#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:26:20 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179449 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/46/4334656.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_4334656
loop_
_publ_author_name
'Li-Yi Zhang'
'Liang-Jin Xu'
'Xu Zhang'
'Jin-Yun Wang'
'Jia Li'
'Zhong-Ning Chen'
_publ_section_title
;
 Spectroscopic and Phosphorescent Modulation in Triphosphine-Supported
 PtAg2 Heterotrinuclear Alkynyl Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5167
_journal_page_last               5175
_journal_paper_doi               10.1021/ic4000457
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C98 H106 Ag2 Cl2 N2 O16 P6 Pt'
_chemical_formula_weight         2235.40
_chemical_name_systematic
; 
 ? 
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.669(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.908(3)
_cell_length_b                   27.768(7)
_cell_length_c                   15.394(3)
_cell_measurement_temperature    293(2)
_cell_volume                     5128(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0815
_diffrn_reflns_av_sigmaI/netI    0.0767
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            40697
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.69
_exptl_absorpt_coefficient_mu    1.946
_exptl_absorpt_correction_T_max  0.5810
_exptl_absorpt_correction_T_min  0.3939
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_description       Block
_exptl_crystal_F_000             2264
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.044
_refine_diff_density_min         -0.984
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         8982
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0632
_refine_ls_R_factor_gt           0.0465
_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)+(0.0304P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0880
_refine_ls_wR_factor_ref         0.0955
_reflns_number_gt                7798
_reflns_number_total             8982
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic4000457_si_002_09.cif
_cod_data_source_block           9(MeCN)2
_cod_original_cell_volume        5127.6(19)
_cod_database_code               4334656
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
Pt1 Pt 0.5000 0.5000 0.0000 0.03199(8) Uani 1 2 d S
Ag1 Ag 0.60939(3) 0.399837(14) 0.04116(3) 0.05121(12) Uani 1 1 d .
P1 P 0.52441(11) 0.38155(4) -0.12708(9) 0.0419(3) Uani 1 1 d .
P2 P 0.40287(10) 0.47905(4) -0.15367(8) 0.0358(3) Uani 1 1 d .
P3 P 0.76069(11) 0.43900(5) 0.16586(10) 0.0494(3) Uani 1 1 d .
N1 N 0.5980(6) 0.3167(2) 0.0946(4) 0.0950(19) Uani 1 1 d .
C1 C 0.3920(4) 0.41408(15) -0.1768(3) 0.0406(11) Uani 1 1 d .
H1A H 0.3398 0.4005 -0.1517 0.049 Uiso 1 1 calc R
H1B H 0.3618 0.4090 -0.2439 0.049 Uiso 1 1 calc R
C2 C 0.7410(4) 0.50355(16) 0.1791(4) 0.0469(13) Uani 1 1 d .
H2A H 0.7854 0.5129 0.2427 0.056 Uiso 1 1 calc R
H2B H 0.7689 0.5212 0.1378 0.056 Uiso 1 1 calc R
C3 C 0.6015(5) 0.39546(17) -0.2012(4) 0.0518(13) Uani 1 1 d .
C4 C 0.7136(5) 0.4068(2) -0.1591(5) 0.082(2) Uani 1 1 d .
H4A H 0.7498 0.3800 -0.1189 0.098 Uiso 1 1 calc R
H4B H 0.7194 0.4343 -0.1188 0.098 Uiso 1 1 calc R
C5 C 0.7758(7) 0.4173(3) -0.2147(7) 0.099(3) Uani 1 1 d .
H5A H 0.8513 0.4245 -0.1867 0.119 Uiso 1 1 calc R
C6 C 0.7254(9) 0.4170(3) -0.3097(7) 0.105(3) Uani 1 1 d .
H6A H 0.7670 0.4240 -0.3462 0.126 Uiso 1 1 calc R
C7 C 0.6163(7) 0.4065(2) -0.3513(5) 0.089(2) Uani 1 1 d .
H7A H 0.5830 0.4066 -0.4162 0.107 Uiso 1 1 calc R
C8 C 0.5533(6) 0.39570(19) -0.2976(4) 0.0680(17) Uani 1 1 d .
H8A H 0.4779 0.3886 -0.3269 0.082 Uiso 1 1 calc R
C9 C 0.4821(4) 0.31903(17) -0.1570(3) 0.0483(12) Uani 1 1 d .
C10 C 0.5564(6) 0.2871(2) -0.1692(5) 0.088(2) Uani 1 1 d .
H10A H 0.6252 0.2982 -0.1672 0.106 Uiso 1 1 calc R
C11 C 0.5306(8) 0.2385(2) -0.1845(6) 0.116(3) Uani 1 1 d .
H11A H 0.5820 0.2173 -0.1928 0.139 Uiso 1 1 calc R
C12 C 0.4328(8) 0.2222(2) -0.1874(6) 0.109(3) Uani 1 1 d .
H12A H 0.4157 0.1897 -0.1974 0.130 Uiso 1 1 calc R
C13 C 0.3577(7) 0.2531(2) -0.1756(6) 0.110(3) Uani 1 1 d .
H13A H 0.2893 0.2415 -0.1778 0.132 Uiso 1 1 calc R
C14 C 0.3816(6) 0.3018(2) -0.1605(5) 0.087(2) Uani 1 1 d .
H14A H 0.3293 0.3226 -0.1527 0.104 Uiso 1 1 calc R
C15 C 0.4428(5) 0.50263(15) -0.2473(3) 0.0444(12) Uani 1 1 d .
C16 C 0.3657(6) 0.5041(2) -0.3384(4) 0.0646(17) Uani 1 1 d .
H16A H 0.2923 0.4948 -0.3511 0.078 Uiso 1 1 calc R
C17 C 0.3977(7) 0.5192(3) -0.4103(4) 0.088(2) Uani 1 1 d .
H17A H 0.3455 0.5207 -0.4710 0.106 Uiso 1 1 calc R
C18 C 0.5051(8) 0.5318(2) -0.3925(5) 0.086(2) Uani 1 1 d .
H18A H 0.5260 0.5416 -0.4415 0.104 Uiso 1 1 calc R
C19 C 0.5829(6) 0.5304(2) -0.3036(5) 0.0755(19) Uani 1 1 d .
H19A H 0.6562 0.5395 -0.2921 0.091 Uiso 1 1 calc R
C20 C 0.5518(5) 0.51512(17) -0.2299(4) 0.0544(14) Uani 1 1 d .
H20A H 0.6047 0.5134 -0.1695 0.065 Uiso 1 1 calc R
C21 C 0.8929(5) 0.4344(2) 0.1498(4) 0.0680(17) Uani 1 1 d .
C22 C 0.9576(8) 0.4695(3) 0.1499(9) 0.194(6) Uani 1 1 d .
H22A H 0.9383 0.5006 0.1602 0.233 Uiso 1 1 calc R
C23 C 1.0573(9) 0.4615(5) 0.1346(13) 0.294(11) Uani 1 1 d .
H23A H 1.1005 0.4877 0.1310 0.353 Uiso 1 1 calc R
C24 C 1.0900(8) 0.4182(5) 0.1254(10) 0.178(6) Uani 1 1 d .
C25 C 1.0222(9) 0.3810(5) 0.1214(9) 0.181(5) Uani 1 1 d .
H25A H 1.0416 0.3502 0.1094 0.217 Uiso 1 1 calc R
C26 C 0.9240(7) 0.3885(3) 0.1351(6) 0.125(3) Uani 1 1 d .
H26A H 0.8784 0.3625 0.1345 0.150 Uiso 1 1 calc R
C27 C 0.7938(5) 0.4156(2) 0.2836(4) 0.0615(16) Uani 1 1 d .
C28 C 0.8848(6) 0.4334(3) 0.3576(5) 0.090(2) Uani 1 1 d .
H28A H 0.9314 0.4562 0.3468 0.107 Uiso 1 1 calc R
C29 C 0.9053(8) 0.4172(4) 0.4466(6) 0.116(3) Uani 1 1 d .
H29A H 0.9652 0.4298 0.4960 0.139 Uiso 1 1 calc R
C30 C 0.8414(9) 0.3837(4) 0.4639(6) 0.122(4) Uani 1 1 d .
H30A H 0.8576 0.3729 0.5246 0.147 Uiso 1 1 calc R
C31 C 0.7518(8) 0.3653(3) 0.3920(6) 0.105(3) Uani 1 1 d .
H31A H 0.7075 0.3419 0.4044 0.125 Uiso 1 1 calc R
C32 C 0.7262(6) 0.3812(2) 0.3003(5) 0.080(2) Uani 1 1 d .
H32A H 0.6651 0.3689 0.2516 0.096 Uiso 1 1 calc R
C33 C 0.4273(4) 0.44290(17) 0.0327(3) 0.0392(11) Uani 1 1 d .
C34 C 0.3838(4) 0.40792(17) 0.0511(3) 0.0436(12) Uani 1 1 d .
C35 C 0.3338(4) 0.36768(17) 0.0806(4) 0.0483(13) Uani 1 1 d .
C36 C 0.2434(5) 0.34342(18) 0.0179(4) 0.0570(14) Uani 1 1 d .
H36A H 0.2142 0.3524 -0.0447 0.068 Uiso 1 1 calc R
C37 C 0.1972(5) 0.3057(2) 0.0496(5) 0.0666(16) Uani 1 1 d .
C38 C 0.2396(5) 0.2912(2) 0.1417(5) 0.0665(17) Uani 1 1 d .
C39 C 0.3300(5) 0.3159(2) 0.2043(4) 0.0630(16) Uani 1 1 d .
C40 C 0.3774(4) 0.35380(18) 0.1739(4) 0.0544(14) Uani 1 1 d .
H40A H 0.4385 0.3700 0.2159 0.065 Uiso 1 1 calc R
C41 C 0.0518(8) 0.2971(3) -0.0987(7) 0.160(4) Uani 1 1 d .
H41A H -0.0111 0.2769 -0.1305 0.240 Uiso 1 1 calc R
H41B H 0.1022 0.2967 -0.1315 0.240 Uiso 1 1 calc R
H41C H 0.0267 0.3295 -0.0966 0.240 Uiso 1 1 calc R
C42 C 0.2273(8) 0.2094(3) 0.1690(7) 0.137(4) Uani 1 1 d .
H42A H 0.1898 0.1870 0.1948 0.206 Uiso 1 1 calc R
H42B H 0.3061 0.2082 0.2043 0.206 Uiso 1 1 calc R
H42C H 0.2131 0.2011 0.1051 0.206 Uiso 1 1 calc R
C43 C 0.4446(9) 0.3278(3) 0.3627(6) 0.154(4) Uani 1 1 d .
H43A H 0.4614 0.3131 0.4228 0.232 Uiso 1 1 calc R
H43B H 0.4165 0.3597 0.3633 0.232 Uiso 1 1 calc R
H43C H 0.5111 0.3293 0.3487 0.232 Uiso 1 1 calc R
C44 C 0.5574(7) 0.2813(2) 0.0926(5) 0.089(2) Uani 1 1 d .
C45 C 0.5008(9) 0.2363(3) 0.0889(7) 0.170(5) Uani 1 1 d .
H45A H 0.5118 0.2260 0.1512 0.255 Uiso 1 1 calc R
H45B H 0.5304 0.2125 0.0592 0.255 Uiso 1 1 calc R
H45C H 0.4226 0.2404 0.0539 0.255 Uiso 1 1 calc R
O1 O 0.1074(4) 0.27987(17) -0.0062(4) 0.1043(17) Uani 1 1 d .
O2 O 0.1882(4) 0.25586(16) 0.1731(4) 0.0954(16) Uani 1 1 d .
O3 O 0.3643(5) 0.30030(17) 0.2945(4) 0.0984(16) Uani 1 1 d .
Cl1 Cl 0.56138(15) 0.10660(7) 0.22310(12) 0.0773(5) Uani 1 1 d .
O5 O 0.4702(4) 0.13797(19) 0.1951(4) 0.1149(18) Uani 1 1 d .
O6 O 0.6056(6) 0.0960(2) 0.3173(3) 0.149(3) Uani 1 1 d .
O4 O 0.5367(10) 0.0658(3) 0.1772(5) 0.279(7) Uani 1 1 d .
O7 O 0.6391(6) 0.1263(4) 0.2017(8) 0.299(7) Uani 1 1 d .
O8 O 0.2918(8) 0.3371(4) 0.5079(7) 0.206(4) Uiso 1 1 d .
C49 C 0.3558(10) 0.2565(5) 0.5455(8) 0.220(6) Uiso 1 1 d .
H49A H 0.3538 0.2322 0.5894 0.330 Uiso 1 1 calc R
H49B H 0.4314 0.2666 0.5599 0.330 Uiso 1 1 calc R
H49C H 0.3265 0.2434 0.4834 0.330 Uiso 1 1 calc R
C48 C 0.2900(13) 0.2967(7) 0.5514(11) 0.257(8) Uiso 1 1 d .
H48A H 0.2130 0.2860 0.5294 0.308 Uiso 1 1 calc R
H48B H 0.3110 0.3044 0.6172 0.308 Uiso 1 1 calc R
C47 C 0.2120(12) 0.4092(6) 0.4335(11) 0.258(8) Uiso 1 1 d .
H47A H 0.1588 0.4327 0.4366 0.387 Uiso 1 1 calc R
H47B H 0.1883 0.3962 0.3715 0.387 Uiso 1 1 calc R
H47C H 0.2835 0.4243 0.4489 0.387 Uiso 1 1 calc R
C46 C 0.2195(16) 0.3744(7) 0.4934(13) 0.287(9) Uiso 1 1 d .
H46A H 0.1457 0.3604 0.4755 0.344 Uiso 1 1 calc R
H46B H 0.2354 0.3896 0.5537 0.344 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'
P P 0.1023 0.0942 '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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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
C33 Pt1 C33 180.000(1) 3_665 .
C33 Pt1 P2 86.00(13) 3_665 3_665
C33 Pt1 P2 94.00(13) . 3_665
C33 Pt1 P2 94.00(13) 3_665 .
C33 Pt1 P2 86.00(13) . .
P2 Pt1 P2 180.00(6) 3_665 .
C33 Pt1 Ag1 56.88(13) 3_665 3_665
C33 Pt1 Ag1 123.12(13) . 3_665
P2 Pt1 Ag1 91.01(3) 3_665 3_665
P2 Pt1 Ag1 88.99(3) . 3_665
C33 Pt1 Ag1 123.12(13) 3_665 .
C33 Pt1 Ag1 56.88(13) . .
P2 Pt1 Ag1 88.99(3) 3_665 .
P2 Pt1 Ag1 91.01(3) . .
Ag1 Pt1 Ag1 180.0 3_665 .
P3 Ag1 P1 146.93(5) . .
P3 Ag1 N1 106.49(15) . .
P1 Ag1 N1 95.70(14) . .
P3 Ag1 C33 106.37(11) . .
P1 Ag1 C33 89.93(10) . .
N1 Ag1 C33 106.41(18) . .
P3 Ag1 Pt1 86.11(3) . .
P1 Ag1 Pt1 88.71(3) . .
N1 Ag1 Pt1 146.40(15) . .
C33 Ag1 Pt1 40.15(10) . .
C3 P1 C9 103.1(2) . .
C3 P1 C1 106.0(2) . .
C9 P1 C1 102.6(2) . .
C3 P1 Ag1 118.9(2) . .
C9 P1 Ag1 115.86(17) . .
C1 P1 Ag1 108.78(15) . .
C2 P2 C15 107.4(2) 3_665 .
C2 P2 C1 102.8(2) 3_665 .
C15 P2 C1 102.9(2) . .
C2 P2 Pt1 106.23(17) 3_665 .
C15 P2 Pt1 121.02(18) . .
C1 P2 Pt1 114.89(15) . .
C21 P3 C27 102.9(3) . .
C21 P3 C2 105.1(3) . .
C27 P3 C2 103.2(2) . .
C21 P3 Ag1 112.45(19) . .
C27 P3 Ag1 116.8(2) . .
C2 P3 Ag1 114.93(17) . .
C44 N1 Ag1 154.6(7) . .
P1 C1 P2 114.3(2) . .
P2 C2 P3 114.1(3) 3_665 .
C8 C3 C4 118.7(5) . .
C8 C3 P1 122.9(5) . .
C4 C3 P1 118.3(5) . .
C3 C4 C5 119.7(7) . .
C6 C5 C4 119.9(8) . .
C7 C6 C5 120.8(7) . .
C6 C7 C8 120.2(8) . .
C3 C8 C7 120.6(7) . .
C14 C9 C10 118.1(5) . .
C14 C9 P1 122.3(4) . .
C10 C9 P1 119.4(4) . .
C9 C10 C11 121.1(7) . .
C12 C11 C10 120.1(7) . .
C11 C12 C13 120.0(7) . .
C12 C13 C14 120.9(7) . .
C9 C14 C13 119.8(7) . .
C20 C15 C16 119.3(5) . .
C20 C15 P2 120.3(4) . .
C16 C15 P2 120.1(5) . .
C17 C16 C15 120.2(7) . .
C18 C17 C16 120.2(7) . .
C17 C18 C19 120.9(6) . .
C18 C19 C20 119.7(7) . .
C15 C20 C19 119.8(6) . .
C22 C21 C26 118.2(7) . .
C22 C21 P3 126.1(5) . .
C26 C21 P3 115.7(6) . .
C21 C22 C23 121.0(9) . .
C24 C23 C22 121.1(11) . .
C23 C24 C25 119.0(9) . .
C24 C25 C26 120.0(10) . .
C25 C26 C21 120.3(9) . .
C32 C27 C28 119.6(6) . .
C32 C27 P3 120.0(5) . .
C28 C27 P3 120.4(5) . .
C29 C28 C27 119.6(8) . .
C30 C29 C28 121.6(9) . .
C29 C30 C31 120.0(9) . .
C30 C31 C32 120.7(9) . .
C27 C32 C31 118.5(7) . .
C34 C33 Pt1 178.7(4) . .
C34 C33 Ag1 96.2(3) . .
Pt1 C33 Ag1 82.97(15) . .
C33 C34 C35 175.4(5) . .
C36 C35 C40 120.1(5) . .
C36 C35 C34 121.1(5) . .
C40 C35 C34 118.8(5) . .
C37 C36 C35 119.1(5) . .
O1 C37 C38 114.6(5) . .
O1 C37 C36 123.6(6) . .
C38 C37 C36 121.7(6) . .
O2 C38 C37 120.8(6) . .
O2 C38 C39 120.1(6) . .
C37 C38 C39 118.9(5) . .
O3 C39 C40 124.7(6) . .
O3 C39 C38 115.1(5) . .
C40 C39 C38 120.2(6) . .
C39 C40 C35 120.0(5) . .
N1 C44 C45 177.9(9) . .
C37 O1 C41 116.8(5) . .
C38 O2 C42 114.6(5) . .
C39 O3 C43 117.6(5) . .
O7 Cl1 O4 106.6(8) . .
O7 Cl1 O6 107.5(6) . .
O4 Cl1 O6 107.8(4) . .
O7 Cl1 O5 107.6(5) . .
O4 Cl1 O5 111.3(5) . .
O6 Cl1 O5 115.6(4) . .
C48 O8 C46 126.5(14) . .
O8 C48 C49 120.9(15) . .
C47 C46 O8 123.0(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C33 1.999(4) 3_665
Pt1 C33 1.999(4) .
Pt1 P2 2.3055(13) 3_665
Pt1 P2 2.3055(13) .
Pt1 Ag1 3.0774(7) 3_665
Pt1 Ag1 3.0774(7) .
Ag1 P3 2.4316(14) .
Ag1 P1 2.4638(14) .
Ag1 N1 2.473(6) .
Ag1 C33 2.597(4) .
P1 C3 1.811(5) .
P1 C9 1.827(5) .
P1 C1 1.832(4) .
P2 C2 1.817(5) 3_665
P2 C15 1.822(5) .
P2 C1 1.834(4) .
P3 C21 1.817(6) .
P3 C27 1.821(6) .
P3 C2 1.832(4) .
N1 C44 1.109(8) .
C2 P2 1.817(5) 3_665
C3 C8 1.381(7) .
C3 C4 1.385(7) .
C4 C5 1.404(9) .
C5 C6 1.364(11) .
C6 C7 1.345(10) .
C7 C8 1.391(8) .
C9 C14 1.365(7) .
C9 C10 1.368(7) .
C10 C11 1.391(8) .
C11 C12 1.326(10) .
C12 C13 1.354(10) .
C13 C14 1.387(8) .
C15 C20 1.376(7) .
C15 C16 1.389(7) .
C16 C17 1.382(8) .
C17 C18 1.356(9) .
C18 C19 1.367(9) .
C19 C20 1.401(7) .
C21 C22 1.283(10) .
C21 C26 1.379(9) .
C22 C23 1.409(11) .
C23 C24 1.299(14) .
C24 C25 1.341(14) .
C25 C26 1.375(11) .
C27 C32 1.381(9) .
C27 C28 1.389(8) .
C28 C29 1.373(10) .
C29 C30 1.332(12) .
C30 C31 1.372(11) .
C31 C32 1.397(9) .
C33 C34 1.207(6) .
C34 C35 1.444(6) .
C35 C36 1.384(7) .
C35 C40 1.390(7) .
C36 C37 1.381(7) .
C37 O1 1.364(7) .
C37 C38 1.378(8) .
C38 O2 1.370(6) .
C38 C39 1.389(8) .
C39 O3 1.364(7) .
C39 C40 1.383(7) .
C41 O1 1.420(9) .
C42 O2 1.395(8) .
C43 O3 1.398(9) .
C44 C45 1.437(10) .
Cl1 O7 1.288(7) .
Cl1 O4 1.311(7) .
Cl1 O6 1.379(5) .
Cl1 O5 1.398(5) .
O8 C48 1.312(16) .
O8 C46 1.356(18) .
C49 C48 1.427(17) .
C47 C46 1.315(18) .
