#------------------------------------------------------------------------------
#$Date: 2016-03-21 17:50:02 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178794 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/48/4104817.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_4104817
loop_
_publ_author_name
'William J. Evans'
'Ming Fang'
'Gaël Zucchi'
'Filipp Furche'
'Joseph W. Ziller'
'Ryan M. Hoekstra'
'Jeffrey I. Zink'
_publ_section_title
;
 Isolation of Dysprosium and Yttrium Complexes of a Three-Electron
 Reduction Product in the Activation of Dinitrogen, the (N2)3- Radical
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11195
_journal_page_last               11202
_journal_paper_doi               10.1021/ja9036753
_journal_volume                  131
_journal_year                    2009
_chemical_formula_sum            'C86 H132 Dy2 N2 O8'
_chemical_formula_weight         1646.94
_chemical_name_systematic
; 
 ? 
;
_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           SHELXTL
_cell_angle_alpha                90.00
_cell_angle_beta                 105.2250(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.5427(5)
_cell_length_b                   12.0654(4)
_cell_length_c                   24.6783(8)
_cell_measurement_temperature    178(2)
_cell_volume                     4465.5(3)
_computing_cell_refinement       'Bruker SMART/SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      178(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0599
_diffrn_reflns_av_sigmaI/netI    0.0526
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            47317
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.71
_diffrn_standards_decay_%        '< 1.0'
_diffrn_standards_interval_count 'initial 50 frames recollected'
_diffrn_standards_number         '50 frames'
_exptl_absorpt_coefficient_mu    1.710
_exptl_absorpt_correction_T_max  0.8083
_exptl_absorpt_correction_T_min  0.6945
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.225
_exptl_crystal_density_meas      ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1716
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.13
_refine_diff_density_max         2.170
_refine_diff_density_min         -0.771
_refine_diff_density_rms         0.183
_refine_ls_extinction_coef       0.0015(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXTL
_refine_ls_goodness_of_fit_ref   1.122
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     396
_refine_ls_number_reflns         10911
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.122
_refine_ls_R_factor_all          0.0804
_refine_ls_R_factor_gt           0.0494
_refine_ls_shift/su_max          0.179
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0745P)²+17.9855P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1476
_refine_ls_wR_factor_ref         0.1664
_reflns_number_gt                7860
_reflns_number_total             10911
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja9036753_si_002.cif
_cod_data_source_block           gz23
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               4104817
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_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Dy1 Dy 0.141524(17) 0.54466(2) 0.044342(10) 0.02535(11) Uani 1 1 d .
O1 O 0.1811(3) 0.6135(3) -0.02595(15) 0.0297(9) Uani 1 1 d .
O2 O 0.1679(3) 0.4098(4) 0.10370(16) 0.0326(9) Uani 1 1 d .
O3 O 0.1101(3) 0.7044(4) 0.09504(16) 0.0310(9) Uani 1 1 d .
O4 O 0.2955(3) 0.5993(4) 0.09669(17) 0.0354(10) Uani 1 1 d .
N1 N -0.0137(3) 0.5405(4) 0.01136(19) 0.0289(10) Uani 1 1 d .
C1 C 0.1938(4) 0.6529(6) -0.0744(2) 0.0324(13) Uani 1 1 d .
C2 C 0.1628(5) 0.7597(6) -0.0941(3) 0.0383(15) Uani 1 1 d .
C3 C 0.1725(6) 0.7949(7) -0.1465(3) 0.057(2) Uani 1 1 d .
H3A H 0.1515 0.8644 -0.1600 0.069 Uiso 1 1 calc R
C4 C 0.2126(7) 0.7284(8) -0.1783(3) 0.074(3) Uani 1 1 d .
H4A H 0.2182 0.7532 -0.2129 0.089 Uiso 1 1 calc R
C5 C 0.2441(6) 0.6258(8) -0.1588(3) 0.057(2) Uani 1 1 d .
H5A H 0.2706 0.5816 -0.1808 0.069 Uiso 1 1 calc R
C6 C 0.2378(4) 0.5856(6) -0.1069(3) 0.0367(14) Uani 1 1 d .
C7 C 0.1172(5) 0.8390(6) -0.0613(3) 0.0373(15) Uani 1 1 d .
C8 C 0.1785(5) 0.8619(6) -0.0029(3) 0.0434(16) Uani 1 1 d .
H8A H 0.1933 0.7932 0.0170 0.065 Uiso 1 1 calc R
H8B H 0.1485 0.9095 0.0175 0.065 Uiso 1 1 calc R
H8C H 0.2320 0.8973 -0.0065 0.065 Uiso 1 1 calc R
C9 C 0.0294(5) 0.7888(6) -0.0573(3) 0.0444(17) Uani 1 1 d .
H9A H 0.0403 0.7177 -0.0394 0.067 Uiso 1 1 calc R
H9B H -0.0095 0.7803 -0.0944 0.067 Uiso 1 1 calc R
H9C H 0.0019 0.8368 -0.0357 0.067 Uiso 1 1 calc R
C10 C 0.0955(6) 0.9528(6) -0.0895(3) 0.053(2) Uani 1 1 d .
H10A H 0.0668 0.9983 -0.0675 0.080 Uiso 1 1 calc R
H10B H 0.0565 0.9434 -0.1264 0.080 Uiso 1 1 calc R
H10C H 0.1497 0.9879 -0.0922 0.080 Uiso 1 1 calc R
C11 C 0.2773(5) 0.4713(6) -0.0879(3) 0.0382(15) Uani 1 1 d .
C12 C 0.2047(5) 0.3904(7) -0.0819(4) 0.054(2) Uani 1 1 d .
H12A H 0.1603 0.3845 -0.1172 0.081 Uiso 1 1 calc R
H12B H 0.1776 0.4170 -0.0537 0.081 Uiso 1 1 calc R
H12C H 0.2307 0.3189 -0.0712 0.081 Uiso 1 1 calc R
C13 C 0.3234(5) 0.4190(7) -0.1296(3) 0.0509(19) Uani 1 1 d .
H13A H 0.2809 0.4097 -0.1654 0.076 Uiso 1 1 calc R
H13B H 0.3474 0.3480 -0.1157 0.076 Uiso 1 1 calc R
H13C H 0.3708 0.4664 -0.1338 0.076 Uiso 1 1 calc R
C14 C 0.3504(5) 0.4839(7) -0.0321(3) 0.0465(18) Uani 1 1 d .
H14A H 0.3250 0.5169 -0.0044 0.070 Uiso 1 1 calc R
H14B H 0.3972 0.5305 -0.0379 0.070 Uiso 1 1 calc R
H14C H 0.3742 0.4123 -0.0193 0.070 Uiso 1 1 calc R
C15 C 0.1746(4) 0.3234(6) 0.1396(2) 0.0355(14) Uani 1 1 d .
C16 C 0.2172(4) 0.2234(6) 0.1308(3) 0.0385(15) Uani 1 1 d .
C17 C 0.2176(5) 0.1340(6) 0.1675(3) 0.0496(18) Uani 1 1 d .
H17A H 0.2453 0.0681 0.1623 0.059 Uiso 1 1 calc R
C18 C 0.1779(6) 0.1424(7) 0.2109(3) 0.054(2) Uani 1 1 d .
H18A H 0.1777 0.0817 0.2342 0.065 Uiso 1 1 calc R
C19 C 0.1390(6) 0.2382(7) 0.2200(3) 0.055(2) Uani 1 1 d .
H19A H 0.1130 0.2416 0.2499 0.066 Uiso 1 1 calc R
C20 C 0.1361(5) 0.3333(6) 0.1865(2) 0.0390(15) Uani 1 1 d .
C21 C 0.2593(5) 0.2066(6) 0.0818(3) 0.0450(17) Uani 1 1 d .
C22 C 0.3108(5) 0.0972(7) 0.0860(4) 0.061(2) Uani 1 1 d .
H22A H 0.3582 0.0966 0.1200 0.091 Uiso 1 1 calc R
H22B H 0.3353 0.0902 0.0543 0.091 Uiso 1 1 calc R
H22C H 0.2711 0.0364 0.0864 0.091 Uiso 1 1 calc R
C23 C 0.3262(5) 0.2977(7) 0.0792(4) 0.058(2) Uani 1 1 d .
H23A H 0.3719 0.2999 0.1140 0.087 Uiso 1 1 calc R
H23B H 0.2961 0.3679 0.0729 0.087 Uiso 1 1 calc R
H23C H 0.3527 0.2825 0.0489 0.087 Uiso 1 1 calc R
C24 C 0.1843(5) 0.2012(8) 0.0263(3) 0.053(2) Uani 1 1 d .
H24A H 0.1496 0.2680 0.0219 0.079 Uiso 1 1 calc R
H24B H 0.1466 0.1386 0.0272 0.079 Uiso 1 1 calc R
H24C H 0.2104 0.1936 -0.0048 0.079 Uiso 1 1 calc R
C25 C 0.0923(5) 0.4402(6) 0.1999(2) 0.0397(16) Uani 1 1 d .
C26 C 0.0597(6) 0.4297(7) 0.2539(3) 0.055(2) Uani 1 1 d .
H26A H 0.0164 0.3713 0.2492 0.083 Uiso 1 1 calc R
H26B H 0.0330 0.4983 0.2607 0.083 Uiso 1 1 calc R
H26C H 0.1094 0.4129 0.2852 0.083 Uiso 1 1 calc R
C27 C 0.0106(5) 0.4684(7) 0.1529(3) 0.0450(17) Uani 1 1 d .
H27A H -0.0311 0.4082 0.1477 0.068 Uiso 1 1 calc R
H27B H 0.0280 0.4804 0.1188 0.068 Uiso 1 1 calc R
H27C H -0.0167 0.5343 0.1624 0.068 Uiso 1 1 calc R
C28 C 0.1604(5) 0.5353(6) 0.2102(3) 0.0413(16) Uani 1 1 d .
H28A H 0.1327 0.6019 0.2186 0.062 Uiso 1 1 calc R
H28B H 0.1809 0.5465 0.1771 0.062 Uiso 1 1 calc R
H28C H 0.2101 0.5169 0.2412 0.062 Uiso 1 1 calc R
C29 C 0.1718(4) 0.7779(6) 0.1342(3) 0.0367(14) Uani 1 1 d .
H29A H 0.2077 0.8201 0.1148 0.044 Uiso 1 1 calc R
H29B H 0.2112 0.7354 0.1640 0.044 Uiso 1 1 calc R
C30 C 0.1123(5) 0.8553(7) 0.1581(3) 0.0493(18) Uani 1 1 d .
H30A H 0.1363 0.8647 0.1983 0.059 Uiso 1 1 calc R
H30B H 0.1073 0.9274 0.1402 0.059 Uiso 1 1 calc R
C31 C 0.0236(5) 0.7984(6) 0.1452(3) 0.0404(15) Uani 1 1 d .
H31A H 0.0214 0.7441 0.1738 0.049 Uiso 1 1 calc R
H31B H -0.0244 0.8513 0.1421 0.049 Uiso 1 1 calc R
C32 C 0.0186(4) 0.7440(6) 0.0901(3) 0.0396(15) Uani 1 1 d .
H32A H -0.0232 0.6826 0.0837 0.047 Uiso 1 1 calc R
H32B H 0.0002 0.7965 0.0595 0.047 Uiso 1 1 calc R
C33 C 0.3507(4) 0.6832(6) 0.0796(3) 0.0430(16) Uani 1 1 d .
H33A H 0.3438 0.7544 0.0963 0.052 Uiso 1 1 calc R
H33B H 0.3345 0.6912 0.0391 0.052 Uiso 1 1 calc R
C34 C 0.4466(4) 0.6411(7) 0.1010(3) 0.0470(17) Uani 1 1 d .
H34A H 0.4678 0.6118 0.0703 0.056 Uiso 1 1 calc R
H34B H 0.4859 0.7006 0.1189 0.056 Uiso 1 1 calc R
C35 C 0.4435(5) 0.5509(8) 0.1430(4) 0.058(2) Uani 1 1 d .
H35A H 0.4875 0.5640 0.1783 0.069 Uiso 1 1 calc R
H35B H 0.4543 0.4788 0.1287 0.069 Uiso 1 1 calc R
C36 C 0.3486(5) 0.5583(7) 0.1502(3) 0.0463(18) Uani 1 1 d .
H36A H 0.3278 0.4860 0.1584 0.056 Uiso 1 1 calc R
H36B H 0.3462 0.6089 0.1803 0.056 Uiso 1 1 calc R
C37 C 0.5478(7) -0.1376(10) 0.2157(5) 0.175(8) Uiso 1 1 d G
C38 C 0.5690(6) -0.2268(9) 0.2525(5) 0.106(4) Uiso 1 1 d G
H38A H 0.6248 -0.2598 0.2593 0.127 Uiso 1 1 calc R
C39 C 0.5066(9) -0.2666(9) 0.2790(4) 0.193(9) Uiso 1 1 d G
H39A H 0.5207 -0.3262 0.3036 0.231 Uiso 1 1 calc R
C40 C 0.4231(8) -0.2171(11) 0.2688(5) 0.171(8) Uiso 1 1 d G
H40A H 0.3813 -0.2438 0.2865 0.205 Uiso 1 1 calc R
C41 C 0.4019(6) -0.1279(11) 0.2320(5) 0.159(7) Uiso 1 1 d G
H41A H 0.3461 -0.0949 0.2252 0.190 Uiso 1 1 calc R
C42 C 0.4643(8) -0.0881(8) 0.2055(4) 0.109(4) Uiso 1 1 d G
H42A H 0.4502 -0.0285 0.1809 0.131 Uiso 1 1 calc R
C43 C 0.6250(17) -0.120(2) 0.1948(11) 0.229(11) Uiso 1 1 d .
H43A H 0.6708 -0.1717 0.2120 0.344 Uiso 1 1 calc R
H43B H 0.6467 -0.0456 0.2036 0.344 Uiso 1 1 calc R
H43C H 0.6089 -0.1298 0.1548 0.344 Uiso 1 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 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'
Dy Dy -0.1892 4.4098 '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
O1 Dy1 O2 142.68(16) . .
O1 Dy1 N1 102.41(16) . .
O2 Dy1 N1 102.42(16) . .
O1 Dy1 N1 94.26(16) . 3_565
O2 Dy1 N1 92.77(16) . 3_565
N1 Dy1 N1 31.2(2) . 3_565
O1 Dy1 O3 104.40(15) . .
O2 Dy1 O3 106.17(15) . .
N1 Dy1 O3 82.33(15) . .
N1 Dy1 O3 113.51(15) 3_565 .
O1 Dy1 O4 82.94(15) . .
O2 Dy1 O4 82.08(16) . .
N1 Dy1 O4 161.84(16) . .
N1 Dy1 O4 166.93(16) 3_565 .
O3 Dy1 O4 79.52(14) . .
C1 O1 Dy1 171.7(4) . .
C15 O2 Dy1 173.7(4) . .
C29 O3 C32 108.0(5) . .
C29 O3 Dy1 129.5(4) . .
C32 O3 Dy1 122.5(4) . .
C36 O4 C33 105.2(5) . .
C36 O4 Dy1 128.5(4) . .
C33 O4 Dy1 126.3(4) . .
N1 N1 Dy1 74.4(4) 3_565 .
N1 N1 Dy1 74.4(4) 3_565 3_565
Dy1 N1 Dy1 148.8(2) . 3_565
O1 C1 C2 120.6(5) . .
O1 C1 C6 119.9(6) . .
C2 C1 C6 119.5(5) . .
C3 C2 C1 118.7(6) . .
C3 C2 C7 118.1(6) . .
C1 C2 C7 123.2(5) . .
C4 C3 C2 121.4(7) . .
C5 C4 C3 119.9(7) . .
C4 C5 C6 122.0(7) . .
C5 C6 C1 118.3(6) . .
C5 C6 C11 118.2(6) . .
C1 C6 C11 123.4(5) . .
C9 C7 C8 111.0(5) . .
C9 C7 C10 106.9(6) . .
C8 C7 C10 105.9(6) . .
C9 C7 C2 109.4(6) . .
C8 C7 C2 110.4(6) . .
C10 C7 C2 113.2(5) . .
C12 C11 C6 110.9(6) . .
C12 C11 C13 106.8(6) . .
C6 C11 C13 112.7(6) . .
C12 C11 C14 111.4(6) . .
C6 C11 C14 109.0(6) . .
C13 C11 C14 106.0(6) . .
O2 C15 C16 120.8(6) . .
O2 C15 C20 119.0(6) . .
C16 C15 C20 120.2(6) . .
C17 C16 C15 118.4(7) . .
C17 C16 C21 118.4(7) . .
C15 C16 C21 123.1(6) . .
C18 C17 C16 121.2(8) . .
C19 C18 C17 120.3(7) . .
C18 C19 C20 123.1(7) . .
C19 C20 C15 116.6(7) . .
C19 C20 C25 120.3(6) . .
C15 C20 C25 123.1(6) . .
C23 C21 C16 112.1(7) . .
C23 C21 C22 105.8(6) . .
C16 C21 C22 112.6(6) . .
C23 C21 C24 110.7(7) . .
C16 C21 C24 109.1(6) . .
C22 C21 C24 106.4(7) . .
C27 C25 C20 110.6(5) . .
C27 C25 C28 111.1(6) . .
C20 C25 C28 109.8(6) . .
C27 C25 C26 106.2(6) . .
C20 C25 C26 112.4(6) . .
C28 C25 C26 106.7(5) . .
O3 C29 C30 105.3(5) . .
C31 C30 C29 104.7(6) . .
C32 C31 C30 102.7(5) . .
O3 C32 C31 104.4(5) . .
O4 C33 C34 105.3(6) . .
C35 C34 C33 105.8(6) . .
C34 C35 C36 104.0(6) . .
O4 C36 C35 104.4(6) . .
C38 C37 C42 120.0 . .
C38 C37 C43 105.9(14) . .
C42 C37 C43 134.1(14) . .
C37 C38 C39 120.0 . .
C40 C39 C38 120.0 . .
C39 C40 C41 120.0 . .
C40 C41 C42 120.0 . .
C41 C42 C37 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O1 2.154(4) .
Dy1 O2 2.156(4) .
Dy1 N1 2.336(5) .
Dy1 N1 2.336(5) 3_565
Dy1 O3 2.417(4) .
Dy1 O4 2.491(4) .
O1 C1 1.349(7) .
O2 C15 1.355(7) .
O3 C29 1.468(7) .
O3 C32 1.474(7) .
O4 C36 1.448(8) .
O4 C33 1.459(8) .
N1 N1 1.256(9) 3_565
N1 Dy1 2.336(5) 3_565
C1 C2 1.416(9) .
C1 C6 1.434(9) .
C2 C3 1.408(9) .
C2 C7 1.540(9) .
C3 C4 1.380(11) .
C4 C5 1.372(12) .
C5 C6 1.398(9) .
C6 C11 1.532(10) .
C7 C9 1.519(10) .
C7 C8 1.530(9) .
C7 C10 1.537(9) .
C11 C12 1.529(10) .
C11 C13 1.536(9) .
C11 C14 1.545(9) .
C15 C16 1.420(10) .
C15 C20 1.439(9) .
C16 C17 1.407(9) .
C16 C21 1.531(10) .
C17 C18 1.374(11) .
C18 C19 1.350(12) .
C19 C20 1.409(10) .
C20 C25 1.535(10) .
C21 C23 1.527(11) .
C21 C22 1.532(10) .
C21 C24 1.550(10) .
C25 C27 1.517(10) .
C25 C28 1.536(9) .
C25 C26 1.550(9) .
C29 C30 1.537(9) .
C30 C31 1.497(10) .
C31 C32 1.495(8) .
C33 C34 1.531(9) .
C34 C35 1.511(11) .
C35 C36 1.535(10) .
C37 C38 1.3900 .
C37 C42 1.3900 .
C37 C43 1.44(2) .
C38 C39 1.3900 .
C39 C40 1.3900 .
C40 C41 1.3900 .
C41 C42 1.3900 .
