#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:14:20 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179886 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/82/7018293.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_7018293
loop_
_publ_author_name
'Tan, Xin'
'Chen, Xue'
'Zhang, Jianyong'
'Su, Cheng-Yong'
_publ_section_title
;
 Luminescent coordination polymer gels based on rigid terpyridyl phosphine
 and Ag(i).
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3616
_journal_page_last               3619
_journal_paper_doi               10.1039/c2dt00035k
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C66 H48 Ag B F4 N6 O2 P2'
_chemical_formula_weight         1213.72
_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                 105.763(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.2064(2)
_cell_length_b                   28.9067(4)
_cell_length_c                   20.2929(5)
_cell_measurement_reflns_used    4087
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      62.4421
_cell_measurement_theta_min      3.8016
_cell_volume                     5761.9(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.967
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0323
_diffrn_reflns_av_sigmaI/netI    0.0435
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            8220
_diffrn_reflns_theta_full        62.53
_diffrn_reflns_theta_max         62.53
_diffrn_reflns_theta_min         3.80
_exptl_absorpt_coefficient_mu    3.860
_exptl_absorpt_correction_T_max  0.5123
_exptl_absorpt_correction_T_min  0.5123
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.399
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2480
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.799
_refine_diff_density_min         -0.822
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     367
_refine_ls_number_reflns         4465
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0459
_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)+(0.0817P)²+3.9284P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1201
_refine_ls_wR_factor_ref         0.1273
_reflns_number_gt                3945
_reflns_number_total             4465
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt00035k.txt
_cod_data_source_block           Ag-BF4
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7018293
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
Ag1 Ag 0.5000 -0.100284(11) 0.7500 0.03979(16) Uani 1 2 d SU . .
P1 P 0.48933(9) -0.05653(3) 0.64317(5) 0.0394(2) Uani 1 1 d U . .
N1 N 0.8283(3) 0.34011(11) 0.72740(18) 0.0492(8) Uani 1 1 d . . .
N2 N -0.0839(4) 0.28166(14) 0.5217(3) 0.0831(14) Uani 1 1 d . . .
N3 N 0.4077(3) 0.24920(10) 0.63424(16) 0.0418(7) Uani 1 1 d . . .
C1 C 0.5325(3) 0.23231(12) 0.66241(18) 0.0394(8) Uani 1 1 d . . .
C2 C 0.5588(3) 0.18525(12) 0.67148(18) 0.0406(8) Uani 1 1 d . . .
H2B H 0.6473 0.1747 0.6896 0.049 Uiso 1 1 calc R . .
C3 C 0.4510(4) 0.15418(12) 0.65305(18) 0.0385(7) Uani 1 1 d . . .
C4 C 0.3214(3) 0.17223(12) 0.62621(19) 0.0401(8) Uani 1 1 d . . .
H4A H 0.2465 0.1526 0.6147 0.048 Uiso 1 1 calc R . .
C5 C 0.3034(3) 0.21961(12) 0.61650(18) 0.0395(8) Uani 1 1 d . . .
C6 C 0.4705(3) 0.10296(12) 0.65687(18) 0.0372(8) Uani 1 1 d . . .
C7 C 0.3751(3) 0.07455(12) 0.67503(18) 0.0399(8) Uani 1 1 d . . .
H7A H 0.3030 0.0877 0.6882 0.048 Uiso 1 1 calc R . .
C8 C 0.3876(4) 0.02710(12) 0.67346(18) 0.0401(8) Uani 1 1 d . . .
H8A H 0.3255 0.0085 0.6872 0.048 Uiso 1 1 calc R . .
C9 C 0.4921(3) 0.00663(12) 0.65163(17) 0.0377(7) Uani 1 1 d . . .
C10 C 0.5885(4) 0.03453(13) 0.63608(19) 0.0434(8) Uani 1 1 d . . .
H10A H 0.6607 0.0212 0.6232 0.052 Uiso 1 1 calc R . .
C11 C 0.5795(4) 0.08252(13) 0.63935(19) 0.0434(8) Uani 1 1 d . . .
H11A H 0.6468 0.1009 0.6298 0.052 Uiso 1 1 calc R . .
C12 C 0.6395(4) 0.26854(12) 0.68414(19) 0.0412(8) Uani 1 1 d . . .
C13 C 0.6207(4) 0.31168(14) 0.6540(3) 0.0590(11) Uani 1 1 d . . .
H13A H 0.5437 0.3177 0.6182 0.071 Uiso 1 1 calc R . .
C14 C 0.7161(4) 0.34574(14) 0.6769(3) 0.0616(12) Uani 1 1 d . . .
H14A H 0.7009 0.3745 0.6556 0.074 Uiso 1 1 calc R . .
C15 C 0.8470(4) 0.29842(15) 0.7565(2) 0.0534(10) Uani 1 1 d . . .
H15A H 0.9246 0.2935 0.7924 0.064 Uiso 1 1 calc R . .
C16 C 0.7571(4) 0.26209(14) 0.7362(2) 0.0505(9) Uani 1 1 d . . .
H16A H 0.7757 0.2334 0.7576 0.061 Uiso 1 1 calc R . .
C17 C 0.1682(4) 0.24058(13) 0.58416(19) 0.0431(8) Uani 1 1 d . . .
C18 C 0.0473(4) 0.22016(16) 0.5883(3) 0.0683(14) Uani 1 1 d . . .
H18A H 0.0478 0.1924 0.6115 0.082 Uiso 1 1 calc R . .
C19 C -0.0739(5) 0.24241(18) 0.5570(4) 0.0877(19) Uani 1 1 d . . .
H19A H -0.1541 0.2289 0.5609 0.105 Uiso 1 1 calc R . .
C20 C 0.0344(5) 0.30076(16) 0.5194(3) 0.0633(12) Uani 1 1 d . . .
H20A H 0.0312 0.3283 0.4955 0.076 Uiso 1 1 calc R . .
C21 C 0.1589(4) 0.28247(14) 0.5499(2) 0.0512(9) Uani 1 1 d . . .
H21A H 0.2375 0.2980 0.5478 0.061 Uiso 1 1 calc R . .
C22 C 0.6371(4) -0.07030(12) 0.6128(2) 0.0450(8) Uani 1 1 d . . .
C23 C 0.6367(5) -0.07105(15) 0.5447(2) 0.0565(10) Uani 1 1 d . . .
H23A H 0.5579 -0.0631 0.5112 0.068 Uiso 1 1 calc R . .
C24 C 0.7517(6) -0.08347(17) 0.5259(3) 0.0675(13) Uani 1 1 d . . .
H24A H 0.7492 -0.0842 0.4797 0.081 Uiso 1 1 calc R . .
C25 C 0.8689(6) -0.0946(2) 0.5739(3) 0.0779(15) Uani 1 1 d . . .
H25A H 0.9465 -0.1027 0.5609 0.093 Uiso 1 1 calc R . .
C26 C 0.8711(6) -0.0938(3) 0.6416(3) 0.097(2) Uani 1 1 d . . .
H26A H 0.9509 -0.1011 0.6749 0.117 Uiso 1 1 calc R . .
C27 C 0.7557(5) -0.0822(2) 0.6606(2) 0.0706(14) Uani 1 1 d . . .
H27A H 0.7580 -0.0825 0.7067 0.085 Uiso 1 1 calc R . .
C28 C 0.3444(4) -0.06651(13) 0.56824(19) 0.0458(9) Uani 1 1 d . . .
C29 C 0.2596(5) -0.03235(17) 0.5334(2) 0.0645(12) Uani 1 1 d . . .
H29A H 0.2746 -0.0018 0.5478 0.077 Uiso 1 1 calc R . .
C30 C 0.1518(5) -0.0431(2) 0.4771(3) 0.0767(15) Uani 1 1 d . . .
H30A H 0.0944 -0.0197 0.4545 0.092 Uiso 1 1 calc R . .
C31 C 0.1295(5) -0.0875(2) 0.4548(3) 0.0765(15) Uani 1 1 d . . .
H31A H 0.0574 -0.0946 0.4170 0.092 Uiso 1 1 calc R . .
C32 C 0.2139(6) -0.1216(2) 0.4883(3) 0.0854(17) Uani 1 1 d . . .
H32A H 0.2005 -0.1519 0.4725 0.103 Uiso 1 1 calc R . .
C33 C 0.3186(5) -0.11174(16) 0.5453(3) 0.0663(12) Uani 1 1 d . . .
H33A H 0.3728 -0.1356 0.5687 0.080 Uiso 1 1 calc R . .
O1 O 0.0514(13) 0.0031(5) 0.7147(7) 0.354(11) Uani 1 1 d . . .
B1 B 0.0000 0.1447(3) 0.7500 0.079(2) Uani 1 2 d S . .
F1 F 0.0715(11) 0.1257(4) 0.7068(5) 0.121(3) Uiso 0.50 1 d P A .
F2 F 0.0000 0.1910(6) 0.7500 0.283(7) Uiso 1 2 d S . .
F3 F 0.0997(12) 0.1508(4) 0.8083(6) 0.142(3) Uiso 0.50 1 d P A .
F4 F 0.114(2) 0.1204(8) 0.7507(13) 0.266(10) Uiso 0.50 1 d P A -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 '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
N1 Ag1 N1 88.77(16) 3_445 4_646
N1 Ag1 P1 112.76(9) 3_445 2_656
N1 Ag1 P1 109.89(8) 4_646 2_656
N1 Ag1 P1 109.89(8) 3_445 .
N1 Ag1 P1 112.76(9) 4_646 .
P1 Ag1 P1 118.85(4) 2_656 .
C22 P1 C9 104.83(17) . .
C22 P1 C28 103.92(18) . .
C9 P1 C28 102.89(16) . .
C22 P1 Ag1 109.87(12) . .
C9 P1 Ag1 115.41(12) . .
C28 P1 Ag1 118.51(13) . .
C14 N1 C15 116.4(3) . .
C14 N1 Ag1 119.4(3) . 3
C15 N1 Ag1 123.6(2) . 3
C19 N2 C20 115.6(4) . .
C5 N3 C1 118.5(3) . .
N3 C1 C2 122.7(3) . .
N3 C1 C12 113.9(3) . .
C2 C1 C12 123.3(3) . .
C1 C2 C3 119.1(3) . .
C1 C2 H2B 120.4 . .
C3 C2 H2B 120.4 . .
C4 C3 C2 117.6(3) . .
C4 C3 C6 119.5(3) . .
C2 C3 C6 122.8(3) . .
C3 C4 C5 120.1(3) . .
C3 C4 H4A 120.0 . .
C5 C4 H4A 120.0 . .
N3 C5 C4 121.9(3) . .
N3 C5 C17 115.7(3) . .
C4 C5 C17 122.4(3) . .
C11 C6 C7 118.8(3) . .
C11 C6 C3 120.9(3) . .
C7 C6 C3 120.3(3) . .
C8 C7 C6 120.2(3) . .
C8 C7 H7A 119.9 . .
C6 C7 H7A 119.9 . .
C7 C8 C9 120.9(3) . .
C7 C8 H8A 119.6 . .
C9 C8 H8A 119.6 . .
C10 C9 C8 118.8(3) . .
C10 C9 P1 123.9(3) . .
C8 C9 P1 117.3(3) . .
C9 C10 C11 120.9(3) . .
C9 C10 H10A 119.6 . .
C11 C10 H10A 119.6 . .
C6 C11 C10 120.2(3) . .
C6 C11 H11A 119.9 . .
C10 C11 H11A 119.9 . .
C16 C12 C13 116.7(3) . .
C16 C12 C1 123.1(3) . .
C13 C12 C1 120.1(3) . .
C14 C13 C12 119.8(4) . .
C14 C13 H13A 120.1 . .
C12 C13 H13A 120.1 . .
N1 C14 C13 124.0(4) . .
N1 C14 H14A 118.0 . .
C13 C14 H14A 118.0 . .
N1 C15 C16 123.5(4) . .
N1 C15 H15A 118.3 . .
C16 C15 H15A 118.3 . .
C12 C16 C15 119.7(4) . .
C12 C16 H16A 120.2 . .
C15 C16 H16A 120.2 . .
C21 C17 C18 117.4(4) . .
C21 C17 C5 120.4(3) . .
C18 C17 C5 122.2(4) . .
C19 C18 C17 118.1(5) . .
C19 C18 H18A 120.9 . .
C17 C18 H18A 120.9 . .
N2 C19 C18 124.8(5) . .
N2 C19 H19A 117.6 . .
C18 C19 H19A 117.6 . .
N2 C20 C21 124.3(4) . .
N2 C20 H20A 117.8 . .
C21 C20 H20A 117.8 . .
C20 C21 C17 119.7(4) . .
C20 C21 H21A 120.1 . .
C17 C21 H21A 120.1 . .
C27 C22 C23 117.7(4) . .
C27 C22 P1 117.9(3) . .
C23 C22 P1 124.4(3) . .
C24 C23 C22 120.7(4) . .
C24 C23 H23A 119.6 . .
C22 C23 H23A 119.6 . .
C25 C24 C23 120.8(4) . .
C25 C24 H24A 119.6 . .
C23 C24 H24A 119.6 . .
C24 C25 C26 119.1(5) . .
C24 C25 H25A 120.4 . .
C26 C25 H25A 120.4 . .
C25 C26 C27 120.2(5) . .
C25 C26 H26A 119.9 . .
C27 C26 H26A 119.9 . .
C22 C27 C26 121.3(5) . .
C22 C27 H27A 119.3 . .
C26 C27 H27A 119.3 . .
C29 C28 C33 117.9(4) . .
C29 C28 P1 124.5(3) . .
C33 C28 P1 117.6(3) . .
C28 C29 C30 120.6(4) . .
C28 C29 H29A 119.7 . .
C30 C29 H29A 119.7 . .
C31 C30 C29 120.5(5) . .
C31 C30 H30A 119.7 . .
C29 C30 H30A 119.7 . .
C30 C31 C32 119.4(5) . .
C30 C31 H31A 120.3 . .
C32 C31 H31A 120.3 . .
C31 C32 C33 120.8(5) . .
C31 C32 H32A 119.6 . .
C33 C32 H32A 119.6 . .
C32 C33 C28 120.7(5) . .
C32 C33 H33A 119.7 . .
C28 C33 H33A 119.7 . .
F2 B1 F3 82.5(7) . .
F2 B1 F3 82.5(7) . 2_556
F3 B1 F3 164.9(13) . 2_556
F2 B1 F4 121.3(11) . 2_556
F3 B1 F4 121.2(12) . 2_556
F3 B1 F4 67.5(11) 2_556 2_556
F2 B1 F4 121.3(11) . .
F3 B1 F4 67.5(11) . .
F3 B1 F4 121.2(12) 2_556 .
F4 B1 F4 117(2) 2_556 .
F2 B1 F1 113.2(6) . 2_556
F3 B1 F1 84.2(6) . 2_556
F3 B1 F1 101.8(6) 2_556 2_556
F4 B1 F1 37.8(10) 2_556 2_556
F4 B1 F1 112.4(11) . 2_556
F2 B1 F1 113.2(6) . .
F3 B1 F1 101.8(6) . .
F3 B1 F1 84.2(6) 2_556 .
F4 B1 F1 112.4(11) 2_556 .
F4 B1 F1 37.8(10) . .
F1 B1 F1 133.7(11) 2_556 .
F4 F1 B1 68.5(19) . .
B1 F2 F3 48.9(6) . .
B1 F2 F3 48.9(6) . 2_556
F3 F2 F3 97.9(12) . 2_556
B1 F3 F4 56.4(10) . .
B1 F3 F2 48.6(7) . .
F4 F3 F2 91.3(11) . .
F1 F4 B1 73.7(19) . .
F1 F4 F3 124(3) . .
B1 F4 F3 56.0(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N1 2.411(3) 3_445
Ag1 N1 2.411(3) 4_646
Ag1 P1 2.4866(9) 2_656
Ag1 P1 2.4866(9) .
P1 C22 1.821(4) .
P1 C9 1.833(3) .
P1 C28 1.834(4) .
N1 C14 1.323(6) .
N1 C15 1.333(5) .
N1 Ag1 2.411(3) 3
N2 C19 1.331(7) .
N2 C20 1.340(7) .
N3 C5 1.336(5) .
N3 C1 1.339(5) .
C1 C2 1.389(5) .
C1 C12 1.491(5) .
C2 C3 1.391(5) .
C2 H2B 0.9300 .
C3 C4 1.388(5) .
C3 C6 1.493(5) .
C4 C5 1.389(5) .
C4 H4A 0.9300 .
C5 C17 1.487(5) .
C6 C11 1.389(5) .
C6 C7 1.397(5) .
C7 C8 1.379(5) .
C7 H7A 0.9300 .
C8 C9 1.393(5) .
C8 H8A 0.9300 .
C9 C10 1.373(5) .
C10 C11 1.393(5) .
C10 H10A 0.9300 .
C11 H11A 0.9300 .
C12 C16 1.379(5) .
C12 C13 1.379(6) .
C13 C14 1.374(6) .
C13 H13A 0.9300 .
C14 H14A 0.9300 .
C15 C16 1.382(6) .
C15 H15A 0.9300 .
C16 H16A 0.9300 .
C17 C21 1.387(6) .
C17 C18 1.391(6) .
C18 C19 1.386(6) .
C18 H18A 0.9300 .
C19 H19A 0.9300 .
C20 C21 1.360(6) .
C20 H20A 0.9300 .
C21 H21A 0.9300 .
C22 C27 1.374(6) .
C22 C23 1.380(6) .
C23 C24 1.377(7) .
C23 H23A 0.9300 .
C24 C25 1.362(8) .
C24 H24A 0.9300 .
C25 C26 1.367(9) .
C25 H25A 0.9300 .
C26 C27 1.377(8) .
C26 H26A 0.9300 .
C27 H27A 0.9300 .
C28 C29 1.375(6) .
C28 C33 1.389(6) .
C29 C30 1.389(7) .
C29 H29A 0.9300 .
C30 C31 1.361(8) .
C30 H30A 0.9300 .
C31 C32 1.363(9) .
C31 H31A 0.9300 .
C32 C33 1.373(7) .
C32 H32A 0.9300 .
C33 H33A 0.9300 .
B1 F2 1.339(19) .
B1 F3 1.346(11) .
B1 F3 1.346(11) 2_556
B1 F4 1.35(2) 2_556
B1 F4 1.35(2) .
B1 F1 1.396(11) 2_556
B1 F1 1.396(11) .
F1 F4 0.89(2) .
F2 F3 1.770(15) .
F2 F3 1.770(15) 2_556
F3 F4 1.50(2) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N1 Ag1 P1 C22 -109.11(16) 3_445 .
N1 Ag1 P1 C22 -11.82(16) 4_646 .
P1 Ag1 P1 C22 118.90(14) 2_656 .
N1 Ag1 P1 C9 132.67(15) 3_445 .
N1 Ag1 P1 C9 -130.04(15) 4_646 .
P1 Ag1 P1 C9 0.68(12) 2_656 .
N1 Ag1 P1 C28 10.05(17) 3_445 .
N1 Ag1 P1 C28 107.35(17) 4_646 .
P1 Ag1 P1 C28 -121.93(15) 2_656 .
C5 N3 C1 C2 2.6(6) . .
C5 N3 C1 C12 -176.4(3) . .
N3 C1 C2 C3 -2.5(6) . .
C12 C1 C2 C3 176.4(3) . .
C1 C2 C3 C4 0.0(5) . .
C1 C2 C3 C6 176.1(3) . .
C2 C3 C4 C5 2.1(6) . .
C6 C3 C4 C5 -174.1(3) . .
C1 N3 C5 C4 -0.3(5) . .
C1 N3 C5 C17 -178.7(3) . .
C3 C4 C5 N3 -2.0(6) . .
C3 C4 C5 C17 176.3(4) . .
C4 C3 C6 C11 137.5(4) . .
C2 C3 C6 C11 -38.4(5) . .
C4 C3 C6 C7 -39.3(5) . .
C2 C3 C6 C7 144.7(4) . .
C11 C6 C7 C8 -1.9(5) . .
C3 C6 C7 C8 175.0(3) . .
C6 C7 C8 C9 -2.2(5) . .
C7 C8 C9 C10 4.4(5) . .
C7 C8 C9 P1 -173.9(3) . .
C22 P1 C9 C10 0.8(3) . .
C28 P1 C9 C10 -107.6(3) . .
Ag1 P1 C9 C10 121.8(3) . .
C22 P1 C9 C8 179.1(3) . .
C28 P1 C9 C8 70.7(3) . .
Ag1 P1 C9 C8 -59.9(3) . .
C8 C9 C10 C11 -2.5(5) . .
P1 C9 C10 C11 175.7(3) . .
C7 C6 C11 C10 3.8(5) . .
C3 C6 C11 C10 -173.1(3) . .
C9 C10 C11 C6 -1.6(6) . .
N3 C1 C12 C16 153.3(4) . .
C2 C1 C12 C16 -25.7(6) . .
N3 C1 C12 C13 -23.7(5) . .
C2 C1 C12 C13 157.3(4) . .
C16 C12 C13 C14 -0.9(7) . .
C1 C12 C13 C14 176.3(4) . .
C15 N1 C14 C13 0.2(8) . .
Ag1 N1 C14 C13 171.1(4) 3 .
C12 C13 C14 N1 0.0(8) . .
C14 N1 C15 C16 0.5(7) . .
Ag1 N1 C15 C16 -170.0(3) 3 .
C13 C12 C16 C15 1.5(6) . .
C1 C12 C16 C15 -175.6(4) . .
N1 C15 C16 C12 -1.4(7) . .
N3 C5 C17 C21 25.3(5) . .
C4 C5 C17 C21 -153.1(4) . .
N3 C5 C17 C18 -152.9(4) . .
C4 C5 C17 C18 28.6(6) . .
C21 C17 C18 C19 1.3(7) . .
C5 C17 C18 C19 179.5(5) . .
C20 N2 C19 C18 -2.3(10) . .
C17 C18 C19 N2 1.5(10) . .
C19 N2 C20 C21 0.5(8) . .
N2 C20 C21 C17 2.2(8) . .
C18 C17 C21 C20 -3.0(6) . .
C5 C17 C21 C20 178.7(4) . .
C9 P1 C22 C27 95.1(4) . .
C28 P1 C22 C27 -157.2(4) . .
Ag1 P1 C22 C27 -29.5(4) . .
C9 P1 C22 C23 -87.2(4) . .
C28 P1 C22 C23 20.5(4) . .
Ag1 P1 C22 C23 148.2(3) . .
C27 C22 C23 C24 0.1(7) . .
P1 C22 C23 C24 -177.6(4) . .
C22 C23 C24 C25 -1.0(8) . .
C23 C24 C25 C26 0.6(9) . .
C24 C25 C26 C27 0.6(11) . .
C23 C22 C27 C26 1.1(8) . .
P1 C22 C27 C26 179.0(5) . .
C25 C26 C27 C22 -1.5(11) . .
C22 P1 C28 C29 -112.8(4) . .
C9 P1 C28 C29 -3.7(4) . .
Ag1 P1 C28 C29 125.0(4) . .
C22 P1 C28 C33 67.3(4) . .
C9 P1 C28 C33 176.4(4) . .
Ag1 P1 C28 C33 -54.9(4) . .
C33 C28 C29 C30 0.0(7) . .
P1 C28 C29 C30 -179.9(4) . .
C28 C29 C30 C31 -1.0(9) . .
C29 C30 C31 C32 0.1(10) . .
C30 C31 C32 C33 1.7(10) . .
C31 C32 C33 C28 -2.8(9) . .
C29 C28 C33 C32 1.9(8) . .
P1 C28 C33 C32 -178.2(5) . .
F2 B1 F1 F4 111.8(19) . .
F3 B1 F1 F4 25(2) . .
F3 B1 F1 F4 -169(2) 2_556 .
F4 B1 F1 F4 -106(3) 2_556 .
F1 B1 F1 F4 -68.2(19) 2_556 .
F3 B1 F2 F3 180.000(3) 2_556 .
F4 B1 F2 F3 122.1(12) 2_556 .
F4 B1 F2 F3 -57.9(12) . .
F1 B1 F2 F3 80.4(6) 2_556 .
F1 B1 F2 F3 -99.6(6) . .
F3 B1 F2 F3 180.000(3) . 2_556
F4 B1 F2 F3 -57.9(12) 2_556 2_556
F4 B1 F2 F3 122.1(12) . 2_556
F1 B1 F2 F3 -99.6(6) 2_556 2_556
F1 B1 F2 F3 80.4(6) . 2_556
F2 B1 F3 F4 -128.5(12) . .
F3 B1 F3 F4 -128.5(12) 2_556 .
F4 B1 F3 F4 109(2) 2_556 .
F1 B1 F3 F4 117.2(13) 2_556 .
F1 B1 F3 F4 -16.3(13) . .
F3 B1 F3 F2 0.001(8) 2_556 .
F4 B1 F3 F2 -122.2(14) 2_556 .
F4 B1 F3 F2 128.5(12) . .
F1 B1 F3 F2 -114.3(6) 2_556 .
F1 B1 F3 F2 112.2(6) . .
F3 F2 F3 B1 0.000(2) 2_556 .
B1 F2 F3 F4 40.7(10) . .
F3 F2 F3 F4 40.7(10) 2_556 .
B1 F1 F4 F3 -27(2) . .
F2 B1 F4 F1 -88.1(18) . .
F3 B1 F4 F1 -153(2) . .
F3 B1 F4 F1 13(2) 2_556 .
F4 B1 F4 F1 91.9(18) 2_556 .
F1 B1 F4 F1 133.4(16) 2_556 .
F2 B1 F4 F3 65.3(11) . .
F3 B1 F4 F3 166.2(13) 2_556 .
F4 B1 F4 F3 -114.7(11) 2_556 .
F1 B1 F4 F3 -73.2(9) 2_556 .
F1 B1 F4 F3 153(2) . .
B1 F3 F4 F1 31(2) . .
F2 F3 F4 F1 -5(3) . .
F2 F3 F4 B1 -36.0(8) . .
