#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/26/1512655.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_1512655
loop_
_publ_author_name
'Anastasia V. Safronova'
'Leonid N. Bochkarev'
'Irina P. Malysheva'
'Evgenii V. Baranov'
_publ_section_title
;
 Facile synthesis of rare-earth pyrazolonates by the reaction of
 rare-earth metals with 1-phenyl-3-methyl-4-isobutyryl-5-pyrazolone.
 Crystal structures of [Ln(PMIP)3]2 (Ln = Y, Gd, Tb, Er, Tm)
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              454
_journal_page_last               458
_journal_paper_doi               10.1016/j.ica.2012.03.032
_journal_volume                  392
_journal_year                    2012
_chemical_formula_sum            'C84 H90 Er2 N12 O12'
_chemical_formula_weight         1794.20
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 92.607(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.4993(11)
_cell_length_b                   12.6666(11)
_cell_length_c                   23.5158(19)
_cell_measurement_reflns_used    900
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      2
_cell_volume                     4016.8(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.1440
_diffrn_reflns_av_sigmaI/netI    0.1265
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            33827
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.34
_exptl_absorpt_coefficient_mu    2.143
_exptl_absorpt_correction_T_max  0.8305
_exptl_absorpt_correction_T_min  0.5125
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.483
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1820
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.254
_refine_diff_density_min         -1.134
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     493
_refine_ls_number_reflns         7873
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      0.994
_refine_ls_R_factor_all          0.1185
_refine_ls_R_factor_gt           0.0554
_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)+(0.0230P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0775
_refine_ls_wR_factor_ref         0.0872
_reflns_number_gt                4714
_reflns_number_total             7873
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2012-392-454-458-4.cif
_cod_data_source_block           eroom
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               1512655
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
Er1 Er 0.437447(16) -0.120304(18) 0.033323(9) 0.02152(5) Uani 1 1 d .
O1 O 0.2915(2) -0.1771(2) -0.00391(12) 0.0272(9) Uani 1 1 d .
O2 O 0.3614(2) -0.1866(2) 0.11011(12) 0.0278(9) Uani 1 1 d .
O3 O 0.4865(2) -0.2152(2) -0.04028(12) 0.0252(9) Uani 1 1 d .
O4 O 0.5517(2) -0.2324(2) 0.07404(12) 0.0261(9) Uani 1 1 d .
O5 O 0.4277(2) 0.0068(2) -0.03964(12) 0.0213(8) Uani 1 1 d .
O6 O 0.3441(2) 0.0220(2) 0.06490(12) 0.0290(9) Uani 1 1 d .
N1 N 0.1377(3) -0.2626(3) -0.00977(16) 0.0265(11) Uani 1 1 d .
N2 N 0.0757(3) -0.3183(3) 0.02541(16) 0.0308(12) Uani 1 1 d .
N3 N 0.5391(3) -0.3653(3) -0.08784(15) 0.0314(11) Uani 1 1 d .
N4 N 0.5951(3) -0.4543(3) -0.07630(17) 0.0385(13) Uani 1 1 d .
N5 N 0.3022(3) 0.0413(3) -0.10973(15) 0.0205(10) Uani 1 1 d .
N6 N 0.2042(3) 0.0767(3) -0.11316(16) 0.0277(11) Uani 1 1 d .
C1 C 0.2220(3) -0.2244(3) 0.01920(19) 0.0228(12) Uani 1 1 d .
C2 C 0.2085(3) -0.2514(4) 0.07743(19) 0.0271(13) Uani 1 1 d .
C3 C 0.2798(3) -0.2252(4) 0.12094(19) 0.0260(13) Uani 1 1 d .
C4 C 0.2611(3) -0.2492(2) 0.18341(17) 0.0346(15) Uani 1 1 d D
H4B H 0.1881 -0.2520 0.1886 0.041 Uiso 1 1 calc R
C5 C 0.3072(4) -0.3576(3) 0.1981(2) 0.0537(18) Uani 1 1 d D
H5A H 0.2887 -0.3789 0.2363 0.080 Uiso 1 1 calc R
H5B H 0.3795 -0.3529 0.1972 0.080 Uiso 1 1 calc R
H5C H 0.2826 -0.4100 0.1702 0.080 Uiso 1 1 calc R
C6 C 0.3075(4) -0.1631(3) 0.22226(17) 0.0433(17) Uani 1 1 d D
H6B H 0.2767 -0.0949 0.2128 0.065 Uiso 1 1 calc R
H6C H 0.3789 -0.1590 0.2166 0.065 Uiso 1 1 calc R
H6D H 0.2965 -0.1804 0.2621 0.065 Uiso 1 1 calc R
C7 C 0.1169(3) -0.3085(4) 0.0772(2) 0.0247(13) Uani 1 1 d .
C8 C 0.0640(3) -0.3611(4) 0.12384(19) 0.0391(15) Uani 1 1 d .
H8A H 0.0064 -0.3995 0.1076 0.059 Uiso 1 1 calc R
H8B H 0.0419 -0.3076 0.1506 0.059 Uiso 1 1 calc R
H8C H 0.1091 -0.4106 0.1439 0.059 Uiso 1 1 calc R
C9 C 0.1092(3) -0.2539(4) -0.0686(2) 0.0278(13) Uani 1 1 d .
C10 C 0.1504(4) -0.1798(4) -0.1026(2) 0.0351(15) Uani 1 1 d .
H10A H 0.2015 -0.1352 -0.0873 0.042 Uiso 1 1 calc R
C11 C 0.1183(4) -0.1688(4) -0.1595(2) 0.0378(15) Uani 1 1 d .
H11A H 0.1483 -0.1183 -0.1831 0.045 Uiso 1 1 calc R
C12 C 0.0419(4) -0.2325(4) -0.1814(2) 0.0396(16) Uani 1 1 d .
H12A H 0.0181 -0.2250 -0.2198 0.048 Uiso 1 1 calc R
C13 C 0.0009(4) -0.3073(4) -0.1464(2) 0.0433(17) Uani 1 1 d .
H13A H -0.0504 -0.3520 -0.1614 0.052 Uiso 1 1 calc R
C14 C 0.0327(4) -0.3181(4) -0.0909(2) 0.0350(15) Uani 1 1 d .
H14A H 0.0029 -0.3690 -0.0674 0.042 Uiso 1 1 calc R
C15 C 0.5321(3) -0.3031(4) -0.03976(19) 0.0252(13) Uani 1 1 d .
C16 C 0.5847(3) -0.3589(3) 0.00456(18) 0.0236(13) Uani 1 1 d .
C17 C 0.5912(3) -0.3196(4) 0.06177(19) 0.0229(13) Uani 1 1 d .
C18 C 0.6464(2) -0.3811(4) 0.10778(14) 0.0326(11) Uani 1 1 d DU
H18A H 0.6402 -0.4580 0.0985 0.039 Uiso 1 1 calc R
C19 C 0.7569(3) -0.3513(4) 0.1083(2) 0.0580(7) Uani 1 1 d DU
H19A H 0.7807 -0.3571 0.0696 0.087 Uiso 1 1 calc R
H19B H 0.7950 -0.3992 0.1337 0.087 Uiso 1 1 calc R
H19C H 0.7655 -0.2785 0.1218 0.087 Uiso 1 1 calc R
C20 C 0.6030(4) -0.3623(5) 0.16634(16) 0.0560(7) Uani 1 1 d DU
H20A H 0.5318 -0.3774 0.1641 0.084 Uiso 1 1 calc R
H20B H 0.6138 -0.2886 0.1777 0.084 Uiso 1 1 calc R
H20C H 0.6360 -0.4090 0.1946 0.084 Uiso 1 1 calc R
C21 C 0.6208(4) -0.4518(4) -0.0220(2) 0.0326(14) Uani 1 1 d .
C22 C 0.6815(4) -0.5410(4) 0.0017(2) 0.0445(17) Uani 1 1 d .
H22A H 0.6925 -0.5925 -0.0284 0.067 Uiso 1 1 calc R
H22B H 0.6465 -0.5751 0.0324 0.067 Uiso 1 1 calc R
H22C H 0.7455 -0.5142 0.0168 0.067 Uiso 1 1 calc R
C23 C 0.4992(4) -0.3465(3) -0.1441(2) 0.0283(14) Uani 1 1 d .
C24 C 0.5550(3) -0.3810(4) -0.18858(19) 0.0363(13) Uani 1 1 d .
H24A H 0.6175 -0.4142 -0.1814 0.044 Uiso 1 1 calc R
C25 C 0.5173(4) -0.3658(4) -0.24395(19) 0.0413(15) Uani 1 1 d .
H25A H 0.5549 -0.3887 -0.2748 0.050 Uiso 1 1 calc R
C26 C 0.4274(4) -0.3190(4) -0.2550(2) 0.0454(17) Uani 1 1 d .
H26A H 0.4023 -0.3098 -0.2931 0.054 Uiso 1 1 calc R
C27 C 0.3731(4) -0.2847(4) -0.2092(2) 0.0432(17) Uani 1 1 d .
H27A H 0.3109 -0.2509 -0.2163 0.052 Uiso 1 1 calc R
C28 C 0.4090(4) -0.2994(4) -0.1532(2) 0.0348(15) Uani 1 1 d .
H28A H 0.3715 -0.2773 -0.1221 0.042 Uiso 1 1 calc R
C29 C 0.3375(3) 0.0356(3) -0.05511(18) 0.0196(12) Uani 1 1 d .
C30 C 0.2594(3) 0.0680(3) -0.02067(18) 0.0225(12) Uani 1 1 d .
C31 C 0.2723(4) 0.0684(4) 0.04043(19) 0.0284(14) Uani 1 1 d .
C32 C 0.1988(3) 0.1239(3) 0.07638(14) 0.0316(11) Uani 1 1 d DU
H32A H 0.1466 0.1581 0.0511 0.038 Uiso 1 1 calc R
C33 C 0.2528(4) 0.2085(4) 0.1126(2) 0.0580(7) Uani 1 1 d DU
H33A H 0.2731 0.2664 0.0881 0.087 Uiso 1 1 calc R
H33B H 0.3116 0.1775 0.1321 0.087 Uiso 1 1 calc R
H33C H 0.2083 0.2358 0.1409 0.087 Uiso 1 1 calc R
C34 C 0.1505(4) 0.0442(4) 0.1152(2) 0.0560(7) Uani 1 1 d DU
H34A H 0.1229 -0.0144 0.0923 0.084 Uiso 1 1 calc R
H34B H 0.0972 0.0788 0.1352 0.084 Uiso 1 1 calc R
H34C H 0.2003 0.0171 0.1431 0.084 Uiso 1 1 calc R
C35 C 0.1807(3) 0.0932(3) -0.0598(2) 0.0293(14) Uani 1 1 d .
C36 C 0.0765(3) 0.1301(4) -0.05021(19) 0.0400(15) Uani 1 1 d .
H36A H 0.0366 0.1255 -0.0860 0.060 Uiso 1 1 calc R
H36B H 0.0782 0.2035 -0.0370 0.060 Uiso 1 1 calc R
H36C H 0.0472 0.0854 -0.0214 0.060 Uiso 1 1 calc R
C37 C 0.3539(4) 0.0227(4) -0.16112(19) 0.0276(14) Uani 1 1 d .
C38 C 0.4402(4) -0.0334(4) -0.1612(2) 0.0311(14) Uani 1 1 d .
H38A H 0.4686 -0.0616 -0.1267 0.037 Uiso 1 1 calc R
C39 C 0.4861(4) -0.0486(4) -0.2120(2) 0.0402(16) Uani 1 1 d .
H39A H 0.5477 -0.0847 -0.2126 0.048 Uiso 1 1 calc R
C40 C 0.4412(4) -0.0107(4) -0.2619(2) 0.0455(17) Uani 1 1 d .
H40A H 0.4724 -0.0216 -0.2967 0.055 Uiso 1 1 calc R
C41 C 0.3532(4) 0.0420(4) -0.2623(2) 0.0389(16) Uani 1 1 d .
H41A H 0.3228 0.0662 -0.2971 0.047 Uiso 1 1 calc R
C42 C 0.3090(4) 0.0597(4) -0.2115(2) 0.0320(14) Uani 1 1 d .
H42A H 0.2481 0.0972 -0.2110 0.038 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'
Er Er -0.2586 4.9576 '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
O3 Er1 O1 79.07(11) . .
O3 Er1 O4 76.75(10) . .
O1 Er1 O4 122.11(11) . .
O3 Er1 O2 125.18(11) . .
O1 Er1 O2 76.77(10) . .
O4 Er1 O2 75.97(11) . .
O3 Er1 O5 97.11(10) . 3_655
O1 Er1 O5 154.00(10) . 3_655
O4 Er1 O5 81.08(10) . 3_655
O2 Er1 O5 123.97(10) . 3_655
O3 Er1 O6 147.57(10) . .
O1 Er1 O6 83.95(11) . .
O4 Er1 O6 135.39(10) . .
O2 Er1 O6 76.35(11) . .
O5 Er1 O6 86.25(10) 3_655 .
O3 Er1 O5 79.16(10) . .
O1 Er1 O5 85.16(10) . .
O4 Er1 O5 138.46(10) . .
O2 Er1 O5 144.93(10) . .
O5 Er1 O5 68.90(11) 3_655 .
O6 Er1 O5 72.00(10) . .
O3 Er1 Er1 87.69(8) . 3_655
O1 Er1 Er1 119.31(7) . 3_655
O4 Er1 Er1 111.33(8) . 3_655
O2 Er1 Er1 146.73(8) . 3_655
O5 Er1 Er1 34.73(7) 3_655 3_655
O6 Er1 Er1 76.82(8) . 3_655
O5 Er1 Er1 34.17(7) . 3_655
C1 O1 Er1 130.2(3) . .
C3 O2 Er1 138.1(3) . .
C15 O3 Er1 128.6(3) . .
C17 O4 Er1 137.2(3) . .
C29 O5 Er1 124.3(3) . 3_655
C29 O5 Er1 114.5(3) . .
Er1 O5 Er1 111.10(11) 3_655 .
C31 O6 Er1 129.3(3) . .
C1 N1 N2 112.7(4) . .
C1 N1 C9 129.1(4) . .
N2 N1 C9 118.2(4) . .
C7 N2 N1 105.1(4) . .
N4 N3 C15 111.2(4) . .
N4 N3 C23 120.0(4) . .
C15 N3 C23 128.7(4) . .
C21 N4 N3 106.9(4) . .
C29 N5 N6 111.4(3) . .
C29 N5 C37 128.6(4) . .
N6 N5 C37 119.8(3) . .
C35 N6 N5 105.2(3) . .
O1 C1 N1 124.4(4) . .
O1 C1 C2 131.1(4) . .
N1 C1 C2 104.4(4) . .
C3 C2 C1 121.6(4) . .
C3 C2 C7 133.0(4) . .
C1 C2 C7 105.4(4) . .
O2 C3 C2 121.7(4) . .
O2 C3 C4 117.4(4) . .
C2 C3 C4 120.8(4) . .
C3 C4 C6 110.4(3) . .
C3 C4 C5 108.0(3) . .
C6 C4 C5 110.5(4) . .
N2 C7 C2 112.2(4) . .
N2 C7 C8 116.1(4) . .
C2 C7 C8 131.6(4) . .
C10 C9 C14 119.6(5) . .
C10 C9 N1 121.5(4) . .
C14 C9 N1 118.8(4) . .
C9 C10 C11 120.8(5) . .
C12 C11 C10 119.4(5) . .
C13 C12 C11 119.1(5) . .
C14 C13 C12 121.4(5) . .
C13 C14 C9 119.7(5) . .
O3 C15 N3 122.8(4) . .
O3 C15 C16 131.8(4) . .
N3 C15 C16 105.4(4) . .
C15 C16 C21 104.9(4) . .
C15 C16 C17 121.5(4) . .
C21 C16 C17 133.5(4) . .
O4 C17 C16 120.6(4) . .
O4 C17 C18 119.2(4) . .
C16 C17 C18 120.2(4) . .
C17 C18 C19 109.1(4) . .
C17 C18 C20 111.5(4) . .
C19 C18 C20 111.3(4) . .
N4 C21 C16 111.5(4) . .
N4 C21 C22 117.6(4) . .
C16 C21 C22 130.9(4) . .
C28 C23 C24 122.2(4) . .
C28 C23 N3 121.0(4) . .
C24 C23 N3 116.8(4) . .
C23 C24 C25 118.3(5) . .
C26 C25 C24 121.6(5) . .
C25 C26 C27 118.7(5) . .
C28 C27 C26 120.9(5) . .
C23 C28 C27 118.4(5) . .
O5 C29 N5 124.3(4) . .
O5 C29 C30 129.0(4) . .
N5 C29 C30 106.7(4) . .
C35 C30 C29 104.5(4) . .
C35 C30 C31 134.8(4) . .
C29 C30 C31 120.7(4) . .
O6 C31 C30 121.0(4) . .
O6 C31 C32 118.5(4) . .
C30 C31 C32 120.5(4) . .
C31 C32 C34 109.7(4) . .
C31 C32 C33 109.3(4) . .
C34 C32 C33 109.5(3) . .
N6 C35 C30 112.2(4) . .
N6 C35 C36 117.1(4) . .
C30 C35 C36 130.7(4) . .
C38 C37 C42 121.0(5) . .
C38 C37 N5 122.1(4) . .
C42 C37 N5 116.8(4) . .
C37 C38 C39 119.3(5) . .
C40 C39 C38 119.2(5) . .
C41 C40 C39 121.8(5) . .
C40 C41 C42 119.0(5) . .
C41 C42 C37 119.7(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Er1 O3 2.232(3) .
Er1 O1 2.238(3) .
Er1 O4 2.276(3) .
Er1 O2 2.278(3) .
Er1 O5 2.319(3) 3_655
Er1 O6 2.340(3) .
Er1 O5 2.352(3) .
Er1 Er1 3.8519(5) 3_655
O1 C1 1.258(5) .
O2 C3 1.241(5) .
O3 C15 1.272(5) .
O4 C17 1.265(5) .
O5 C29 1.307(5) .
O5 Er1 2.319(3) 3_655
O6 C31 1.250(5) .
N1 C1 1.386(6) .
N1 N2 1.395(5) .
N1 C9 1.424(6) .
N2 C7 1.321(6) .
N3 N4 1.377(5) .
N3 C15 1.385(6) .
N3 C23 1.427(6) .
N4 C21 1.309(6) .
N5 C29 1.352(5) .
N5 N6 1.395(5) .
N5 C37 1.442(6) .
N6 C35 1.324(6) .
C1 C2 1.431(6) .
C2 C3 1.412(6) .
C2 C7 1.432(6) .
C3 C4 1.532(6) .
C4 C6 1.538(4) .
C4 C5 1.540(4) .
C7 C8 1.492(6) .
C9 C10 1.367(7) .
C9 C14 1.397(6) .
C10 C11 1.395(6) .
C11 C12 1.389(7) .
C12 C13 1.387(7) .
C13 C14 1.362(7) .
C15 C16 1.422(6) .
C16 C21 1.428(6) .
C16 C17 1.433(6) .
C17 C18 1.504(6) .
C18 C19 1.538(4) .
C18 C20 1.539(4) .
C21 C22 1.489(7) .
C23 C28 1.364(7) .
C23 C24 1.387(6) .
C24 C25 1.390(6) .
C25 C26 1.365(7) .
C26 C27 1.400(7) .
C27 C28 1.395(7) .
C29 C30 1.419(6) .
C30 C35 1.410(6) .
C30 C31 1.439(6) .
C31 C32 1.506(6) .
C32 C34 1.528(4) .
C32 C33 1.533(4) .
C35 C36 1.509(6) .
C37 C38 1.365(7) .
C37 C42 1.388(6) .
C38 C39 1.385(7) .
C39 C40 1.382(7) .
C40 C41 1.361(7) .
C41 C42 1.378(7) .
