#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:02:03 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179046 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/08/4300813.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_4300813
loop_
_publ_author_name
'Sanghoon Kim'
'Jong Seung Kim'
'Sung Kuk Kim'
'Il-Hwan Suh'
'Sang Ook Kang'
'Jaejung Ko'
_publ_contact_author_name        'Jaejung Ko'
_publ_section_title
;

Two Organometallic Fragments Inclusioned in a 1,3-Alternate Calix[4]arene

Tetraphosphane: Evidence for Transition Metal-Arene Interaction through

the Cavity

;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1846
_journal_page_last               1851
_journal_paper_doi               10.1021/ic048402l
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C86 H80 Ag2 B2 Cl4 F8 O4 P4'
_chemical_formula_weight         1832.54
_chemical_name_systematic
;

?

;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 97.9780(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.7622(14)
_cell_length_b                   13.7204(10)
_cell_length_c                   32.702(2)
_cell_measurement_reflns_used    4334
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.108
_cell_measurement_theta_min      2.192
_cell_volume                     8336.8(10)
_computing_cell_refinement       'SMART (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT-Plus (Bruker, 1999)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD diffractometer'
_diffrn_measurement_method       ω-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  0.0902
_diffrn_reflns_av_sigmaI/netI    0.1158
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            29783
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    0.742
_exptl_absorpt_correction_T_max  0.879
_exptl_absorpt_correction_T_min  0.604
_exptl_absorpt_correction_type   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.460
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3728
_exptl_crystal_size_max          0.254
_exptl_crystal_size_mid          0.218
_exptl_crystal_size_min          0.174
_refine_diff_density_max         0.741
_refine_diff_density_min         -0.914
_refine_diff_density_rms         0.076
_refine_ls_extinction_coef       0.00016(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.883
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     498
_refine_ls_number_reflns         10374
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.883
_refine_ls_R_factor_all          0.1388
_refine_ls_R_factor_gt           0.0555
_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)+(0.0815P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1404
_refine_ls_wR_factor_ref         0.1727
_reflns_number_gt                4471
_reflns_number_total             10374
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic048402lsi20041117_060434_1.cif
_cod_data_source_block           kor235bm
_cod_original_cell_volume        8336.9(11)
_cod_database_code               4300813
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl1 Cl 0.3921(3) 0.2999(4) 0.05268(17) 0.298(3) Uani 1 1 d . . .
Cl2 Cl 0.4390(3) 0.1076(4) 0.05589(18) 0.295(3) Uani 1 1 d . . .
CC C 0.4482(10) 0.2236(14) 0.0777(4) 0.297(12) Uani 1 1 d . . .
HC1 H 0.4396 0.2204 0.1063 0.356 Uiso 1 1 calc R . .
HC2 H 0.4970 0.2466 0.0774 0.356 Uiso 1 1 calc R . .
Ag Ag 0.08221(2) 0.26246(3) 0.153329(13) 0.06371(17) Uani 1 1 d . . .
P1 P 0.03920(7) 0.12893(9) 0.10742(4) 0.0481(3) Uani 1 1 d . . .
P2 P 0.18581(7) 0.36898(8) 0.16803(4) 0.0454(3) Uani 1 1 d . . .
O1 O 0.11398(15) 0.37545(19) 0.25019(9) 0.0431(7) Uani 1 1 d . . .
O2 O 0.04684(16) 0.12209(19) 0.31691(9) 0.0447(7) Uani 1 1 d . . .
B B 0.1012(4) 0.7594(5) 0.1672(3) 0.076(2) Uani 1 1 d . . .
F1 F 0.0957(3) 0.6769(3) 0.18610(18) 0.156(2) Uani 1 1 d . . .
F2 F 0.1599(2) 0.8115(4) 0.18690(19) 0.1560(19) Uani 1 1 d . . .
F3 F 0.0470(2) 0.8203(3) 0.17077(17) 0.1325(17) Uani 1 1 d . . .
F4 F 0.1152(5) 0.7512(4) 0.12926(19) 0.220(4) Uani 1 1 d . . .
C1 C 0.1181(3) 0.0730(4) 0.09105(15) 0.0539(12) Uani 1 1 d . . .
C2 C 0.1519(3) 0.1199(4) 0.06123(18) 0.0736(16) Uani 1 1 d . . .
H2 H 0.1311 0.1748 0.0478 0.088 Uiso 1 1 calc R . .
C3 C 0.2178(4) 0.0837(6) 0.0516(2) 0.093(2) Uani 1 1 d . . .
H3 H 0.2412 0.1157 0.0321 0.112 Uiso 1 1 calc R . .
C4 C 0.2477(4) 0.0019(6) 0.0705(2) 0.098(2) Uani 1 1 d . . .
H4 H 0.2908 -0.0221 0.0637 0.117 Uiso 1 1 calc R . .
C5 C 0.2146(4) -0.0447(5) 0.0995(2) 0.0860(19) Uani 1 1 d . . .
H5 H 0.2351 -0.1006 0.1122 0.103 Uiso 1 1 calc R . .
C6 C 0.1505(3) -0.0094(4) 0.11005(17) 0.0687(15) Uani 1 1 d . . .
H6 H 0.1288 -0.0413 0.1302 0.082 Uiso 1 1 calc R . .
C7 C -0.0154(3) 0.1631(3) 0.05959(14) 0.0528(12) Uani 1 1 d . . .
C8 C -0.0239(4) 0.2584(4) 0.04799(18) 0.0778(18) Uani 1 1 d . . .
H8 H -0.0016 0.3065 0.0652 0.093 Uiso 1 1 calc R . .
C9 C -0.0650(5) 0.2854(5) 0.0112(2) 0.107(3) Uani 1 1 d . . .
H9 H -0.0701 0.3509 0.0040 0.128 Uiso 1 1 calc R . .
C10 C -0.0974(5) 0.2167(7) -0.0139(2) 0.119(3) Uani 1 1 d . . .
H10 H -0.1256 0.2348 -0.0383 0.143 Uiso 1 1 calc R . .
C11 C -0.0896(4) 0.1199(6) -0.0038(2) 0.113(3) Uani 1 1 d . . .
H11 H -0.1116 0.0724 -0.0216 0.136 Uiso 1 1 calc R . .
C12 C -0.0487(4) 0.0937(4) 0.03286(17) 0.0837(19) Uani 1 1 d . . .
H12 H -0.0434 0.0281 0.0398 0.100 Uiso 1 1 calc R . .
C13 C -0.0104(3) 0.0295(3) 0.12720(15) 0.0565(13) Uani 1 1 d . . .
H13A H -0.0280 -0.0134 0.1045 0.068 Uiso 1 1 calc R . .
H13B H 0.0225 -0.0078 0.1468 0.068 Uiso 1 1 calc R . .
C14 C 0.1976(3) 0.4403(4) 0.12271(16) 0.0660(15) Uani 1 1 d . . .
C15 C 0.2700(2) 0.3012(3) 0.17764(14) 0.0451(11) Uani 1 1 d . . .
C16 C 0.3289(3) 0.3311(3) 0.20485(17) 0.0591(13) Uani 1 1 d . . .
H16 H 0.3263 0.3882 0.2199 0.071 Uiso 1 1 calc R . .
C17 C 0.3917(3) 0.2772(4) 0.2100(2) 0.0709(16) Uani 1 1 d . . .
H17 H 0.4306 0.2976 0.2288 0.085 Uiso 1 1 calc R . .
C18 C 0.3970(3) 0.1945(4) 0.18774(19) 0.0666(15) Uani 1 1 d . . .
H18 H 0.4400 0.1599 0.1904 0.080 Uiso 1 1 calc R . .
C19 C 0.3387(3) 0.1625(4) 0.16146(18) 0.0659(15) Uani 1 1 d . . .
H19 H 0.3418 0.1050 0.1468 0.079 Uiso 1 1 calc R . .
C20 C 0.2755(3) 0.2144(3) 0.15653(16) 0.0573(13) Uani 1 1 d . . .
H20 H 0.2360 0.1911 0.1389 0.069 Uiso 1 1 calc R . .
C21 C 0.1899(2) 0.4613(3) 0.20848(14) 0.0470(11) Uani 1 1 d . . .
H21A H 0.2359 0.4946 0.2100 0.056 Uiso 1 1 calc R . .
H21B H 0.1526 0.5091 0.2002 0.056 Uiso 1 1 calc R . .
C22 C 0.1816(2) 0.4260(3) 0.25096(14) 0.0518(12) Uani 1 1 d . . .
H22A H 0.2209 0.3825 0.2609 0.062 Uiso 1 1 calc R . .
H22B H 0.1832 0.4810 0.2697 0.062 Uiso 1 1 calc R . .
C23 C 0.0850(2) 0.3840(3) 0.28692(13) 0.0401(10) Uani 1 1 d . . .
C24 C 0.0299(2) 0.4520(3) 0.28758(13) 0.0396(10) Uani 1 1 d . . .
C25 C 0.0040(3) 0.4670(3) 0.32529(14) 0.0478(11) Uani 1 1 d . . .
H25 H -0.0323 0.5125 0.3269 0.057 Uiso 1 1 calc R . .
C26 C 0.0317(3) 0.4152(3) 0.35992(15) 0.0526(12) Uani 1 1 d . . .
H26 H 0.0154 0.4278 0.3850 0.063 Uiso 1 1 calc R . .
C27 C 0.0831(3) 0.3450(3) 0.35783(15) 0.0518(12) Uani 1 1 d . . .
H27 H 0.0995 0.3085 0.3812 0.062 Uiso 1 1 calc R . .
C28 C 0.1117(2) 0.3271(3) 0.32109(14) 0.0433(10) Uani 1 1 d . . .
C29 C 0.0000 0.5094(4) 0.2500 0.0470(16) Uani 1 2 d S . .
H29A H 0.0379 0.5513 0.2426 0.056 Uiso 0.50 1 calc PR . .
H29B H -0.0379 0.5513 0.2574 0.056 Uiso 0.50 1 calc PR . .
C31 C 0.1502(2) 0.1754(3) 0.28645(14) 0.0449(11) Uani 1 1 d . . .
C32 C 0.1928(3) 0.1631(3) 0.25551(16) 0.0527(12) Uani 1 1 d . . .
H32 H 0.2339 0.2011 0.2557 0.063 Uiso 1 1 calc R . .
C35 C 0.0685(2) 0.0515(3) 0.25277(13) 0.0409(10) Uani 1 1 d . . .
C36 C 0.0893(2) 0.1162(3) 0.28496(13) 0.0421(10) Uani 1 1 d . . .
C30 C 0.1691(3) 0.2505(3) 0.31988(15) 0.0514(12) Uani 1 1 d . . .
H30A H 0.2137 0.2823 0.3156 0.062 Uiso 1 1 calc R . .
H30B H 0.1772 0.2178 0.3464 0.062 Uiso 1 1 calc R . .
C33 C 0.1759(3) 0.0967(3) 0.22468(15) 0.0538(12) Uani 1 1 d . . .
H33 H 0.2062 0.0881 0.2047 0.065 Uiso 1 1 calc R . .
C34 C 0.1139(3) 0.0423(3) 0.22322(14) 0.0501(12) Uani 1 1 d . . .
H34 H 0.1024 -0.0018 0.2017 0.060 Uiso 1 1 calc R . .
C40 C 0.1999(6) 0.5361(6) 0.1211(2) 0.146(4) Uani 1 1 d . . .
H40 H 0.1944 0.5715 0.1447 0.175 Uiso 1 1 calc R . .
C41 C 0.2100(7) 0.5866(7) 0.0855(3) 0.166(4) Uani 1 1 d . . .
H41 H 0.2116 0.6543 0.0864 0.199 Uiso 1 1 calc R . .
C42 C 0.2172(6) 0.5441(8) 0.0518(3) 0.171(5) Uani 1 1 d . . .
H42 H 0.2214 0.5776 0.0275 0.205 Uiso 1 1 calc R . .
C43 C 0.2180(14) 0.4551(10) 0.0543(4) 0.47(2) Uani 1 1 d . . .
H43 H 0.2272 0.4204 0.0311 0.559 Uiso 1 1 calc R . .
C44 C 0.2064(12) 0.4017(8) 0.0888(3) 0.394(16) Uani 1 1 d . . .
H44 H 0.2051 0.3341 0.0868 0.472 Uiso 1 1 calc R . .
C45 C 0.0000 -0.0075(4) 0.2500 0.0543(18) Uani 1 2 d S . .
H45A H -0.0029 -0.0493 0.2259 0.065 Uiso 0.50 1 calc PR . .
H45B H 0.0029 -0.0493 0.2741 0.065 Uiso 0.50 1 calc PR . .
C46 C 0.0731(3) 0.0619(4) 0.35190(14) 0.0564(13) Uani 1 1 d . . .
H46A H 0.1069 0.0985 0.3712 0.068 Uiso 1 1 calc R . .
H46B H 0.0978 0.0055 0.3428 0.068 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'
B B 0.0013 0.0007 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 '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
_geom_angle_publ_flag
Cl1 CC Cl2 111.2(8) . . ?
P2 Ag P1 139.77(4) . . ?
C7 P1 C1 104.0(2) . . ?
C7 P1 C13 104.2(2) . . ?
C1 P1 C13 105.4(2) . . ?
C7 P1 Ag 115.97(16) . . ?
C1 P1 Ag 106.64(15) . . ?
C13 P1 Ag 119.14(16) . . ?
C14 P2 C15 102.4(2) . . ?
C14 P2 C21 102.7(2) . . ?
C15 P2 C21 106.3(2) . . ?
C14 P2 Ag 110.4(2) . . ?
C15 P2 Ag 112.22(14) . . ?
C21 P2 Ag 120.93(15) . . ?
C23 O1 C22 113.1(3) . . ?
C36 O2 C46 113.1(3) . . ?
F1 B F4 114.6(6) . . ?
F1 B F3 113.1(6) . . ?
F4 B F3 113.1(8) . . ?
F1 B F2 109.7(7) . . ?
F4 B F2 103.4(7) . . ?
F3 B F2 101.6(6) . . ?
C6 C1 C2 118.4(5) . . ?
C6 C1 P1 122.5(4) . . ?
C2 C1 P1 118.8(4) . . ?
C1 C2 C3 119.6(6) . . ?
C4 C3 C2 120.3(6) . . ?
C5 C4 C3 120.3(6) . . ?
C4 C5 C6 120.3(6) . . ?
C5 C6 C1 121.0(6) . . ?
C8 C7 C12 117.3(5) . . ?
C8 C7 P1 121.3(4) . . ?
C12 C7 P1 121.4(4) . . ?
C7 C8 C9 121.8(6) . . ?
C10 C9 C8 119.5(7) . . ?
C9 C10 C11 120.8(7) . . ?
C10 C11 C12 119.2(7) . . ?
C11 C12 C7 121.3(6) . . ?
C46 C13 P1 114.2(3) 2 . ?
C44 C14 C40 112.0(7) . . ?
C44 C14 P2 122.5(6) . . ?
C40 C14 P2 125.5(5) . . ?
C16 C15 C20 117.8(4) . . ?
C16 C15 P2 123.8(3) . . ?
C20 C15 P2 118.4(4) . . ?
C15 C16 C17 120.8(5) . . ?
C18 C17 C16 120.4(5) . . ?
C17 C18 C19 119.5(5) . . ?
C18 C19 C20 120.7(5) . . ?
C19 C20 C15 120.6(5) . . ?
C22 C21 P2 116.6(3) . . ?
O1 C22 C21 110.1(4) . . ?
O1 C23 C24 116.7(4) . . ?
O1 C23 C28 120.2(4) . . ?
C24 C23 C28 123.0(4) . . ?
C23 C24 C25 117.4(4) . . ?
C23 C24 C29 122.1(4) . . ?
C25 C24 C29 120.5(4) . . ?
C26 C25 C24 120.7(4) . . ?
C27 C26 C25 120.7(4) . . ?
C26 C27 C28 121.3(4) . . ?
C23 C28 C27 116.8(4) . . ?
C23 C28 C30 123.1(4) . . ?
C27 C28 C30 120.1(4) . . ?
C24 C29 C24 116.7(5) . 2 ?
C32 C31 C36 117.2(4) . . ?
C32 C31 C30 120.8(4) . . ?
C36 C31 C30 122.0(4) . . ?
C33 C32 C31 121.6(5) . . ?
C34 C35 C36 116.9(4) . . ?
C34 C35 C45 120.8(4) . . ?
C36 C35 C45 122.3(4) . . ?
C35 C36 C31 122.6(4) . . ?
C35 C36 O2 118.2(4) . . ?
C31 C36 O2 119.2(4) . . ?
C31 C30 C28 113.5(4) . . ?
C32 C33 C34 119.7(4) . . ?
C33 C34 C35 121.8(4) . . ?
C14 C40 C41 122.8(8) . . ?
C42 C41 C40 122.7(9) . . ?
C43 C42 C41 113.7(9) . . ?
C42 C43 C44 125.3(11) . . ?
C14 C44 C43 123.3(11) . . ?
C35 C45 C35 115.2(5) 2 . ?
O2 C46 C13 109.1(4) . 2 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cl1 CC 1.623(19) . ?
Cl2 CC 1.743(18) . ?
Ag P2 2.4261(13) . ?
Ag P1 2.4342(12) . ?
P1 C7 1.809(5) . ?
P1 C1 1.813(5) . ?
P1 C13 1.819(5) . ?
P2 C14 1.815(5) . ?
P2 C15 1.822(5) . ?
P2 C21 1.825(4) . ?
O1 C23 1.391(5) . ?
O1 C22 1.443(5) . ?
O2 C36 1.401(5) . ?
O2 C46 1.441(5) . ?
B F1 1.300(8) . ?
B F4 1.309(9) . ?
B F3 1.334(8) . ?
B F2 1.394(9) . ?
C1 C6 1.389(7) . ?
C1 C2 1.392(7) . ?
C2 C3 1.409(8) . ?
C3 C4 1.364(9) . ?
C4 C5 1.361(9) . ?
C5 C6 1.384(8) . ?
C7 C8 1.365(6) . ?
C7 C12 1.382(7) . ?
C8 C9 1.387(9) . ?
C9 C10 1.338(11) . ?
C10 C11 1.371(10) . ?
C11 C12 1.380(8) . ?
C13 C46 1.507(6) 2 ?
C14 C44 1.259(9) . ?
C14 C40 1.316(8) . ?
C15 C16 1.382(6) . ?
C15 C20 1.388(6) . ?
C16 C17 1.382(7) . ?
C17 C18 1.359(7) . ?
C18 C19 1.366(7) . ?
C19 C20 1.373(7) . ?
C21 C22 1.500(6) . ?
C23 C24 1.396(6) . ?
C23 C28 1.397(6) . ?
C24 C25 1.402(6) . ?
C24 C29 1.501(5) . ?
C25 C26 1.377(6) . ?
C26 C27 1.372(6) . ?
C27 C28 1.403(6) . ?
C28 C30 1.510(6) . ?
C29 C24 1.501(5) 2 ?
C31 C32 1.383(6) . ?
C31 C36 1.397(6) . ?
C31 C30 1.509(6) . ?
C32 C33 1.363(7) . ?
C35 C34 1.381(6) . ?
C35 C36 1.391(6) . ?
C35 C45 1.510(5) . ?
C33 C34 1.377(6) . ?
C40 C41 1.390(10) . ?
C41 C42 1.270(11) . ?
C42 C43 1.224(13) . ?
C43 C44 1.389(14) . ?
C45 C35 1.510(5) 2 ?
C46 C13 1.507(6) 2 ?
