#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/26/1512653.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_1512653
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 Gd2 N12 O12'
_chemical_formula_weight         1774.18
_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                 93.724(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.6290(11)
_cell_length_b                   12.6321(10)
_cell_length_c                   23.640(2)
_cell_measurement_reflns_used    900
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      2
_cell_volume                     4061.3(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, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0445
_diffrn_reflns_av_sigmaI/netI    0.0460
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            23948
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    1.687
_exptl_absorpt_correction_T_max  0.7079
_exptl_absorpt_correction_T_min  0.5898
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008a)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1804
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.22
_refine_diff_density_max         4.278
_refine_diff_density_min         -3.245
_refine_diff_density_rms         0.165
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         7962
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0562
_refine_ls_R_factor_gt           0.0462
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0872P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1188
_refine_ls_wR_factor_ref         0.1263
_reflns_number_gt                6664
_reflns_number_total             7962
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2012-392-454-458-2.cif
_cod_data_source_block           gdpmipm
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               1512653
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
Gd1 Gd 0.435703(9) -0.120142(10) 0.037486(6) 0.01794(5) Uani 1 1 d .
O1 O 0.28562(14) -0.17784(16) -0.00023(9) 0.0223(5) Uani 1 1 d .
O2 O 0.35695(15) -0.18568(17) 0.11468(10) 0.0273(5) Uani 1 1 d .
O3 O 0.48145(15) -0.22017(16) -0.03712(9) 0.0248(5) Uani 1 1 d U
O4 O 0.55161(14) -0.23810(15) 0.07769(9) 0.0227(5) Uani 1 1 d .
O5 O 0.42353(14) 0.00708(16) -0.03837(9) 0.0205(5) Uani 1 1 d .
O6 O 0.33987(15) 0.02741(17) 0.06591(9) 0.0258(5) Uani 1 1 d .
N1 N 0.13464(17) -0.26538(19) -0.00759(12) 0.0232(6) Uani 1 1 d .
N2 N 0.07397(18) -0.3213(2) 0.02751(12) 0.0272(6) Uani 1 1 d .
N3 N 0.5376(2) -0.36615(19) -0.08496(13) 0.0250(6) Uani 1 1 d .
N4 N 0.5974(2) -0.4554(2) -0.07444(13) 0.0317(7) Uani 1 1 d .
N5 N 0.30017(17) 0.04049(19) -0.10926(11) 0.0214(6) Uani 1 1 d .
N6 N 0.20272(18) 0.0747(2) -0.11437(12) 0.0256(6) Uani 1 1 d .
C1 C 0.2161(2) -0.2268(2) 0.02288(14) 0.0219(7) Uani 1 1 d .
C2 C 0.2046(2) -0.2535(2) 0.08025(14) 0.0226(7) Uani 1 1 d .
C3 C 0.2758(2) -0.2276(2) 0.12506(14) 0.0234(7) Uani 1 1 d .
C4 C 0.2593(2) -0.2519(3) 0.18684(14) 0.0303(8) Uani 1 1 d .
H4B H 0.1870 -0.2575 0.1912 0.036 Uiso 1 1 calc R
C5 C 0.3073(3) -0.3599(3) 0.20149(19) 0.0428(10) Uani 1 1 d .
H5A H 0.2945 -0.3793 0.2405 0.064 Uiso 1 1 calc R
H5B H 0.3784 -0.3551 0.1979 0.064 Uiso 1 1 calc R
H5C H 0.2795 -0.4139 0.1754 0.064 Uiso 1 1 calc R
C6 C 0.3009(3) -0.1647(3) 0.22527(17) 0.0413(10) Uani 1 1 d .
H6B H 0.2713 -0.0969 0.2134 0.062 Uiso 1 1 calc R
H6C H 0.3723 -0.1610 0.2228 0.062 Uiso 1 1 calc R
H6D H 0.2860 -0.1798 0.2645 0.062 Uiso 1 1 calc R
C7 C 0.1144(2) -0.3132(2) 0.07907(15) 0.0267(8) Uani 1 1 d .
C8 C 0.0629(3) -0.3660(3) 0.12590(18) 0.0364(9) Uani 1 1 d .
H8A H 0.0078 -0.4083 0.1095 0.055 Uiso 1 1 calc R
H8B H 0.0380 -0.3119 0.1510 0.055 Uiso 1 1 calc R
H8C H 0.1092 -0.4121 0.1476 0.055 Uiso 1 1 calc R
C9 C 0.1056(2) -0.2570(2) -0.06622(14) 0.0260(7) Uani 1 1 d .
C10 C 0.1470(2) -0.1823(3) -0.09994(15) 0.0306(8) Uani 1 1 d .
H10A H 0.1974 -0.1372 -0.0842 0.037 Uiso 1 1 calc R
C11 C 0.1152(2) -0.1726(3) -0.15689(16) 0.0352(9) Uani 1 1 d .
H11A H 0.1438 -0.1208 -0.1799 0.042 Uiso 1 1 calc R
C12 C 0.0414(2) -0.2390(3) -0.18018(16) 0.0350(9) Uani 1 1 d .
H12A H 0.0201 -0.2337 -0.2191 0.042 Uiso 1 1 calc R
C13 C 0.0001(2) -0.3123(3) -0.14582(17) 0.0368(9) Uani 1 1 d .
H13A H -0.0513 -0.3565 -0.1613 0.044 Uiso 1 1 calc R
C14 C 0.0314(2) -0.3231(3) -0.08949(16) 0.0322(8) Uani 1 1 d .
H14A H 0.0027 -0.3751 -0.0667 0.039 Uiso 1 1 calc R
C15 C 0.5304(2) -0.3075(2) -0.03767(14) 0.0231(6) Uani 1 1 d U
C16 C 0.5846(2) -0.3612(2) 0.00772(15) 0.0233(7) Uani 1 1 d .
C17 C 0.5914(2) -0.3241(2) 0.06391(14) 0.0212(7) Uani 1 1 d .
C18 C 0.6489(2) -0.3850(2) 0.11103(16) 0.0260(8) Uani 1 1 d .
H18A H 0.6462 -0.4619 0.1011 0.031 Uiso 1 1 calc R
C19 C 0.7575(3) -0.3499(3) 0.11344(19) 0.0432(10) Uani 1 1 d .
H19A H 0.7839 -0.3609 0.0763 0.065 Uiso 1 1 calc R
H19B H 0.7955 -0.3919 0.1420 0.065 Uiso 1 1 calc R
H19C H 0.7621 -0.2748 0.1235 0.065 Uiso 1 1 calc R
C20 C 0.6043(3) -0.3712(3) 0.16784(18) 0.0389(10) Uani 1 1 d .
H20A H 0.5362 -0.3964 0.1650 0.058 Uiso 1 1 calc R
H20B H 0.6056 -0.2961 0.1783 0.058 Uiso 1 1 calc R
H20C H 0.6424 -0.4121 0.1968 0.058 Uiso 1 1 calc R
C21 C 0.6236(2) -0.4519(2) -0.02016(15) 0.0304(8) Uani 1 1 d .
C22 C 0.6883(3) -0.5405(3) 0.00392(17) 0.0426(10) Uani 1 1 d .
H22A H 0.7055 -0.5878 -0.0268 0.064 Uiso 1 1 calc R
H22B H 0.6529 -0.5806 0.0317 0.064 Uiso 1 1 calc R
H22C H 0.7484 -0.5106 0.0225 0.064 Uiso 1 1 calc R
C23 C 0.4992(3) -0.3476(3) -0.14112(15) 0.0282(8) Uani 1 1 d .
C24 C 0.5545(3) -0.3782(2) -0.18638(17) 0.0317(9) Uani 1 1 d .
H24A H 0.6180 -0.4084 -0.1792 0.038 Uiso 1 1 calc R
C25 C 0.5162(3) -0.3641(3) -0.24181(17) 0.0358(9) Uani 1 1 d .
H25A H 0.5526 -0.3873 -0.2724 0.043 Uiso 1 1 calc R
C26 C 0.4253(3) -0.3167(3) -0.25272(16) 0.0393(9) Uani 1 1 d .
H26A H 0.4000 -0.3050 -0.2906 0.047 Uiso 1 1 calc R
C27 C 0.3716(3) -0.2863(3) -0.20723(16) 0.0373(9) Uani 1 1 d .
H27A H 0.3089 -0.2545 -0.2144 0.045 Uiso 1 1 calc R
C28 C 0.4078(2) -0.3016(3) -0.15171(15) 0.0294(8) Uani 1 1 d .
H28A H 0.3701 -0.2807 -0.1212 0.035 Uiso 1 1 calc R
C29 C 0.3338(2) 0.0358(2) -0.05466(13) 0.0205(7) Uani 1 1 d .
C30 C 0.2568(2) 0.0687(2) -0.02101(14) 0.0230(7) Uani 1 1 d .
C31 C 0.2684(2) 0.0720(2) 0.03933(14) 0.0241(7) Uani 1 1 d .
C32 C 0.1956(3) 0.1299(3) 0.07413(17) 0.0357(7) Uani 1 1 d U
H32A H 0.1400 0.1576 0.0487 0.043 Uiso 1 1 calc R
C33 C 0.2472(3) 0.2199(4) 0.1047(2) 0.0566(8) Uani 1 1 d U
H33A H 0.2720 0.2695 0.0771 0.085 Uiso 1 1 calc R
H33B H 0.3024 0.1925 0.1291 0.085 Uiso 1 1 calc R
H33C H 0.2011 0.2567 0.1281 0.085 Uiso 1 1 calc R
C34 C 0.1566(3) 0.0550(4) 0.1173(2) 0.0559(7) Uani 1 1 d U
H34A H 0.1253 -0.0058 0.0977 0.084 Uiso 1 1 calc R
H34B H 0.1083 0.0919 0.1390 0.084 Uiso 1 1 calc R
H34C H 0.2111 0.0303 0.1431 0.084 Uiso 1 1 calc R
C35 C 0.1780(2) 0.0909(2) -0.06231(15) 0.0243(7) Uani 1 1 d .
C36 C 0.0747(2) 0.1272(3) -0.0542(2) 0.0371(9) Uani 1 1 d .
H36A H 0.0377 0.1311 -0.0911 0.056 Uiso 1 1 calc R
H36B H 0.0764 0.1972 -0.0363 0.056 Uiso 1 1 calc R
H36C H 0.0427 0.0767 -0.0298 0.056 Uiso 1 1 calc R
C37 C 0.3510(2) 0.0214(2) -0.15937(14) 0.0227(7) Uani 1 1 d .
C38 C 0.4390(2) -0.0359(3) -0.15748(15) 0.0282(8) Uani 1 1 d .
H38A H 0.4658 -0.0650 -0.1228 0.034 Uiso 1 1 calc R
C39 C 0.4869(3) -0.0495(3) -0.20752(16) 0.0368(9) Uani 1 1 d .
H39A H 0.5481 -0.0856 -0.2065 0.044 Uiso 1 1 calc R
C40 C 0.4461(3) -0.0111(3) -0.25851(16) 0.0373(9) Uani 1 1 d .
H40A H 0.4789 -0.0216 -0.2923 0.045 Uiso 1 1 calc R
C41 C 0.3568(3) 0.0430(3) -0.26030(16) 0.0355(9) Uani 1 1 d .
H41A H 0.3284 0.0689 -0.2954 0.043 Uiso 1 1 calc R
C42 C 0.3096(2) 0.0591(3) -0.21090(15) 0.0285(8) Uani 1 1 d .
H42A H 0.2487 0.0960 -0.2122 0.034 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'
Gd Gd -0.1653 3.9035 '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 Gd1 O1 78.81(7) . .
O3 Gd1 O2 124.76(8) . .
O1 Gd1 O2 75.35(8) . .
O3 Gd1 O4 75.51(8) . .
O1 Gd1 O4 121.26(7) . .
O2 Gd1 O4 77.74(7) . .
O3 Gd1 O5 94.47(7) . 3_655
O1 Gd1 O5 152.51(7) . 3_655
O2 Gd1 O5 128.03(7) . 3_655
O4 Gd1 O5 81.72(7) . 3_655
O3 Gd1 O6 145.69(8) . .
O1 Gd1 O6 82.41(7) . .
O2 Gd1 O6 76.67(7) . .
O4 Gd1 O6 138.64(7) . .
O5 Gd1 O6 89.12(7) 3_655 .
O3 Gd1 O5 78.66(7) . .
O1 Gd1 O5 84.61(7) . .
O2 Gd1 O5 143.97(7) . .
O4 Gd1 O5 138.05(7) . .
O5 Gd1 O5 67.91(8) 3_655 .
O6 Gd1 O5 71.16(7) . .
O3 Gd1 Gd1 85.87(5) . 3_655
O1 Gd1 Gd1 118.44(5) . 3_655
O2 Gd1 Gd1 149.22(6) . 3_655
O4 Gd1 Gd1 111.29(5) . 3_655
O5 Gd1 Gd1 34.07(5) 3_655 3_655
O6 Gd1 Gd1 78.20(5) . 3_655
O5 Gd1 Gd1 33.83(5) . 3_655
C1 O1 Gd1 130.7(2) . .
C3 O2 Gd1 139.0(2) . .
C15 O3 Gd1 130.3(2) . .
C17 O4 Gd1 137.2(2) . .
C29 O5 Gd1 124.81(17) . 3_655
C29 O5 Gd1 114.98(17) . .
Gd1 O5 Gd1 112.09(8) 3_655 .
C31 O6 Gd1 128.8(2) . .
C1 N1 N2 110.9(3) . .
C1 N1 C9 130.6(3) . .
N2 N1 C9 118.6(2) . .
C7 N2 N1 106.4(2) . .
C15 N3 N4 111.5(3) . .
C15 N3 C23 130.1(3) . .
N4 N3 C23 118.3(3) . .
C21 N4 N3 105.4(3) . .
C29 N5 N6 111.2(2) . .
C29 N5 C37 129.4(2) . .
N6 N5 C37 119.3(2) . .
C35 N6 N5 105.6(2) . .
O1 C1 N1 122.8(3) . .
O1 C1 C2 130.8(3) . .
N1 C1 C2 106.4(2) . .
C1 C2 C3 123.0(3) . .
C1 C2 C7 104.7(3) . .
C3 C2 C7 132.2(3) . .
O2 C3 C2 120.9(3) . .
O2 C3 C4 117.2(3) . .
C2 C3 C4 122.0(3) . .
C6 C4 C3 110.8(3) . .
C6 C4 C5 111.8(3) . .
C3 C4 C5 107.9(3) . .
N2 C7 C2 111.5(3) . .
N2 C7 C8 117.5(3) . .
C2 C7 C8 131.0(3) . .
C10 C9 C14 119.6(3) . .
C10 C9 N1 121.1(3) . .
C14 C9 N1 119.3(3) . .
C9 C10 C11 120.4(3) . .
C10 C11 C12 119.9(3) . .
C13 C12 C11 118.9(4) . .
C12 C13 C14 121.6(3) . .
C13 C14 C9 119.5(3) . .
O3 C15 N3 122.9(3) . .
O3 C15 C16 129.8(3) . .
N3 C15 C16 107.4(3) . .
C17 C16 C15 123.2(3) . .
C17 C16 C21 133.9(3) . .
C15 C16 C21 102.8(3) . .
O4 C17 C16 121.8(3) . .
O4 C17 C18 116.9(3) . .
C16 C17 C18 121.3(3) . .
C20 C18 C17 111.7(3) . .
C20 C18 C19 111.9(3) . .
C17 C18 C19 109.2(3) . .
N4 C21 C16 112.9(3) . .
N4 C21 C22 117.3(3) . .
C16 C21 C22 129.8(3) . .
C28 C23 C24 120.0(3) . .
C28 C23 N3 120.9(3) . .
C24 C23 N3 119.0(3) . .
C25 C24 C23 119.7(3) . .
C26 C25 C24 120.5(4) . .
C25 C26 C27 118.9(4) . .
C28 C27 C26 121.4(3) . .
C23 C28 C27 119.4(3) . .
O5 C29 N5 123.3(3) . .
O5 C29 C30 128.8(3) . .
N5 C29 C30 107.9(3) . .
C29 C30 C31 122.1(3) . .
C29 C30 C35 103.0(3) . .
C31 C30 C35 134.9(3) . .
O6 C31 C30 121.3(3) . .
O6 C31 C32 117.2(3) . .
C30 C31 C32 121.5(3) . .
C33 C32 C34 108.9(4) . .
C33 C32 C31 109.0(3) . .
C34 C32 C31 109.5(3) . .
N6 C35 C30 112.4(3) . .
N6 C35 C36 117.8(3) . .
C30 C35 C36 129.8(3) . .
C42 C37 C38 120.2(3) . .
C42 C37 N5 118.4(3) . .
C38 C37 N5 121.4(3) . .
C39 C38 C37 118.9(3) . .
C40 C39 C38 120.8(3) . .
C39 C40 C41 120.0(3) . .
C42 C41 C40 119.9(3) . .
C41 C42 C37 120.2(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O3 2.289(2) .
Gd1 O1 2.2964(19) .
Gd1 O2 2.329(2) .
Gd1 O4 2.329(2) .
Gd1 O5 2.3908(19) 3_655
Gd1 O6 2.397(2) .
Gd1 O5 2.406(2) .
Gd1 Gd1 3.9786(3) 3_655
O1 C1 1.283(3) .
O2 C3 1.264(4) .
O3 C15 1.289(4) .
O4 C17 1.266(3) .
O5 C29 1.309(3) .
O5 Gd1 2.3908(19) 3_655
O6 C31 1.257(4) .
N1 C1 1.373(4) .
N1 N2 1.400(4) .
N1 C9 1.420(4) .
N2 C7 1.309(4) .
N3 C15 1.350(4) .
N3 N4 1.404(4) .
N3 C23 1.415(5) .
N4 C21 1.310(5) .
N5 C29 1.343(4) .
N5 N6 1.394(3) .
N5 C37 1.431(4) .
N6 C35 1.313(4) .
C1 C2 1.416(5) .
C2 C3 1.427(4) .
C2 C7 1.441(4) .
C3 C4 1.523(5) .
C4 C6 1.515(5) .
C4 C5 1.542(5) .
C7 C8 1.505(5) .
C9 C10 1.379(5) .
C9 C14 1.397(5) .
C10 C11 1.393(5) .
C11 C12 1.395(5) .
C12 C13 1.376(5) .
C13 C14 1.378(6) .
C15 C16 1.433(5) .
C16 C17 1.406(5) .
C16 C21 1.441(4) .
C17 C18 1.528(5) .
C18 C20 1.520(5) .
C18 C19 1.542(5) .
C21 C22 1.513(5) .
C23 C28 1.383(5) .
C23 C24 1.403(5) .
C24 C25 1.390(6) .
C25 C26 1.386(6) .
C26 C27 1.393(5) .
C27 C28 1.385(5) .
C29 C30 1.420(4) .
C30 C31 1.426(5) .
C30 C35 1.432(4) .
C31 C32 1.518(4) .
C32 C33 1.498(6) .
C32 C34 1.513(6) .
C35 C36 1.504(4) .
C37 C42 1.393(5) .
C37 C38 1.399(4) .
C38 C39 1.398(5) .
C39 C40 1.382(5) .
C40 C41 1.394(5) .
C41 C42 1.385(5) .
