#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:01:29 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180119 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/17/7101775.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_7101775
loop_
_publ_author_name
'Wang, Xin-Yi'
'Wang, Zhe-Ming'
'Gao, Song'
_publ_section_title
;
 A pillared layer MOF with anion-tunable magnetic properties and
 photochemical [2 + 2] cycloaddition.
;
_journal_issue                   11
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1127
_journal_page_last               1129
_journal_paper_doi               10.1039/b616516h
_journal_year                    2007
_chemical_formula_sum            'C39 H39 Cl Mn2 N6 O13'
_chemical_formula_weight         945.09
_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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 92.722(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.1273(1)
_cell_length_b                   15.3853(2)
_cell_length_c                   27.6549(3)
_cell_measurement_reflns_used    45392
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      3.395
_cell_volume                     4304.09(8)
_computing_cell_refinement       'HKL Scalepack (Otwinowski and Minor, 1997)'
_computing_data_collection       'KappaCCD (Nonius B. V., 1998)'
_computing_data_reduction
'HKL Denzo (Otwinowski & Minor, 1997) and maXus (Mackay et al., 1998)'
_computing_molecular_graphics    'Bruker SHELXTL V5.1 (Sheldrick, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0.76
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'NONIUS KappaCCD'
_diffrn_measurement_method       CCD
_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  0.0943
_diffrn_reflns_av_sigmaI/netI    0.1183
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            61050
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.43
_exptl_absorpt_coefficient_mu    0.718
_exptl_absorpt_correction_T_max  0.960
_exptl_absorpt_correction_T_min  0.871
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(Blessing, 1995, 1997)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.458
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       column
_exptl_crystal_F_000             1944
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.982
_refine_diff_density_min         -0.489
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.889
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     569
_refine_ls_number_reflns         9821
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      0.892
_refine_ls_R_factor_all          0.1292
_refine_ls_R_factor_gt           0.0474
_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)+(0.0660P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1134
_refine_ls_wR_factor_ref         0.1290
_reflns_number_gt                4561
_reflns_number_total             9821
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b616516h.txt
_cod_data_source_block           Mn2(CHOO)3(C12H10N2)3(H2O)3(ClO4)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Empirical' changed to 'empirical'
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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7101775
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
Cl Cl -0.17859(11) 0.24856(7) 0.51492(4) 0.0659(3) Uani 1 1 d .
Mn1 Mn 0.39829(4) 0.18929(3) 0.246939(15) 0.03340(15) Uani 1 1 d .
Mn2 Mn -0.03359(5) 0.01192(3) 0.249405(15) 0.03267(15) Uani 1 1 d .
O1 O 0.1672(2) -0.04378(15) 0.25281(8) 0.0468(6) Uani 1 1 d .
O2 O 0.2636(2) 0.08300(16) 0.24664(8) 0.0511(6) Uani 1 1 d .
O3 O 0.0807(2) 0.37437(15) 0.24486(7) 0.0429(6) Uani 1 1 d .
O4 O 0.2141(2) 0.26024(14) 0.24790(7) 0.0400(5) Uani 1 1 d .
O5 O 0.5866(3) 0.1318(2) 0.24701(9) 0.0760(9) Uani 1 1 d .
O6 O 0.7585(3) 0.04328(18) 0.24739(9) 0.0632(7) Uani 1 1 d .
O7 O 0.5087(2) 0.31496(15) 0.24915(7) 0.0439(6) Uani 1 1 d D
O8 O -0.0077(2) 0.15183(15) 0.24296(8) 0.0468(6) Uani 1 1 d D
O10 O -0.2460(3) 0.3226(2) 0.50469(16) 0.1363(16) Uani 1 1 d .
O11 O -0.2408(3) 0.17109(19) 0.50095(11) 0.0938(10) Uani 1 1 d .
O12 O -0.1755(5) 0.2435(3) 0.56836(14) 0.1661(18) Uani 1 1 d .
O13 O -0.0443(3) 0.2510(2) 0.50635(14) 0.1055(12) Uani 1 1 d .
N1 N 0.4029(3) 0.18915(19) 0.33024(9) 0.0459(7) Uani 1 1 d .
N2 N 0.3790(3) 0.30630(19) 0.66387(9) 0.0481(7) Uani 1 1 d .
N3 N -0.0243(3) 0.0203(2) 0.33075(9) 0.0470(7) Uani 1 1 d .
N4 N -0.0338(3) -0.00555(19) 0.16827(9) 0.0441(7) Uani 1 1 d .
N5 N 0.5080(3) 0.4131(2) 0.33596(10) 0.0619(9) Uani 1 1 d .
N6 N 0.4931(4) 0.4123(2) 0.16330(10) 0.0625(9) Uani 1 1 d .
C1 C 0.2646(3) 0.0045(2) 0.25090(10) 0.0386(8) Uani 1 1 d .
H1 H 0.3471 -0.0222 0.2530 0.046 Uiso 1 1 calc R
C2 C 0.1882(3) 0.3391(2) 0.24748(10) 0.0382(8) Uani 1 1 d .
H2 H 0.2608 0.3762 0.2494 0.046 Uiso 1 1 calc R
C3 C 0.6513(5) 0.0723(3) 0.24558(15) 0.0775(13) Uani 1 1 d .
H3 H 0.5943 0.0254 0.2409 0.093 Uiso 1 1 calc R
C4 C 0.2919(4) 0.1940(3) 0.35444(12) 0.0648(12) Uani 1 1 d .
H4 H 0.2116 0.1873 0.3371 0.078 Uiso 1 1 calc R
C5 C 0.5146(4) 0.1961(3) 0.35678(12) 0.0612(11) Uani 1 1 d .
H5 H 0.5935 0.1906 0.3412 0.073 Uiso 1 1 calc R
C6 C 0.2896(4) 0.2085(3) 0.40341(12) 0.0710(12) Uani 1 1 d .
H6 H 0.2095 0.2118 0.4184 0.085 Uiso 1 1 calc R
C7 C 0.5219(4) 0.2110(3) 0.40574(13) 0.0702(12) Uani 1 1 d .
H7 H 0.6039 0.2162 0.4221 0.084 Uiso 1 1 calc R
C8 C 0.4087(4) 0.2181(3) 0.43041(12) 0.0576(11) Uani 1 1 d .
C9 C 0.4198(4) 0.2383(3) 0.48289(13) 0.0705(12) Uani 1 1 d .
H9 H 0.5050 0.2375 0.4969 0.085 Uiso 1 1 calc R
C10 C 0.3297(5) 0.2564(3) 0.51103(14) 0.0722(12) Uani 1 1 d .
H10 H 0.2434 0.2573 0.4979 0.087 Uiso 1 1 calc R
C11 C 0.3497(4) 0.2765(3) 0.56352(12) 0.0593(11) Uani 1 1 d .
C12 C 0.2421(4) 0.2830(3) 0.59180(13) 0.0766(13) Uani 1 1 d .
H12 H 0.1571 0.2783 0.5778 0.092 Uiso 1 1 calc R
C13 C 0.4725(4) 0.2892(3) 0.58645(13) 0.0688(12) Uani 1 1 d .
H13 H 0.5482 0.2879 0.5687 0.083 Uiso 1 1 calc R
C14 C 0.2604(4) 0.2963(3) 0.64072(12) 0.0705(13) Uani 1 1 d .
H14 H 0.1858 0.2986 0.6590 0.085 Uiso 1 1 calc R
C15 C 0.4825(4) 0.3040(3) 0.63609(12) 0.0626(11) Uani 1 1 d .
H15 H 0.5661 0.3127 0.6507 0.075 Uiso 1 1 calc R
C16 C -0.0544(4) 0.0917(3) 0.35480(11) 0.0556(10) Uani 1 1 d .
H16 H -0.0816 0.1403 0.3370 0.067 Uiso 1 1 calc R
C17 C 0.0155(4) -0.0479(3) 0.35755(11) 0.0571(10) Uani 1 1 d .
H17 H 0.0388 -0.0984 0.3416 0.069 Uiso 1 1 calc R
C18 C -0.0478(4) 0.0982(3) 0.40439(12) 0.0626(11) Uani 1 1 d .
H18 H -0.0703 0.1500 0.4193 0.075 Uiso 1 1 calc R
C19 C 0.0241(4) -0.0478(3) 0.40703(12) 0.0607(11) Uani 1 1 d .
H19 H 0.0508 -0.0977 0.4238 0.073 Uiso 1 1 calc R
C20 C -0.0072(4) 0.0266(3) 0.43209(11) 0.0538(10) Uani 1 1 d .
C21 C -0.0029(4) 0.0323(3) 0.48532(11) 0.0623(11) Uani 1 1 d .
H21 H -0.0044 0.0876 0.4988 0.075 Uiso 1 1 calc R
C22 C -0.0012(4) -0.0315(3) 0.01587(10) 0.0563(10) Uani 1 1 d .
H22 H 0.0064 -0.0879 0.0041 0.068 Uiso 1 1 calc R
C23 C -0.0147(3) -0.0218(2) 0.06803(11) 0.0483(9) Uani 1 1 d .
C24 C 0.0042(4) -0.0920(2) 0.09906(11) 0.0565(10) Uani 1 1 d .
H24 H 0.0232 -0.1466 0.0867 0.068 Uiso 1 1 calc R
C25 C -0.0467(4) 0.0560(3) 0.08940(12) 0.0656(12) Uani 1 1 d .
H25 H -0.0623 0.1050 0.0703 0.079 Uiso 1 1 calc R
C26 C -0.0052(4) -0.0811(2) 0.14759(11) 0.0534(10) Uani 1 1 d .
H26 H 0.0093 -0.1292 0.1675 0.064 Uiso 1 1 calc R
C27 C -0.0557(4) 0.0614(2) 0.13827(11) 0.0584(11) Uani 1 1 d .
H27 H -0.0782 0.1146 0.1515 0.070 Uiso 1 1 calc R
C28 C 0.4029(5) 0.4321(3) 0.36002(14) 0.0797(14) Uani 1 1 d .
H28 H 0.3210 0.4274 0.3436 0.096 Uiso 1 1 calc R
C29 C 0.6213(5) 0.4223(3) 0.36181(15) 0.0846(14) Uani 1 1 d .
H29 H 0.6988 0.4096 0.3465 0.102 Uiso 1 1 calc R
C30 C 0.4045(5) 0.4586(3) 0.40816(15) 0.0820(14) Uani 1 1 d .
H30 H 0.3261 0.4708 0.4230 0.098 Uiso 1 1 calc R
C31 C 0.6335(5) 0.4489(3) 0.40929(14) 0.0866(15) Uani 1 1 d .
H31 H 0.7167 0.4549 0.4246 0.104 Uiso 1 1 calc R
C32 C 0.5244(5) 0.4662(3) 0.43335(13) 0.0704(13) Uani 1 1 d .
C33 C 0.5442(6) 0.4916(3) 0.48638(17) 0.0946(16) Uani 1 1 d .
H33 H 0.6307 0.4946 0.4992 0.113 Uiso 1 1 calc R
C34 C 0.5973(5) 0.4161(3) 0.13582(14) 0.0827(14) Uani 1 1 d .
H34 H 0.6787 0.3984 0.1494 0.099 Uiso 1 1 calc R
C35 C 0.3829(5) 0.4381(3) 0.14201(15) 0.0854(15) Uani 1 1 d .
H35 H 0.3075 0.4373 0.1600 0.102 Uiso 1 1 calc R
C36 C 0.5918(5) 0.4445(3) 0.08839(14) 0.0822(14) Uani 1 1 d .
H36 H 0.6683 0.4463 0.0711 0.099 Uiso 1 1 calc R
C37 C 0.3693(5) 0.4671(3) 0.09426(15) 0.0882(15) Uani 1 1 d .
H37 H 0.2869 0.4843 0.0814 0.106 Uiso 1 1 calc R
C38 C 0.4742(4) 0.4700(3) 0.06691(13) 0.0605(11) Uani 1 1 d .
C39 C 0.4560(5) 0.4997(3) 0.01545(13) 0.0751(13) Uani 1 1 d .
H39 H 0.3724 0.5195 0.0053 0.090 Uiso 1 1 calc R
H8A H 0.0738(19) 0.181(2) 0.2431(11) 0.069(5) Uiso 1 1 d D
H7A H 0.513(3) 0.345(2) 0.2770(7) 0.069(5) Uiso 1 1 d D
H7B H 0.507(3) 0.346(2) 0.2219(7) 0.069(5) Uiso 1 1 d D
H8B H -0.071(2) 0.1933(19) 0.2453(12) 0.069(5) Uiso 1 1 d D
O9 O -0.1917(3) 0.2725(3) 0.26136(18) 0.1313(16) Uani 1 1 d D
H9A H -0.204(3) 0.274(3) 0.2254(5) 0.069(5) Uiso 1 1 d D
H9B H -0.2795(19) 0.268(2) 0.2704(10) 0.069(5) Uiso 1 1 d D
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'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
O10 Cl O13 115.5(2) . .
O10 Cl O11 116.5(2) . .
O13 Cl O11 114.1(2) . .
O10 Cl O12 103.9(3) . .
O13 Cl O12 101.3(3) . .
O11 Cl O12 102.7(2) . .
O5 Mn1 O2 104.92(12) . .
O5 Mn1 O4 174.52(11) . .
O2 Mn1 O4 80.51(9) . .
O5 Mn1 O7 84.93(11) . .
O2 Mn1 O7 170.06(9) . .
O4 Mn1 O7 89.63(8) . .
O5 Mn1 N2 92.72(10) . 4_565
O2 Mn1 N2 89.69(10) . 4_565
O4 Mn1 N2 87.99(9) . 4_565
O7 Mn1 N2 91.18(9) . 4_565
O5 Mn1 N1 91.35(10) . .
O2 Mn1 N1 89.18(10) . .
O4 Mn1 N1 87.97(9) . .
O7 Mn1 N1 89.26(9) . .
N2 Mn1 N1 175.93(10) 4_565 .
O6 Mn2 O3 90.13(10) 1_455 2_545
O6 Mn2 O8 84.13(9) 1_455 .
O3 Mn2 O8 174.25(9) 2_545 .
O6 Mn2 O1 169.99(10) 1_455 .
O3 Mn2 O1 79.86(9) 2_545 .
O8 Mn2 O1 105.87(9) . .
O6 Mn2 N3 90.42(10) 1_455 .
O3 Mn2 N3 88.95(9) 2_545 .
O8 Mn2 N3 91.48(10) . .
O1 Mn2 N3 89.13(9) . .
O6 Mn2 N4 92.63(10) 1_455 .
O3 Mn2 N4 88.10(9) 2_545 .
O8 Mn2 N4 91.76(10) . .
O1 Mn2 N4 87.35(9) . .
N3 Mn2 N4 175.76(11) . .
C1 O1 Mn2 120.0(2) . .
C1 O2 Mn1 139.6(2) . .
C2 O3 Mn2 128.9(2) . 2
C2 O4 Mn1 132.4(2) . .
C3 O5 Mn1 150.5(4) . .
C3 O6 Mn2 170.5(3) . 1_655
C5 N1 C4 115.8(3) . .
C5 N1 Mn1 122.1(2) . .
C4 N1 Mn1 121.6(2) . .
C15 N2 C14 115.7(3) . .
C15 N2 Mn1 123.1(2) . 4_566
C14 N2 Mn1 120.8(2) . 4_566
C16 N3 C17 116.3(3) . .
C16 N3 Mn2 123.3(2) . .
C17 N3 Mn2 120.5(2) . .
C26 N4 C27 116.1(3) . .
C26 N4 Mn2 122.6(2) . .
C27 N4 Mn2 121.2(2) . .
C28 N5 C29 113.7(3) . .
C35 N6 C34 114.6(3) . .
O2 C1 O1 126.8(3) . .
O3 C2 O4 128.6(3) . .
O5 C3 O6 147.8(5) . .
N1 C4 C6 123.8(3) . .
N1 C5 C7 124.4(4) . .
C4 C6 C8 119.3(4) . .
C8 C7 C5 119.9(4) . .
C7 C8 C6 116.7(3) . .
C7 C8 C9 118.6(4) . .
C6 C8 C9 124.7(4) . .
C10 C9 C8 128.9(4) . .
C9 C10 C11 125.4(4) . .
C12 C11 C13 116.7(3) . .
C12 C11 C10 119.7(4) . .
C13 C11 C10 123.7(4) . .
C14 C12 C11 119.9(4) . .
C11 C13 C15 119.8(4) . .
N2 C14 C12 124.3(4) . .
N2 C15 C13 123.5(4) . .
N3 C16 C18 124.0(3) . .
N3 C17 C19 124.0(4) . .
C16 C18 C20 119.3(4) . .
C17 C19 C20 119.8(3) . .
C19 C20 C18 116.6(3) . .
C19 C20 C21 123.6(3) . .
C18 C20 C21 119.8(3) . .
C21 C21 C20 125.8(5) 3_556 .
C22 C22 C23 126.2(5) 3 .
C25 C23 C24 116.0(3) . .
C25 C23 C22 123.0(3) . .
C24 C23 C22 120.9(3) . .
C26 C24 C23 120.0(3) . .
C27 C25 C23 120.4(3) . .
N4 C26 C24 123.9(3) . .
N4 C27 C25 123.6(3) . .
N5 C28 C30 125.2(4) . .
N5 C29 C31 125.5(4) . .
C32 C30 C28 118.6(4) . .
C32 C31 C29 119.6(4) . .
C31 C32 C30 117.3(4) . .
C31 C32 C33 117.0(4) . .
C30 C32 C33 125.6(4) . .
C33 C33 C32 125.5(8) 3_666 .
N6 C34 C36 123.9(4) . .
N6 C35 C37 124.8(4) . .
C38 C36 C34 120.0(4) . .
C38 C37 C35 120.1(4) . .
C37 C38 C36 116.5(4) . .
C37 C38 C39 118.9(4) . .
C36 C38 C39 124.6(4) . .
C39 C39 C38 125.8(6) 3_665 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cl O10 1.350(3) .
Cl O13 1.392(3) .
Cl O11 1.394(3) .
Cl O12 1.479(4) .
Mn1 O5 2.103(3) .
Mn1 O2 2.129(2) .
Mn1 O4 2.163(2) .
Mn1 O7 2.233(2) .
Mn1 N2 2.297(2) 4_565
Mn1 N1 2.302(2) .
Mn2 O6 2.158(3) 1_455
Mn2 O3 2.177(2) 2_545
Mn2 O8 2.177(2) .
Mn2 O1 2.205(2) .
Mn2 N3 2.251(2) .
Mn2 N4 2.260(2) .
O1 C1 1.238(4) .
O2 C1 1.214(4) .
O3 C2 1.215(4) .
O3 Mn2 2.177(2) 2
O4 C2 1.242(4) .
O5 C3 1.127(5) .
O6 C3 1.173(5) .
O6 Mn2 2.158(3) 1_655
N1 C5 1.323(4) .
N1 C4 1.337(4) .
N2 C15 1.329(4) .
N2 C14 1.343(4) .
N2 Mn1 2.297(2) 4_566
N3 C16 1.327(4) .
N3 C17 1.335(4) .
N4 C26 1.334(4) .
N4 C27 1.334(4) .
N5 C28 1.314(5) .
N5 C29 1.331(5) .
N6 C35 1.299(5) .
N6 C34 1.331(5) .
C4 C6 1.374(4) .
C5 C7 1.372(5) .
C6 C8 1.396(5) .
C7 C8 1.366(5) .
C8 C9 1.484(5) .
C9 C10 1.258(5) .
C10 C11 1.489(5) .
C11 C12 1.375(5) .
C11 C13 1.383(5) .
C12 C14 1.372(5) .
C13 C15 1.391(5) .
C16 C18 1.374(4) .
C17 C19 1.367(4) .
C18 C20 1.393(5) .
C19 C20 1.384(5) .
C20 C21 1.473(4) .
C21 C21 1.283(7) 3_556
C22 C22 1.309(7) 3
C22 C23 1.463(4) .
C23 C25 1.380(5) .
C23 C24 1.387(5) .
C24 C26 1.360(4) .
C25 C27 1.362(4) .
C28 C30 1.392(5) .
C29 C31 1.375(5) .
C30 C32 1.376(6) .
C31 C32 1.343(6) .
C32 C33 1.522(6) .
C33 C33 1.224(8) 3_666
C34 C36 1.382(5) .
C35 C37 1.394(5) .
C36 C38 1.362(5) .
C37 C38 1.334(5) .
C38 C39 1.498(5) .
C39 C39 1.264(7) 3_665
