#------------------------------------------------------------------------------
#$Date: 2016-03-25 22:48:39 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180016 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/10/7031075.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_7031075
loop_
_publ_author_name
'Sivanesan, Dharmalingam'
'Kannan, Sethuraman'
'Thangadurai, Thangaian Daniel'
'Jung, Kwang-Deog'
'Yoon, Sungho'
_publ_section_title
;
 Water is a key factor to alter the structure and electrochemical
 properties of carboxylate-bridged dimanganese(ii) complexes.
;
_journal_issue                   30
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11465
_journal_page_last               11469
_journal_paper_doi               10.1039/c4dt00520a
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C46 H50 F4 Mn O12'
_chemical_formula_weight         925.80
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                109.2440(10)
_cell_angle_beta                 90.1040(10)
_cell_angle_gamma                100.7220(10)
_cell_formula_units_Z            2
_cell_length_a                   11.3219(2)
_cell_length_b                   13.7116(2)
_cell_length_c                   15.3645(3)
_cell_measurement_reflns_used    9935
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.34
_cell_measurement_theta_min      2.37
_cell_volume                     2207.48(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_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  0.0142
_diffrn_reflns_av_sigmaI/netI    0.0165
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            39434
_diffrn_reflns_theta_full        28.38
_diffrn_reflns_theta_max         28.38
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    0.378
_exptl_absorpt_correction_T_max  0.96
_exptl_absorpt_correction_T_min  0.88
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.393
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             966
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.541
_refine_diff_density_min         -0.614
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     601
_refine_ls_number_reflns         10882
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0519
_refine_ls_R_factor_gt           0.0443
_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)+(0.0736P)²+1.5798P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1256
_refine_ls_wR_factor_ref         0.1324
_reflns_number_gt                9375
_reflns_number_total             10882
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt00520a2.cif
_cod_data_source_block           yjp124_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7031073--7031075.cif.
;
_cod_original_sg_symbol_H-M      'P-1 '
_cod_database_code               7031075
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Mn1 Mn 0.0000 0.5000 0.0000 0.01639(9) Uani 1 2 d S
Mn2 Mn 0.5000 0.5000 0.0000 0.01710(9) Uani 1 2 d S
O6 O 0.04151(11) 0.65039(9) 0.10960(8) 0.0220(2) Uani 1 1 d .
H1 H -0.0091 0.6528 0.1479 0.033 Uiso 1 1 calc R
O7 O -0.15302(11) 0.45449(10) 0.07699(8) 0.0216(2) Uani 1 1 d .
H2 H -0.1542 0.5027 0.1256 0.032 Uiso 1 1 calc R
O4 O 0.29134(11) 0.53305(9) 0.21835(8) 0.0225(2) Uani 1 1 d .
O5 O 0.12818(11) 0.43494(10) 0.06422(9) 0.0242(3) Uani 1 1 d .
H3 H 0.1012 0.3724 0.0554 0.036 Uiso 1 1 calc R
O3 O 0.25937(11) 0.67822(9) 0.19525(8) 0.0215(2) Uani 1 1 d .
O2 O 0.87778(11) 0.62513(10) 0.23612(8) 0.0241(3) Uani 1 1 d .
O10 O 0.49418(11) 0.48243(10) 0.13530(8) 0.0240(3) Uani 1 1 d .
H4 H 0.5503 0.5242 0.1694 0.036 Uiso 1 1 calc R
O9 O 0.37976(11) 0.61813(10) 0.03750(9) 0.0237(3) Uani 1 1 d .
H5 H 0.4144 0.6731 0.0310 0.036 Uiso 1 1 calc R
O8 O 0.66516(12) 0.61894(10) 0.04306(9) 0.0255(3) Uani 1 1 d .
H50 H 0.6839 0.6300 0.0975 0.038 Uiso 1 1 calc R
O1 O 0.68773(11) 0.63784(11) 0.21792(8) 0.0276(3) Uani 1 1 d .
F1 F 0.45406(13) 0.24344(10) 0.27242(9) 0.0435(3) Uani 1 1 d .
C2 C 0.77780(14) 0.71142(13) 0.36906(11) 0.0173(3) Uani 1 1 d .
C1 C 0.78320(14) 0.65379(12) 0.26666(11) 0.0170(3) Uani 1 1 d .
C3 C 0.69625(15) 0.66444(13) 0.41931(11) 0.0198(3) Uani 1 1 d .
C7 C 0.84179(15) 0.81551(13) 0.41029(11) 0.0208(3) Uani 1 1 d .
C20 C 0.27576(14) 0.62650(13) 0.24731(11) 0.0183(3) Uani 1 1 d .
F3 F -0.08870(13) 0.22560(10) 0.27033(11) 0.0458(3) Uani 1 1 d .
C21 C 0.27446(14) 0.68093(13) 0.35085(11) 0.0196(3) Uani 1 1 d .
C8 C 0.92611(15) 0.86909(13) 0.35844(11) 0.0204(3) Uani 1 1 d .
C14 C 0.63155(15) 0.55298(13) 0.37875(11) 0.0204(3) Uani 1 1 d .
C15 C 0.69607(16) 0.47234(14) 0.34547(12) 0.0241(3) Uani 1 1 d .
H6 H 0.7797 0.4889 0.3471 0.029 Uiso 1 1 calc R
C22 C 0.33937(16) 0.78449(14) 0.39289(12) 0.0242(3) Uani 1 1 d .
C13 C 1.03369(16) 0.83659(13) 0.33015(12) 0.0238(3) Uani 1 1 d .
H7 H 1.0536 0.7805 0.3443 0.029 Uiso 1 1 calc R
C28 C 0.14042(17) 0.44440(16) 0.40756(13) 0.0282(4) Uani 1 1 d .
H8 H 0.1960 0.4613 0.4575 0.034 Uiso 1 1 calc R
C26 C 0.20628(15) 0.62806(14) 0.40455(12) 0.0232(3) Uani 1 1 d .
F2 F 1.15582(14) 1.01878(11) 0.21350(10) 0.0497(4) Uani 1 1 d .
C32 C 0.04764(15) 0.49273(14) 0.29145(12) 0.0232(3) Uani 1 1 d .
H9 H 0.0407 0.5422 0.2634 0.028 Uiso 1 1 calc R
C5 C 0.74052(19) 0.82559(16) 0.55065(13) 0.0307(4) Uani 1 1 d .
H10A H 0.7278 0.8637 0.6111 0.037 Uiso 1 1 calc R
C19 C 0.50610(16) 0.52711(15) 0.37501(13) 0.0251(3) Uani 1 1 d .
H11 H 0.4623 0.5802 0.3977 0.030 Uiso 1 1 calc R
C17 C 0.51304(18) 0.34568(15) 0.30712(13) 0.0289(4) Uani 1 1 d .
C33 C 0.42088(15) 0.84378(14) 0.34346(12) 0.0229(3) Uani 1 1 d .
C16 C 0.63706(18) 0.36751(15) 0.30991(13) 0.0290(4) Uani 1 1 d .
H12 H 0.6801 0.3137 0.2886 0.035 Uiso 1 1 calc R
C27 C 0.13162(15) 0.51979(14) 0.36596(12) 0.0217(3) Uani 1 1 d .
C4 C 0.67808(17) 0.72272(15) 0.50993(12) 0.0269(4) Uani 1 1 d .
H13 H 0.6236 0.6923 0.5434 0.032 Uiso 1 1 calc R
C18 C 0.44567(17) 0.42282(16) 0.33769(14) 0.0301(4) Uani 1 1 d .
H14 H 0.3619 0.4057 0.3335 0.036 Uiso 1 1 calc R
C34 C 0.50956(16) 0.80022(14) 0.28996(13) 0.0265(4) Uani 1 1 d .
H15 H 0.5158 0.7313 0.2824 0.032 Uiso 1 1 calc R
C31 C -0.02589(16) 0.39354(15) 0.25821(13) 0.0268(4) Uani 1 1 d .
H16 H -0.0814 0.3757 0.2081 0.032 Uiso 1 1 calc R
F4 F 0.65482(14) 1.01762(11) 0.21973(11) 0.0513(4) Uani 1 1 d .
C12 C 1.11141(17) 0.88652(14) 0.28126(13) 0.0286(4) Uani 1 1 d .
H17 H 1.1830 0.8646 0.2624 0.034 Uiso 1 1 calc R
C38 C 0.41379(17) 0.94800(14) 0.35496(13) 0.0283(4) Uani 1 1 d .
H18 H 0.3561 0.9785 0.3915 0.034 Uiso 1 1 calc R
C6 C 0.82179(18) 0.87153(15) 0.50137(13) 0.0278(4) Uani 1 1 d .
H19A H 0.8636 0.9404 0.5291 0.033 Uiso 1 1 calc R
C30 C -0.01432(17) 0.32224(15) 0.30169(15) 0.0300(4) Uani 1 1 d .
C29 C 0.06738(18) 0.34472(16) 0.37543(15) 0.0326(4) Uani 1 1 d .
H20 H 0.0735 0.2946 0.4030 0.039 Uiso 1 1 calc R
C35 C 0.58831(18) 0.85781(16) 0.24797(15) 0.0331(4) Uani 1 1 d .
H21 H 0.6474 0.8285 0.2123 0.040 Uiso 1 1 calc R
C9 C 0.89882(17) 0.95458(14) 0.33794(14) 0.0285(4) Uani 1 1 d .
H22A H 0.8282 0.9780 0.3574 0.034 Uiso 1 1 calc R
C37 C 0.49155(19) 1.00664(15) 0.31261(14) 0.0325(4) Uani 1 1 d .
H23 H 0.4859 1.0756 0.3195 0.039 Uiso 1 1 calc R
C25 C 0.2034(2) 0.68075(17) 0.49926(13) 0.0344(4) Uani 1 1 d .
H24 H 0.1592 0.6463 0.5353 0.041 Uiso 1 1 calc R
C24 C 0.2653(2) 0.78343(19) 0.54016(14) 0.0429(5) Uani 1 1 d .
H25 H 0.2614 0.8180 0.6030 0.052 Uiso 1 1 calc R
C11 C 1.07966(19) 0.96925(15) 0.26156(13) 0.0320(4) Uani 1 1 d .
C23 C 0.3327(2) 0.83430(17) 0.48775(13) 0.0362(5) Uani 1 1 d .
H26 H 0.3745 0.9031 0.5159 0.043 Uiso 1 1 calc R
C10 C 0.9756(2) 1.00536(16) 0.28882(15) 0.0352(4) Uani 1 1 d .
H27A H 0.9571 1.0621 0.2748 0.042 Uiso 1 1 calc R
C36 C 0.57688(18) 0.96006(16) 0.26040(15) 0.0337(4) Uani 1 1 d .
O11 O 0.44077(15) 0.81198(13) 1.02471(12) 0.0436(4) Uani 1 1 d .
C42 C 0.3587(3) 0.87032(19) 1.08085(16) 0.0461(6) Uani 1 1 d .
H28A H 0.3932 0.9451 1.1036 0.055 Uiso 1 1 calc R
H29B H 0.3396 0.8469 1.1332 0.055 Uiso 1 1 calc R
C41 C 0.2492(3) 0.8483(3) 1.0186(2) 0.0590(7) Uani 1 1 d .
H30A H 0.2074 0.9069 1.0365 0.071 Uiso 1 1 calc R
H31B H 0.1943 0.7850 1.0188 0.071 Uiso 1 1 calc R
C39 C 0.4164(3) 0.8063(3) 0.9315(2) 0.0692(9) Uani 1 1 d .
H32A H 0.4156 0.7356 0.8894 0.083 Uiso 1 1 calc R
H33B H 0.4782 0.8549 0.9146 0.083 Uiso 1 1 calc R
C40 C 0.2988(4) 0.8340(4) 0.9260(2) 0.0913(13) Uani 1 1 d .
H34A H 0.2457 0.7784 0.8783 0.110 Uiso 1 1 calc R
H35B H 0.3072 0.8987 0.9117 0.110 Uiso 1 1 calc R
H36 H 0.113(3) 0.668(2) 0.1409(19) 0.045(7) Uiso 1 1 d .
H37 H 0.178(2) 0.472(2) 0.1156(18) 0.037(6) Uiso 1 1 d .
H38B H 0.429(3) 0.492(2) 0.165(2) 0.052(8) Uiso 1 1 d .
H39 H -0.222(3) 0.433(2) 0.048(2) 0.054(8) Uiso 1 1 d .
C44 C 0.7490(4) 0.8369(5) 0.9404(4) 0.1122(18) Uani 1 1 d .
H44A H 0.6799 0.7884 0.9494 0.135 Uiso 1 1 calc R
H44B H 0.7212 0.8839 0.9132 0.135 Uiso 1 1 calc R
O12 O 0.9202(2) 0.76634(16) 0.94456(16) 0.0633(5) Uani 1 1 d .
H40C H 0.346(2) 0.6303(19) 0.0870(18) 0.035(6) Uiso 1 1 d .
C46 C 0.8229(6) 0.8980(5) 1.0303(3) 0.141(3) Uani 1 1 d .
H46A H 0.8643 0.9662 1.0293 0.169 Uiso 1 1 calc R
H46B H 0.7717 0.9087 1.0818 0.169 Uiso 1 1 calc R
C43 C 0.8318(5) 0.7817(3) 0.8840(3) 0.0906(13) Uani 1 1 d .
H43A H 0.8716 0.8221 0.8473 0.109 Uiso 1 1 calc R
H43B H 0.7894 0.7141 0.8424 0.109 Uiso 1 1 calc R
C45 C 0.9064(3) 0.8366(2) 1.0382(2) 0.0702(9) Uani 1 1 d .
H45A H 0.8773 0.7955 1.0773 0.084 Uiso 1 1 calc R
H45B H 0.9832 0.8815 1.0654 0.084 Uiso 1 1 calc R
H49D H 0.735(4) 0.601(3) 0.008(3) 0.103(14) Uiso 1 1 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
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
O6 Mn1 O6 180.00(9) 2_565 .
O6 Mn1 O7 88.11(5) 2_565 2_565
O6 Mn1 O7 91.89(5) . 2_565
O6 Mn1 O7 91.89(5) 2_565 .
O6 Mn1 O7 88.11(5) . .
O7 Mn1 O7 179.999(1) 2_565 .
O6 Mn1 O5 91.86(5) 2_565 2_565
O6 Mn1 O5 88.14(5) . 2_565
O7 Mn1 O5 94.19(5) 2_565 2_565
O7 Mn1 O5 85.81(5) . 2_565
O6 Mn1 O5 88.14(5) 2_565 .
O6 Mn1 O5 91.86(5) . .
O7 Mn1 O5 85.81(5) 2_565 .
O7 Mn1 O5 94.19(5) . .
O5 Mn1 O5 180.0 2_565 .
O10 Mn2 O10 179.999(1) . 2_665
O10 Mn2 O8 88.68(5) . 2_665
O10 Mn2 O8 91.32(5) 2_665 2_665
O10 Mn2 O8 91.32(5) . .
O10 Mn2 O8 88.68(5) 2_665 .
O8 Mn2 O8 180.00(6) 2_665 .
O10 Mn2 O9 87.61(5) . 2_665
O10 Mn2 O9 92.39(5) 2_665 2_665
O8 Mn2 O9 93.95(5) 2_665 2_665
O8 Mn2 O9 86.05(5) . 2_665
O10 Mn2 O9 92.39(5) . .
O10 Mn2 O9 87.61(5) 2_665 .
O8 Mn2 O9 86.04(5) 2_665 .
O8 Mn2 O9 93.96(5) . .
O9 Mn2 O9 179.999(1) 2_665 .
C3 C2 C7 120.25(14) . .
C3 C2 C1 118.79(14) . .
C7 C2 C1 120.47(14) . .
O2 C1 O1 124.40(15) . .
O2 C1 C2 120.21(14) . .
O1 C1 C2 115.38(14) . .
C4 C3 C2 119.25(16) . .
C4 C3 C14 119.43(15) . .
C2 C3 C14 121.30(14) . .
C6 C7 C2 119.02(16) . .
C6 C7 C8 119.10(15) . .
C2 C7 C8 121.83(14) . .
O4 C20 O3 123.91(15) . .
O4 C20 C21 118.59(15) . .
O3 C20 C21 117.50(14) . .
C22 C21 C26 120.01(15) . .
C22 C21 C20 120.12(15) . .
C26 C21 C20 119.86(15) . .
C9 C8 C13 118.56(16) . .
C9 C8 C7 119.92(16) . .
C13 C8 C7 121.51(15) . .
C19 C14 C15 118.95(16) . .
C19 C14 C3 120.80(15) . .
C15 C14 C3 120.24(15) . .
C16 C15 C14 120.92(17) . .
C23 C22 C21 118.93(17) . .
C23 C22 C33 117.09(16) . .
C21 C22 C33 123.91(15) . .
C12 C13 C8 121.14(17) . .
C29 C28 C27 121.02(17) . .
C25 C26 C21 118.94(17) . .
C25 C26 C27 117.03(16) . .
C21 C26 C27 123.97(15) . .
C31 C32 C27 121.36(16) . .
C6 C5 C4 120.07(16) . .
C18 C19 C14 120.79(17) . .
F1 C17 C18 118.31(18) . .
F1 C17 C16 118.77(18) . .
C18 C17 C16 122.92(18) . .
C34 C33 C38 118.61(17) . .
C34 C33 C22 121.64(16) . .
C38 C33 C22 119.63(16) . .
C17 C16 C15 118.12(17) . .
C32 C27 C28 118.49(17) . .
C32 C27 C26 121.27(15) . .
C28 C27 C26 120.16(16) . .
C5 C4 C3 120.66(17) . .
C17 C18 C19 118.27(17) . .
C35 C34 C33 121.09(17) . .
C30 C31 C32 118.02(17) . .
C11 C12 C13 118.09(18) . .
C37 C38 C33 121.01(18) . .
C5 C6 C7 120.75(17) . .
F3 C30 C29 119.02(17) . .
F3 C30 C31 117.94(18) . .
C29 C30 C31 123.03(18) . .
C30 C29 C28 118.08(17) . .
C36 C35 C34 118.21(19) . .
C10 C9 C8 121.01(18) . .
C36 C37 C38 118.12(18) . .
C24 C25 C26 120.95(19) . .
C23 C24 C25 119.92(18) . .
F2 C11 C12 118.38(19) . .
F2 C11 C10 118.47(19) . .
C12 C11 C10 123.15(18) . .
C24 C23 C22 121.23(19) . .
C11 C10 C9 118.03(18) . .
F4 C36 C37 118.50(19) . .
F4 C36 C35 118.54(19) . .
C37 C36 C35 122.95(19) . .
C39 O11 C42 107.4(2) . .
O11 C42 C41 105.1(2) . .
C42 C41 C40 103.1(3) . .
O11 C39 C40 107.5(2) . .
C39 C40 C41 106.6(3) . .
C43 C44 C46 103.1(4) . .
C43 O12 C45 106.2(3) . .
C45 C46 C44 106.0(4) . .
C44 C43 O12 108.0(3) . .
C46 C45 O12 107.4(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O6 2.1579(12) 2_565
Mn1 O6 2.1579(12) .
Mn1 O7 2.2095(12) 2_565
Mn1 O7 2.2095(12) .
Mn1 O5 2.2209(12) 2_565
Mn1 O5 2.2209(12) .
Mn2 O10 2.1699(12) .
Mn2 O10 2.1699(12) 2_665
Mn2 O8 2.1779(12) 2_665
Mn2 O8 2.1779(12) .
Mn2 O9 2.2398(12) 2_665
Mn2 O9 2.2398(12) .
O4 C20 1.257(2) .
O3 C20 1.265(2) .
O2 C1 1.2483(19) .
O1 C1 1.256(2) .
F1 C17 1.361(2) .
C2 C3 1.404(2) .
C2 C7 1.407(2) .
C2 C1 1.517(2) .
C3 C4 1.396(2) .
C3 C14 1.488(2) .
C7 C6 1.399(2) .
C7 C8 1.488(2) .
C20 C21 1.520(2) .
F3 C30 1.364(2) .
C21 C22 1.407(2) .
C21 C26 1.411(2) .
C8 C9 1.395(2) .
C8 C13 1.396(2) .
C14 C19 1.395(2) .
C14 C15 1.395(2) .
C15 C16 1.391(3) .
C22 C23 1.400(3) .
C22 C33 1.490(3) .
C13 C12 1.387(3) .
C28 C29 1.389(3) .
C28 C27 1.400(2) .
C26 C25 1.399(2) .
C26 C27 1.490(2) .
F2 C11 1.366(2) .
C32 C31 1.387(3) .
C32 C27 1.392(2) .
C5 C6 1.385(3) .
C5 C4 1.388(3) .
C19 C18 1.391(3) .
C17 C18 1.377(3) .
C17 C16 1.378(3) .
C33 C34 1.394(3) .
C33 C38 1.399(3) .
C34 C35 1.382(3) .
C31 C30 1.377(3) .
F4 C36 1.364(2) .
C12 C11 1.373(3) .
C38 C37 1.389(3) .
C30 C29 1.376(3) .
C35 C36 1.382(3) .
C9 C10 1.391(3) .
C37 C36 1.371(3) .
C25 C24 1.384(3) .
C24 C23 1.375(3) .
C11 C10 1.375(3) .
O11 C39 1.432(3) .
O11 C42 1.440(3) .
C42 C41 1.486(4) .
C41 C40 1.496(5) .
C39 C40 1.461(5) .
C44 C43 1.428(6) .
C44 C46 1.510(8) .
O12 C43 1.454(4) .
O12 C45 1.472(4) .
C46 C45 1.408(6) .
