?
F8 As2 F11 88.7(2) ?
F9 As2 F10 90.0(3) ?
F7 As2 F10 89.8(3) ?
F12 As2 F10 90.1(3) ?
F8 As2 F10 91.6(2) ?
F11 As2 F10 178.8(3) ?
F18 As3 F15 91.3(7) ?
F18 As3 F16 87.9(8) ?
F16 As3 F15 175.6(8) ?
F18 As3 F13 96.2(7) ?
F15 As3 F13 90.1(6) ?
F16 As3 F13 94.3(6) ?
F18 As3 F14 85.9(7) ?
F15 As3 F14 88.0(6) ?
F16 As3 F14 87.6(6) ?
F13 As3 F14 177.2(3) ?
F18 As3 F17 176.2(8) ?
F15 As3 F17 88.9(6) ?
F16 As3 F17 91.5(7) ?
F13 As3 F17 87.5(5) ?
F14 As3 F17 90.4(5) ?
N100 C101 C102 174.6(12) ?
N110 C111 C112 170.6(15) ?
N120 C121 C122 178.7(8) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Sm1 N5 2.510(5) y
Sm1 N4 2.521(5) y
Sm1 N9 2.530(5) y
Sm1 N2 2.530(5) y
Sm1 N6 2.537(5) y
Sm1 N7 2.543(5) y
Sm1 N1 2.545(5) y
Sm1 N3 2.545(5) y
Sm1 N8 2.546(5) y
N1 C1 1.120(7) y
C1 C10 1.470(9) ?
N2 C2 1.127(7) y
C2 C20 1.439(8) ?
N3 C3 1.123(7) y
C3 C30 1.456(9) ?
N4 C4 1.126(7) y
C4 C40 1.470(9) ?
N5 C5 1.158(8) y
C5 C50 1.428(9) ?
N6 C6 1.117(7) y
C6 C60 1.456(8) ?
N7 C7 1.140(7) y
C7 C70 1.458(8) ?
N8 C8 1.127(7) y
C8 C80 1.455(8) ?
N9 C9 1.132(7) y
C9 C90 1.483(8) ?
As1 F5 1.613(6) ?
As1 F2 1.634(5) ?
As1 F6 1.634(5) ?
As1 F4 1.672(6) ?
As1 F1 1.685(5) ?
As1 F3 1.701(5) ?
As2 F9 1.663(4) ?
As2 F7 1.668(5) ?
As2 F12 1.677(5) ?
As2 F8 1.688(5) ?
As2 F11 1.690(4) ?
As2 F10 1.698(5) ?
As3 F18 1.633(14) ?
As3 F20 1.653(14) ?
As3 F15 1.656(13) ?
As3 F16 1.664(12) ?
As3 F13 1.671(5) ?
As3 F22 1.672(14) ?
As3 F14 1.672(5) ?
As3 F19 1.696(14) ?
As3 F21 1.697(11) ?
As3 F17 1.736(13) ?
N100 C101 1.143(11) ?
C101 C102 1.462(10) ?
N110 C111 1.146(13) ?
C111 C112 1.449(12) ?
N120 C121 1.151(8) ?
C121 C122 1.452(9) ?
