#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:55:43 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179218 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/44/4314441.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_4314441
loop_
_publ_author_name
'Hari Pada Nayek'
'Werner Massa'
'Stefanie Dehnen'
_publ_contact_author
;
Dehnen, S.

Fachbereich Chemie der Philipps-Universitaet
Hans-Meerwein-Str.
D-35043 Marburg, Germany
;
_publ_contact_author_email       dehnen@chemie.uni-marburg.de
_publ_contact_author_fax         +6421-2825653
_publ_contact_author_phone       +6421-2825751
_publ_section_title
;
 Presence or Absence of a Central Se Atom in Silver Selenide/Selenolate
 Clusters with Halite Topology: Syntheses and Properties of
 [(Ph3PAg)8Ag6(μ6-Se)1-x/2(SePh)12]x+ (x= 0, 1)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              144
_journal_page_last               149
_journal_paper_doi               10.1021/ic901629k
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C260 H268 Ag14 O11 P8 Se13'
_chemical_formula_weight         6353.32
_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                 92.257(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   31.7987(9)
_cell_length_b                   22.9837(4)
_cell_length_c                   33.2185(8)
_cell_measurement_reflns_used    36250
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.76
_cell_measurement_theta_min      1.27
_cell_volume                     24259.0(10)
_computing_cell_refinement       'XAREA 1.38 (Stoe 2006)'
_computing_data_collection       'XAREA 1.38 (Stoe 2006)'
_computing_data_reduction        'XAREA 1.38 (Stoe 2006)'
_computing_molecular_graphics    'DIAMOND 3.1d (Crystal Impact 2006)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'IPDS-II (Stoe)'
_diffrn_measurement_method       omega-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  0.18
_diffrn_reflns_av_sigmaI/netI    0.14
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            47148
_diffrn_reflns_theta_full        25.97
_diffrn_reflns_theta_max         25.97
_diffrn_reflns_theta_min         1.27
_exptl_absorpt_coefficient_mu    3.163
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.724
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             12416
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.211
_refine_diff_density_min         -1.419
_refine_diff_density_rms         0.168
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.749
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2724
_refine_ls_number_reflns         47148
_refine_ls_number_restraints     84
_refine_ls_restrained_S_all      0.749
_refine_ls_R_factor_all          0.2193
_refine_ls_R_factor_gt           0.0743
_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)+(0.0262P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1252
_refine_ls_wR_factor_ref         0.1625
_reflns_number_gt                15371
_reflns_number_total             47148
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901629k_si_002.cif
_cod_data_source_block           hp24a
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4314441
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.26191(4) 0.44519(5) 0.70592(3) 0.0375(3) Uani 1 1 d . . .
Ag2 Ag 0.13916(4) 0.40677(5) 0.78851(4) 0.0438(3) Uani 1 1 d . . .
Ag3 Ag 0.23031(4) 0.34094(5) 0.90014(4) 0.0406(3) Uani 1 1 d . . .
Ag4 Ag 0.36167(4) 0.38269(5) 0.81757(4) 0.0377(3) Uani 1 1 d . . .
Ag5 Ag 0.26130(4) 0.38236(5) 0.81714(4) 0.0415(3) Uani 1 1 d . . .
Ag6A Ag 0.21314(5) 0.53497(6) 0.76390(5) 0.0378(4) Uani 0.7863(17) 1 d P . .
Ag6B Ag 0.1879(2) 0.5216(2) 0.77978(18) 0.0378(4) Uani 0.2137(17) 1 d P . .
Ag7 Ag 0.18668(4) 0.50236(5) 0.88562(4) 0.0382(3) Uani 1 1 d . . .
Ag8 Ag 0.31833(4) 0.47323(5) 0.87685(4) 0.0369(3) Uani 1 1 d . . .
Ag9 Ag 0.30976(4) 0.54777(5) 0.79743(4) 0.0366(3) Uani 1 1 d . . .
Ag10 Ag 0.25592(4) 0.65331(5) 0.75796(4) 0.0438(3) Uani 1 1 d . . .
Ag11 Ag 0.13945(4) 0.60313(5) 0.84786(4) 0.0419(3) Uani 1 1 d . . .
Ag12 Ag 0.23919(4) 0.53611(5) 0.95916(4) 0.0383(3) Uani 1 1 d . . .
Ag13 Ag 0.36881(4) 0.59561(5) 0.87014(3) 0.0358(3) Uani 1 1 d . . .
Ag14 Ag 0.26611(4) 0.59349(5) 0.87264(3) 0.0376(3) Uani 1 1 d . . .
Se1 Se 0.24708(5) 0.49357(6) 0.83187(5) 0.0345(4) Uani 1 1 d . . .
Se2 Se 0.21150(5) 0.38119(7) 0.75207(5) 0.0405(4) Uani 1 1 d . . .
Se3 Se 0.16484(5) 0.39639(7) 0.86690(5) 0.0389(4) Uani 1 1 d . . .
Se4 Se 0.30425(5) 0.31811(7) 0.86560(5) 0.0399(4) Uani 1 1 d . . .
Se5 Se 0.33036(5) 0.45116(6) 0.75793(4) 0.0349(4) Uani 1 1 d . . .
Se6A Se 0.25148(7) 0.56473(9) 0.70210(7) 0.0400(5) Uani 0.7863(17) 1 d P . .
Se6B Se 0.2358(3) 0.5513(4) 0.7214(3) 0.0400(5) Uani 0.2137(17) 1 d P . .
Se7A Se 0.13750(7) 0.52387(9) 0.79112(6) 0.0377(5) Uani 0.7863(17) 1 d P . .
Se7B Se 0.1117(3) 0.5142(3) 0.7997(2) 0.0377(5) Uani 0.2137(17) 1 d P . .
Se8 Se 0.27195(5) 0.43876(7) 0.93573(5) 0.0342(4) Uani 1 1 d . . .
Se9 Se 0.39346(5) 0.48425(6) 0.85305(5) 0.0349(4) Uani 1 1 d . . .
Se10 Se 0.21340(5) 0.65237(7) 0.82520(5) 0.0368(4) Uani 1 1 d . . .
Se11 Se 0.17222(5) 0.59432(7) 0.92542(5) 0.0388(4) Uani 1 1 d . . .
Se12 Se 0.31711(5) 0.60313(7) 0.93344(4) 0.0365(4) Uani 1 1 d . . .
Se13 Se 0.33580(5) 0.65272(7) 0.80365(5) 0.0380(4) Uani 1 1 d . . .
P1 P 0.27346(14) 0.41314(17) 0.63542(12) 0.0388(10) Uani 1 1 d . . .
P2 P 0.07304(15) 0.35913(19) 0.76757(15) 0.0492(12) Uani 1 1 d . . .
P3 P 0.21722(14) 0.26222(18) 0.94838(14) 0.0414(11) Uani 1 1 d . . .
P4 P 0.41812(13) 0.30581(17) 0.81930(12) 0.0346(10) Uani 1 1 d . . .
P5 P 0.26601(16) 0.74419(18) 0.71927(13) 0.0429(11) Uani 1 1 d . . .
P6 P 0.07995(14) 0.67081(18) 0.85237(14) 0.0434(11) Uani 1 1 d . . .
P7 P 0.24024(14) 0.57288(18) 1.02931(12) 0.0384(10) Uani 1 1 d . . .
P8 P 0.43988(14) 0.64390(18) 0.88664(12) 0.0373(10) Uani 1 1 d . . .
O1 O 0.5707(5) 0.4744(5) 0.7217(5) 0.083(5) Uani 1 1 d D . .
O2 O 0.2982(5) 0.4177(6) 0.1727(5) 0.089(5) Uani 1 1 d . . .
O3 O 0.4230(7) 0.1830(11) 0.0625(7) 0.157(9) Uani 1 1 d . . .
O4 O 0.9362(8) 0.7607(12) 0.9385(8) 0.146(9) Uani 1 1 d . . .
O5 O 0.5088(7) 0.0645(9) 0.9069(7) 0.135(8) Uani 1 1 d . . .
O6 O 0.1890(12) 0.9007(17) 0.9781(11) 0.232(13) Uani 1 1 d . . .
O7 O 0.0592(10) 0.7539(14) 0.6021(8) 0.196(11) Uani 1 1 d . . .
C1 C 0.2075(5) 0.3074(7) 0.7237(5) 0.041(4) Uani 1 1 d . . .
C2 C 0.1721(6) 0.2807(7) 0.7136(5) 0.051(5) Uani 1 1 d . . .
H2 H 0.1466 0.2974 0.7219 0.061 Uiso 1 1 calc R . .
C3 C 0.1699(5) 0.2296(7) 0.6914(5) 0.043(4) Uani 1 1 d . . .
H3 H 0.1433 0.2148 0.6822 0.051 Uiso 1 1 calc R . .
C4 C 0.2056(8) 0.2006(8) 0.6828(5) 0.063(6) Uani 1 1 d . . .
H4 H 0.2038 0.1639 0.6698 0.076 Uiso 1 1 calc R . .
C5 C 0.2469(8) 0.2255(8) 0.6935(5) 0.064(6) Uani 1 1 d . . .
H5 H 0.2723 0.2069 0.6869 0.077 Uiso 1 1 calc R . .
C6 C 0.2465(6) 0.2768(7) 0.7135(5) 0.049(5) Uani 1 1 d . . .
H6 H 0.2727 0.2941 0.7214 0.059 Uiso 1 1 calc R . .
C7 C 0.1143(6) 0.3721(8) 0.8927(7) 0.070(6) Uani 1 1 d . . .
C8 C 0.0837(5) 0.4190(8) 0.9024(6) 0.061(6) Uani 1 1 d . . .
H8 H 0.0902 0.4587 0.8978 0.073 Uiso 1 1 calc R . .
C9 C 0.0457(6) 0.4034(12) 0.9182(7) 0.089(8) Uani 1 1 d . . .
H9 H 0.0241 0.4312 0.9219 0.106 Uiso 1 1 calc R . .
C10 C 0.0404(7) 0.3429(13) 0.9291(7) 0.092(8) Uani 1 1 d . . .
H10 H 0.0159 0.3318 0.9426 0.110 Uiso 1 1 calc R . .
C11 C 0.0687(8) 0.3020(10) 0.9207(8) 0.089(8) Uani 1 1 d . . .
H11 H 0.0636 0.2624 0.9271 0.107 Uiso 1 1 calc R . .
C12 C 0.1049(6) 0.3173(7) 0.9028(6) 0.056(5) Uani 1 1 d . . .
H12 H 0.1245 0.2875 0.8972 0.067 Uiso 1 1 calc R . .
C13 C 0.2935(5) 0.2408(7) 0.8470(5) 0.037(4) Uani 1 1 d . . .
C14 C 0.3104(6) 0.1945(7) 0.8677(5) 0.053(5) Uani 1 1 d . . .
H14 H 0.3273 0.2032 0.8911 0.064 Uiso 1 1 calc R . .
C15 C 0.3053(6) 0.1355(8) 0.8578(6) 0.057(5) Uani 1 1 d . . .
H15 H 0.3196 0.1049 0.8719 0.068 Uiso 1 1 calc R . .
C16 C 0.2759(8) 0.1260(8) 0.8239(7) 0.079(8) Uani 1 1 d . . .
H16 H 0.2697 0.0874 0.8154 0.095 Uiso 1 1 calc R . .
C17 C 0.2567(6) 0.1718(7) 0.8040(6) 0.058(5) Uani 1 1 d . . .
H17 H 0.2375 0.1640 0.7820 0.070 Uiso 1 1 calc R . .
C18 C 0.2645(5) 0.2275(7) 0.8147(5) 0.039(4) Uani 1 1 d . . .
H18 H 0.2504 0.2581 0.8005 0.047 Uiso 1 1 calc R . .
C19 C 0.3723(6) 0.4636(8) 0.7188(4) 0.049(5) Uani 1 1 d . . .
C20 C 0.4097(7) 0.4295(13) 0.7222(8) 0.128(13) Uani 1 1 d . . .
H20 H 0.4164 0.4064 0.7453 0.154 Uiso 1 1 calc R . .
C21 C 0.4368(8) 0.4325(12) 0.6881(7) 0.097(8) Uani 1 1 d . . .
H21 H 0.4581 0.4039 0.6856 0.116 Uiso 1 1 calc R . .
C22 C 0.4326(6) 0.4756(8) 0.6593(6) 0.063(6) Uani 1 1 d . . .
H22 H 0.4543 0.4839 0.6413 0.076 Uiso 1 1 calc R . .
C23 C 0.3960(6) 0.5051(8) 0.6581(5) 0.061(5) Uani 1 1 d . . .
H23 H 0.3899 0.5301 0.6358 0.074 Uiso 1 1 calc R . .
C24 C 0.3665(5) 0.5006(7) 0.6880(4) 0.037(4) Uani 1 1 d . . .
H24 H 0.3419 0.5241 0.6865 0.045 Uiso 1 1 calc R . .
C25 C 0.2094(5) 0.5703(6) 0.6600(5) 0.042(4) Uani 1 1 d . . .
C26 C 0.2083(7) 0.6186(8) 0.6370(6) 0.069(6) Uani 1 1 d . . .
H26 H 0.2248 0.6511 0.6455 0.082 Uiso 1 1 calc R . .
C27 C 0.1838(10) 0.6231(12) 0.6010(7) 0.112(10) Uani 1 1 d . . .
H27 H 0.1836 0.6580 0.5856 0.134 Uiso 1 1 calc R . .
C28 C 0.1606(10) 0.5771(10) 0.5888(7) 0.103(10) Uani 1 1 d . . .
H28 H 0.1454 0.5781 0.5636 0.124 Uiso 1 1 calc R . .
C29 C 0.1588(6) 0.5280(9) 0.6134(5) 0.062(6) Uani 1 1 d . . .
H29 H 0.1413 0.4961 0.6056 0.074 Uiso 1 1 calc R . .
C30 C 0.1833(5) 0.5259(6) 0.6496(4) 0.041(4) Uani 1 1 d . . .
H30 H 0.1814 0.4931 0.6669 0.050 Uiso 1 1 calc R . .
C31 C 0.0941(5) 0.5446(6) 0.7520(5) 0.043(4) Uani 1 1 d . . .
C32 C 0.1054(5) 0.5685(7) 0.7143(6) 0.053(5) Uani 1 1 d . . .
H32 H 0.1343 0.5762 0.7104 0.064 Uiso 1 1 calc R . .
C33 C 0.0777(6) 0.5806(7) 0.6841(5) 0.050(5) Uani 1 1 d . . .
H33 H 0.0875 0.5925 0.6587 0.060 Uiso 1 1 calc R . .
C34 C 0.0335(6) 0.5759(6) 0.6894(6) 0.056(5) Uani 1 1 d . . .
H34 H 0.0135 0.5842 0.6683 0.067 Uiso 1 1 calc R . .
C35 C 0.0214(6) 0.5584(8) 0.7274(6) 0.059(5) Uani 1 1 d . . .
H35 H -0.0076 0.5569 0.7330 0.070 Uiso 1 1 calc R . .
C36 C 0.0513(6) 0.5430(6) 0.7575(5) 0.046(4) Uani 1 1 d . . .
H36 H 0.0417 0.5309 0.7829 0.055 Uiso 1 1 calc R . .
C37 C 0.3038(5) 0.4138(6) 0.9832(5) 0.037(4) Uani 1 1 d . . .
C38 C 0.2863(6) 0.4072(6) 1.0206(5) 0.048(5) Uani 1 1 d . . .
H38 H 0.2571 0.4147 1.0232 0.058 Uiso 1 1 calc R . .
C39 C 0.3094(6) 0.3906(8) 1.0530(5) 0.054(5) Uani 1 1 d . . .
H39 H 0.2961 0.3885 1.0780 0.064 Uiso 1 1 calc R . .
C40 C 0.3512(6) 0.3766(8) 1.0525(6) 0.062(5) Uani 1 1 d . . .
H40 H 0.3668 0.3629 1.0755 0.075 Uiso 1 1 calc R . .
C41 C 0.3688(7) 0.3842(7) 1.0150(6) 0.059(5) Uani 1 1 d . . .
H41 H 0.3983 0.3778 1.0134 0.071 Uiso 1 1 calc R . .
C42 C 0.3479(5) 0.3994(7) 0.9818(5) 0.048(5) Uani 1 1 d . . .
H42 H 0.3617 0.4010 0.9570 0.058 Uiso 1 1 calc R . .
C43 C 0.4288(6) 0.4678(7) 0.8998(4) 0.045(4) Uani 1 1 d . . .
C44 C 0.4198(5) 0.4869(6) 0.9381(5) 0.036(4) Uani 1 1 d . . .
H44 H 0.3953 0.5095 0.9422 0.043 Uiso 1 1 calc R . .
C45 C 0.4467(5) 0.4731(7) 0.9706(5) 0.046(4) Uani 1 1 d . . .
H45 H 0.4398 0.4846 0.9969 0.055 Uiso 1 1 calc R . .
C46 C 0.4842(5) 0.4421(7) 0.9649(5) 0.040(4) Uani 1 1 d . . .
H46 H 0.5028 0.4332 0.9871 0.048 Uiso 1 1 calc R . .
C47 C 0.4936(5) 0.4246(7) 0.9257(5) 0.039(4) Uani 1 1 d . . .
H47 H 0.5185 0.4031 0.9214 0.046 Uiso 1 1 calc R . .
C48 C 0.4674(5) 0.4384(7) 0.8943(5) 0.037(4) Uani 1 1 d . . .
H48 H 0.4750 0.4281 0.8678 0.044 Uiso 1 1 calc R . .
C49 C 0.2063(5) 0.7318(7) 0.8368(5) 0.038(4) Uani 1 1 d . . .
C50 C 0.2227(5) 0.7560(7) 0.8740(5) 0.042(4) Uani 1 1 d . . .
H50 H 0.2365 0.7320 0.8937 0.051 Uiso 1 1 calc R . .
C51 C 0.2180(6) 0.8162(8) 0.8805(6) 0.068(6) Uani 1 1 d . . .
H51 H 0.2319 0.8338 0.9032 0.081 Uiso 1 1 calc R . .
C52 C 0.1934(6) 0.8500(8) 0.8545(6) 0.061(5) Uani 1 1 d . . .
H52 H 0.1883 0.8898 0.8605 0.073 Uiso 1 1 calc R . .
C53 C 0.1773(6) 0.8270(7) 0.8216(6) 0.060(5) Uani 1 1 d . . .
H53 H 0.1617 0.8509 0.8031 0.072 Uiso 1 1 calc R . .
C54 C 0.1822(6) 0.7672(8) 0.8128(6) 0.057(5) Uani 1 1 d . . .
H54 H 0.1684 0.7515 0.7894 0.069 Uiso 1 1 calc R . .
C55 C 0.1273(6) 0.5756(8) 0.9617(5) 0.055(5) Uani 1 1 d . . .
C56 C 0.1131(5) 0.5189(7) 0.9692(5) 0.048(5) Uani 1 1 d . . .
H56 H 0.1258 0.4865 0.9568 0.057 Uiso 1 1 calc R . .
C57 C 0.0806(6) 0.5110(9) 0.9948(6) 0.067(6) Uani 1 1 d . . .
H57 H 0.0707 0.4728 1.0000 0.080 Uiso 1 1 calc R . .
C58 C 0.0631(6) 0.5562(9) 1.0121(6) 0.062(6) Uani 1 1 d . . .
H58 H 0.0415 0.5493 1.0305 0.074 Uiso 1 1 calc R . .
C59 C 0.0745(6) 0.6116(11) 1.0051(6) 0.078(7) Uani 1 1 d . . .
H59 H 0.0601 0.6428 1.0173 0.093 Uiso 1 1 calc R . .
C60 C 0.1073(6) 0.6230(7) 0.9801(5) 0.053(5) Uani 1 1 d . . .
H60 H 0.1161 0.6618 0.9753 0.064 Uiso 1 1 calc R . .
C61 C 0.3240(5) 0.6856(8) 0.9449(5) 0.043(4) Uani 1 1 d . . .
C62 C 0.3324(5) 0.7026(9) 0.9845(4) 0.052(5) Uani 1 1 d . . .
H62 H 0.3343 0.6746 1.0056 0.062 Uiso 1 1 calc R . .
C63 C 0.3380(5) 0.7613(9) 0.9928(6) 0.059(6) Uani 1 1 d . . .
H63 H 0.3454 0.7732 1.0195 0.071 Uiso 1 1 calc R . .
C64 C 0.3330(5) 0.8032(6) 0.9626(5) 0.044(4) Uani 1 1 d . . .
H64 H 0.3360 0.8433 0.9690 0.053 Uiso 1 1 calc R . .
C65 C 0.3239(6) 0.7865(8) 0.9246(6) 0.058(5) Uani 1 1 d . . .
H65 H 0.3202 0.8148 0.9039 0.070 Uiso 1 1 calc R . .
C66 C 0.3198(5) 0.7265(6) 0.9151(5) 0.037(4) Uani 1 1 d . . .
H66 H 0.3142 0.7147 0.8880 0.044 Uiso 1 1 calc R . .
C67 C 0.3865(5) 0.6550(8) 0.7727(6) 0.057(5) Uani 1 1 d . . .
C68 C 0.4016(5) 0.6057(9) 0.7548(5) 0.054(5) Uani 1 1 d . . .
H68 H 0.3884 0.5695 0.7597 0.064 Uiso 1 1 calc R . .
C69 C 0.4357(6) 0.6073(8) 0.7300(5) 0.056(5) Uani 1 1 d . . .
H69 H 0.4479 0.5726 0.7201 0.067 Uiso 1 1 calc R . .
C70 C 0.4519(6) 0.6636(8) 0.7197(5) 0.059(5) Uani 1 1 d . . .
H70 H 0.4738 0.6664 0.7012 0.071 Uiso 1 1 calc R . .
C71 C 0.4366(6) 0.7118(9) 0.7356(6) 0.060(5) Uiso 1 1 d . . .
H71 H 0.4491 0.7480 0.7294 0.072 Uiso 1 1 calc R . .
C72 C 0.4028(6) 0.7110(7) 0.7613(5) 0.052(5) Uani 1 1 d . . .
H72 H 0.3909 0.7460 0.7709 0.062 Uiso 1 1 calc R . .
C111 C 0.3029(5) 0.3464(6) 0.6335(5) 0.037(4) Uani 1 1 d . . .
C112 C 0.3347(5) 0.3352(7) 0.6617(5) 0.041(4) Uani 1 1 d . . .
H112 H 0.3399 0.3627 0.6827 0.050 Uiso 1 1 calc R . .
C113 C 0.3594(5) 0.2862(7) 0.6611(5) 0.045(4) Uani 1 1 d . . .
H113 H 0.3817 0.2812 0.6806 0.054 Uiso 1 1 calc R . .
C114 C 0.3517(7) 0.2432(8) 0.6314(6) 0.066(6) Uani 1 1 d . . .
H114 H 0.3674 0.2081 0.6313 0.079 Uiso 1 1 calc R . .
C115 C 0.3202(7) 0.2546(7) 0.6026(6) 0.061(6) Uani 1 1 d . . .
H115 H 0.3153 0.2274 0.5814 0.074 Uiso 1 1 calc R . .
C116 C 0.2962(6) 0.3026(7) 0.6036(5) 0.053(5) Uani 1 1 d . . .
H116 H 0.2742 0.3075 0.5838 0.063 Uiso 1 1 calc R . .
C121 C 0.3023(6) 0.4594(6) 0.6019(5) 0.046(4) Uani 1 1 d . . .
C122 C 0.3349(6) 0.4427(8) 0.5792(5) 0.056(5) Uani 1 1 d . . .
H122 H 0.3445 0.4036 0.5802 0.067 Uiso 1 1 calc R . .
C123 C 0.3540(6) 0.4825(8) 0.5546(6) 0.062(5) Uani 1 1 d . . .
H123 H 0.3773 0.4688 0.5402 0.074 Uiso 1 1 calc R . .
C124 C 0.3433(6) 0.5384(8) 0.5491(6) 0.063(5) Uani 1 1 d . . .
H124 H 0.3574 0.5642 0.5318 0.075 Uiso 1 1 calc R . .
C125 C 0.3106(7) 0.5535(8) 0.5704(6) 0.069(6) Uani 1 1 d . . .
H125 H 0.3005 0.5922 0.5674 0.083 Uiso 1 1 calc R . .
C126 C 0.2901(6) 0.5174(7) 0.5968(5) 0.052(5) Uani 1 1 d . . .
H126 H 0.2675 0.5323 0.6116 0.063 Uiso 1 1 calc R . .
C131 C 0.2244(5) 0.3976(6) 0.6065(5) 0.042(4) Uani 1 1 d . . .
C132 C 0.2166(7) 0.4092(9) 0.5647(5) 0.064(6) Uani 1 1 d . . .
H132 H 0.2377 0.4278 0.5499 0.077 Uiso 1 1 calc R . .
C133 C 0.1799(6) 0.3946(9) 0.5455(6) 0.065(6) Uani 1 1 d . . .
H133 H 0.1749 0.4043 0.5180 0.078 Uiso 1 1 calc R . .
C134 C 0.1503(6) 0.3660(9) 0.5658(6) 0.059(5) Uani 1 1 d . . .
H134 H 0.1247 0.3549 0.5521 0.071 Uiso 1 1 calc R . .
C135 C 0.1565(5) 0.3525(8) 0.6065(5) 0.049(5) Uani 1 1 d . . .
H135 H 0.1354 0.3329 0.6207 0.059 Uiso 1 1 calc R . .
C136 C 0.1934(5) 0.3678(7) 0.6251(5) 0.044(4) Uani 1 1 d . . .
H136 H 0.1980 0.3574 0.6526 0.053 Uiso 1 1 calc R . .
C211 C 0.1100(6) 0.2566(8) 0.7946(5) 0.050(5) Uani 1 1 d . . .
H211 H 0.1349 0.2792 0.7980 0.061 Uiso 1 1 calc R . .
C212 C 0.1100(8) 0.1938(9) 0.8056(6) 0.080(7) Uani 1 1 d . . .
H212 H 0.1349 0.1747 0.8152 0.096 Uiso 1 1 calc R . .
C213 C 0.0731(8) 0.1657(8) 0.8012(6) 0.073(7) Uani 1 1 d . . .
H213 H 0.0721 0.1262 0.8095 0.088 Uiso 1 1 calc R . .
C214 C 0.0340(7) 0.1922(9) 0.7842(6) 0.073(6) Uani 1 1 d . . .
H214 H 0.0091 0.1703 0.7787 0.088 Uiso 1 1 calc R . .
C215 C 0.0365(6) 0.2498(8) 0.7772(6) 0.066(6) Uani 1 1 d . . .
H215 H 0.0110 0.2696 0.7703 0.079 Uiso 1 1 calc R . .
C216 C 0.0722(6) 0.2820(8) 0.7791(5) 0.054(5) Uani 1 1 d . . .
C221 C 0.0226(5) 0.3862(9) 0.7856(7) 0.061(5) Uani 1 1 d . . .
C222 C 0.0141(5) 0.3666(8) 0.8252(7) 0.064(6) Uani 1 1 d . . .
H222 H 0.0328 0.3428 0.8409 0.077 Uiso 1 1 calc R . .
C223 C -0.0264(7) 0.3869(10) 0.8390(6) 0.075(6) Uani 1 1 d . . .
H223 H -0.0352 0.3738 0.8644 0.090 Uiso 1 1 calc R . .
C224 C -0.0523(6) 0.4236(8) 0.8172(7) 0.058(5) Uani 1 1 d . . .
H224 H -0.0776 0.4376 0.8280 0.070 Uiso 1 1 calc R . .
C225 C -0.0409(7) 0.4401(7) 0.7788(6) 0.055(5) Uani 1 1 d . . .
H225 H -0.0590 0.4654 0.7634 0.067 Uiso 1 1 calc R . .
C226 C -0.0052(6) 0.4215(7) 0.7627(6) 0.056(5) Uani 1 1 d . . .
H226 H 0.0012 0.4322 0.7360 0.068 Uiso 1 1 calc R . .
C231 C 0.0627(5) 0.3617(7) 0.7127(5) 0.039(4) Uani 1 1 d . . .
C232 C 0.0418(7) 0.3207(11) 0.6894(7) 0.090(8) Uani 1 1 d . . .
H232 H 0.0317 0.2862 0.7015 0.108 Uiso 1 1 calc R . .
C233 C 0.0353(6) 0.3295(11) 0.6481(7) 0.084(7) Uani 1 1 d . . .
H233 H 0.0218 0.3003 0.6320 0.100 Uiso 1 1 calc R . .
C234 C 0.0485(6) 0.3804(10) 0.6304(6) 0.062(5) Uani 1 1 d . . .
H234 H 0.0439 0.3858 0.6022 0.074 Uiso 1 1 calc R . .
C235 C 0.0677(7) 0.4221(9) 0.6521(7) 0.066(6) Uani 1 1 d . . .
H235 H 0.0747 0.4578 0.6396 0.079 Uiso 1 1 calc R . .
C236 C 0.0775(6) 0.4139(8) 0.6931(6) 0.062(5) Uani 1 1 d . . .
H236 H 0.0937 0.4420 0.7079 0.075 Uiso 1 1 calc R . .
C311 C 0.2624(5) 0.2201(7) 0.9648(4) 0.036(4) Uani 1 1 d . . .
C312 C 0.2969(6) 0.2487(7) 0.9768(5) 0.045(5) Uani 1 1 d . . .
H312 H 0.2972 0.2899 0.9747 0.054 Uiso 1 1 calc R . .
C313 C 0.3334(6) 0.2203(7) 0.9928(5) 0.049(5) Uani 1 1 d . . .
H313 H 0.3573 0.2425 1.0012 0.058 Uiso 1 1 calc R . .
C314 C 0.3342(6) 0.1598(8) 0.9961(5) 0.051(5) Uani 1 1 d . . .
H314 H 0.3584 0.1399 1.0066 0.061 Uiso 1 1 calc R . .
C315 C 0.2995(6) 0.1311(7) 0.9839(5) 0.046(5) Uani 1 1 d . . .
H315 H 0.2996 0.0898 0.9851 0.056 Uiso 1 1 calc R . .
C316 C 0.2631(6) 0.1594(7) 0.9695(5) 0.050(5) Uani 1 1 d . . .
H316 H 0.2386 0.1373 0.9628 0.060 Uiso 1 1 calc R . .
C321 C 0.1807(6) 0.2059(8) 0.9332(5) 0.050(5) Uani 1 1 d . . .
C322 C 0.1446(6) 0.1905(8) 0.9552(6) 0.065(6) Uani 1 1 d . . .
H322 H 0.1387 0.2131 0.9782 0.078 Uiso 1 1 calc R . .
C323 C 0.1170(7) 0.1439(10) 0.9449(8) 0.090(8) Uani 1 1 d . . .
H323 H 0.0934 0.1350 0.9604 0.108 Uiso 1 1 calc R . .
C324 C 0.1264(11) 0.1122(11) 0.9114(8) 0.108(10) Uani 1 1 d . . .
H324 H 0.1095 0.0795 0.9038 0.129 Uiso 1 1 calc R . .
C325 C 0.1619(9) 0.1281(9) 0.8875(8) 0.090(8) Uani 1 1 d . . .
H325 H 0.1676 0.1074 0.8635 0.108 Uiso 1 1 calc R . .
C326 C 0.1874(7) 0.1745(9) 0.9003(7) 0.074(6) Uani 1 1 d . . .
H326 H 0.2109 0.1843 0.8848 0.089 Uiso 1 1 calc R . .
C331 C 0.1994(6) 0.2919(7) 0.9945(5) 0.043(4) Uani 1 1 d . . .
C332 C 0.2061(6) 0.2681(8) 1.0325(6) 0.061(5) Uani 1 1 d . . .
H332 H 0.2184 0.2305 1.0343 0.074 Uiso 1 1 calc R . .
C333 C 0.1964(7) 0.2950(8) 1.0675(5) 0.063(6) Uani 1 1 d . . .
H333 H 0.2027 0.2777 1.0930 0.075 Uiso 1 1 calc R . .
C334 C 0.1771(6) 0.3479(9) 1.0640(6) 0.059(5) Uani 1 1 d . . .
H334 H 0.1692 0.3673 1.0878 0.071 Uiso 1 1 calc R . .
C335 C 0.1691(5) 0.3733(7) 1.0290(5) 0.042(4) Uani 1 1 d . . .
H335 H 0.1553 0.4099 1.0281 0.050 Uiso 1 1 calc R . .
C336 C 0.1802(5) 0.3481(7) 0.9946(6) 0.053(5) Uani 1 1 d . . .
H336 H 0.1752 0.3680 0.9698 0.064 Uiso 1 1 calc R . .
C411 C 0.4735(5) 0.3229(7) 0.8196(4) 0.042(4) Uani 1 1 d . . .
C412 C 0.5040(5) 0.2991(7) 0.8453(5) 0.041(4) Uani 1 1 d . . .
H412 H 0.4962 0.2689 0.8629 0.049 Uiso 1 1 calc R . .
C413 C 0.5449(5) 0.3171(8) 0.8465(5) 0.050(5) Uani 1 1 d . . .
H413 H 0.5644 0.3006 0.8657 0.060 Uiso 1 1 calc R . .
C414 C 0.5584(6) 0.3594(7) 0.8199(5) 0.048(5) Uani 1 1 d . . .
H414 H 0.5866 0.3729 0.8214 0.057 Uiso 1 1 calc R . .
C415 C 0.5307(5) 0.3809(7) 0.7918(5) 0.049(5) Uani 1 1 d . . .
H415 H 0.5402 0.4063 0.7715 0.058 Uiso 1 1 calc R . .
C416 C 0.4877(6) 0.3658(7) 0.7923(6) 0.057(5) Uani 1 1 d . . .
H416 H 0.4681 0.3845 0.7743 0.069 Uiso 1 1 calc R . .
C421 C 0.4096(5) 0.2538(7) 0.7801(4) 0.036(4) Uani 1 1 d . . .
C422 C 0.4414(6) 0.2245(7) 0.7604(5) 0.052(5) Uani 1 1 d . . .
H422 H 0.4699 0.2354 0.7654 0.062 Uiso 1 1 calc R . .
C423 C 0.4316(6) 0.1786(7) 0.7329(5) 0.047(5) Uani 1 1 d . . .
H423 H 0.4538 0.1579 0.7210 0.057 Uiso 1 1 calc R . .
C424 C 0.3913(6) 0.1639(6) 0.7233(4) 0.040(4) Uani 1 1 d . . .
H424 H 0.3849 0.1345 0.7039 0.047 Uiso 1 1 calc R . .
C425 C 0.3589(6) 0.1932(7) 0.7427(5) 0.053(5) Uani 1 1 d . . .
H425 H 0.3303 0.1827 0.7373 0.064 Uiso 1 1 calc R . .
C426 C 0.3688(5) 0.2365(6) 0.7691(4) 0.037(4) Uani 1 1 d . . .
H426 H 0.3463 0.2565 0.7809 0.044 Uiso 1 1 calc R . .
C431 C 0.4157(5) 0.2616(7) 0.8663(5) 0.039(4) Uani 1 1 d . . .
C432 C 0.4210(5) 0.2032(7) 0.8679(4) 0.039(4) Uani 1 1 d . . .
H432 H 0.4223 0.1813 0.8437 0.047 Uiso 1 1 calc R . .
C433 C 0.4245(5) 0.1755(7) 0.9048(5) 0.042(4) Uani 1 1 d . . .
H433 H 0.4281 0.1345 0.9057 0.051 Uiso 1 1 calc R . .
C434 C 0.4228(5) 0.2050(8) 0.9389(6) 0.055(5) Uani 1 1 d . . .
H434 H 0.4234 0.1852 0.9640 0.066 Uiso 1 1 calc R . .
C435 C 0.4202(5) 0.2662(8) 0.9374(5) 0.040(4) Uani 1 1 d . . .
H435 H 0.4219 0.2881 0.9617 0.047 Uiso 1 1 calc R . .
C436 C 0.4154(5) 0.2935(8) 0.9021(5) 0.047(5) Uani 1 1 d . . .
H436 H 0.4118 0.3345 0.9013 0.057 Uiso 1 1 calc R . .
C511 C 0.2965(5) 0.7986(7) 0.7450(5) 0.047(4) Uani 1 1 d . . .
C512 C 0.2836(7) 0.8151(7) 0.7846(5) 0.060(6) Uani 1 1 d . . .
H512 H 0.2604 0.7968 0.7966 0.072 Uiso 1 1 calc R . .
C513 C 0.3061(6) 0.8580(8) 0.8041(5) 0.057(5) Uani 1 1 d . . .
H513 H 0.2966 0.8685 0.8298 0.069 Uiso 1 1 calc R . .
C514 C 0.3419(6) 0.8890(10) 0.7910(7) 0.079(7) Uani 1 1 d . . .
H514 H 0.3564 0.9179 0.8066 0.095 Uiso 1 1 calc R . .
C515 C 0.3526(7) 0.8725(7) 0.7543(6) 0.067(6) Uani 1 1 d . . .
H515 H 0.3751 0.8925 0.7423 0.080 Uiso 1 1 calc R . .
C516 C 0.3328(6) 0.8275(7) 0.7324(5) 0.055(5) Uani 1 1 d . . .
H516 H 0.3445 0.8158 0.7078 0.066 Uiso 1 1 calc R . .
C521 C 0.2229(7) 0.7864(8) 0.6995(5) 0.050(5) Uani 1 1 d . . .
C522 C 0.1868(7) 0.7540(11) 0.6874(6) 0.082(8) Uani 1 1 d . . .
H522 H 0.1858 0.7136 0.6932 0.099 Uiso 1 1 calc R . .
C523 C 0.1525(6) 0.7810(10) 0.6670(6) 0.064(6) Uani 1 1 d . . .
H523 H 0.1283 0.7589 0.6589 0.077 Uiso 1 1 calc R . .
C524 C 0.1542(8) 0.8403(11) 0.6590(6) 0.072(6) Uani 1 1 d . . .
H524 H 0.1305 0.8582 0.6458 0.087 Uiso 1 1 calc R . .
C525 C 0.1862(8) 0.8721(9) 0.6685(5) 0.070(7) Uani 1 1 d . . .
H525 H 0.1870 0.9123 0.6618 0.084 Uiso 1 1 calc R . .
C526 C 0.2206(9) 0.8440(10) 0.6897(6) 0.090(8) Uani 1 1 d . . .
H526 H 0.2439 0.8677 0.6978 0.108 Uiso 1 1 calc R . .
C531 C 0.2948(5) 0.7300(7) 0.6739(5) 0.042(4) Uani 1 1 d . . .
C532 C 0.3309(6) 0.6933(7) 0.6783(6) 0.053(5) Uani 1 1 d . . .
H532 H 0.3400 0.6808 0.7045 0.064 Uiso 1 1 calc R . .
C533 C 0.3530(7) 0.6753(9) 0.6454(5) 0.070(6) Uani 1 1 d . . .
H533 H 0.3754 0.6481 0.6486 0.084 Uiso 1 1 calc R . .
C534 C 0.3420(6) 0.6977(7) 0.6080(5) 0.053(5) Uani 1 1 d . . .
H534 H 0.3586 0.6895 0.5856 0.063 Uiso 1 1 calc R . .
C535 C 0.3053(6) 0.7333(9) 0.6032(5) 0.059(5) Uani 1 1 d . . .
H535 H 0.2962 0.7464 0.5772 0.071 Uiso 1 1 calc R . .
C536 C 0.2841(6) 0.7480(7) 0.6348(5) 0.046(4) Uani 1 1 d . . .
H536 H 0.2601 0.7722 0.6308 0.055 Uiso 1 1 calc R . .
C611 C 0.0788(6) 0.7211(7) 0.8943(5) 0.048(5) Uani 1 1 d . . .
C612 C 0.1169(5) 0.7475(7) 0.9067(5) 0.044(4) Uani 1 1 d . . .
H612 H 0.1423 0.7383 0.8939 0.053 Uiso 1 1 calc R . .
C613 C 0.1168(5) 0.7877(9) 0.9382(6) 0.062(6) Uani 1 1 d . . .
H613 H 0.1426 0.8061 0.9461 0.075 Uiso 1 1 calc R . .
C614 C 0.0818(6) 0.8022(9) 0.9583(6) 0.065(6) Uani 1 1 d . . .
H614 H 0.0827 0.8320 0.9781 0.078 Uiso 1 1 calc R . .
C615 C 0.0429(6) 0.7707(9) 0.9485(7) 0.081(8) Uani 1 1 d . . .
H615 H 0.0182 0.7770 0.9630 0.097 Uiso 1 1 calc R . .
C616 C 0.0438(6) 0.7333(9) 0.9189(7) 0.073(7) Uani 1 1 d . . .
H616 H 0.0187 0.7120 0.9131 0.088 Uiso 1 1 calc R . .
C621 C 0.0773(5) 0.7208(6) 0.8100(6) 0.042(4) Uani 1 1 d . . .
C622 C 0.0702(6) 0.7792(8) 0.8128(5) 0.057(5) Uani 1 1 d . . .
H622 H 0.0653 0.7959 0.8383 0.068 Uiso 1 1 calc R . .
C623 C 0.0700(6) 0.8141(7) 0.7795(6) 0.052(5) Uani 1 1 d . . .
H623 H 0.0649 0.8547 0.7821 0.063 Uiso 1 1 calc R . .
C624 C 0.0772(6) 0.7905(8) 0.7424(6) 0.060(5) Uani 1 1 d . . .
H624 H 0.0779 0.8144 0.7191 0.072 Uiso 1 1 calc R . .
C625 C 0.0832(5) 0.7325(7) 0.7398(6) 0.054(5) Uani 1 1 d . . .
H625 H 0.0874 0.7156 0.7141 0.065 Uiso 1 1 calc R . .
C626 C 0.0835(6) 0.6969(8) 0.7732(6) 0.053(5) Uani 1 1 d . . .
H626 H 0.0880 0.6562 0.7706 0.064 Uiso 1 1 calc R . .
C631 C 0.0277(6) 0.6337(7) 0.8473(6) 0.054(5) Uani 1 1 d . . .
C632 C -0.0055(6) 0.6520(9) 0.8240(6) 0.061(5) Uani 1 1 d . . .
H632 H -0.0042 0.6883 0.8105 0.073 Uiso 1 1 calc R . .
C633 C -0.0397(6) 0.6194(8) 0.8199(7) 0.063(6) Uani 1 1 d . . .
H633 H -0.0612 0.6328 0.8015 0.076 Uiso 1 1 calc R . .
C634 C -0.0468(7) 0.5703(10) 0.8389(7) 0.077(7) Uani 1 1 d . . .
H634 H -0.0727 0.5498 0.8357 0.093 Uiso 1 1 calc R . .
C635 C -0.0142(7) 0.5508(10) 0.8635(10) 0.120(11) Uani 1 1 d . . .
H635 H -0.0173 0.5150 0.8773 0.144 Uiso 1 1 calc R . .
C636 C 0.0244(6) 0.5826(8) 0.8692(7) 0.069(6) Uani 1 1 d . . .
H636 H 0.0466 0.5694 0.8870 0.083 Uiso 1 1 calc R . .
C711 C 0.2209(4) 0.6480(7) 1.0298(4) 0.032(4) Uani 1 1 d . . .
C712 C 0.2278(4) 0.6833(6) 0.9971(5) 0.037(4) Uani 1 1 d . . .
H712 H 0.2431 0.6683 0.9754 0.044 Uiso 1 1 calc R . .
C713 C 0.2131(6) 0.7396(7) 0.9949(6) 0.056(5) Uani 1 1 d . . .
H713 H 0.2171 0.7622 0.9714 0.067 Uiso 1 1 calc R . .
C714 C 0.1931(8) 0.7626(8) 1.0262(6) 0.079(7) Uani 1 1 d . . .
H714 H 0.1853 0.8024 1.0251 0.094 Uiso 1 1 calc R . .
C715 C 0.1833(6) 0.7299(7) 1.0608(6) 0.060(5) Uani 1 1 d . . .
H715 H 0.1673 0.7451 1.0819 0.072 Uiso 1 1 calc R . .
C716 C 0.1995(5) 0.6728(7) 1.0610(5) 0.042(4) Uani 1 1 d . . .
H716 H 0.1954 0.6497 1.0843 0.051 Uiso 1 1 calc R . .
C721 C 0.2929(5) 0.5795(6) 1.0533(4) 0.038(4) Uani 1 1 d . . .
C722 C 0.3259(5) 0.5457(6) 1.0377(5) 0.035(4) Uani 1 1 d . . .
H722 H 0.3205 0.5212 1.0151 0.042 Uiso 1 1 calc R . .
C723 C 0.3665(5) 0.5481(6) 1.0555(4) 0.035(4) Uani 1 1 d . . .
H723 H 0.3886 0.5257 1.0450 0.041 Uiso 1 1 calc R . .
C724 C 0.3736(5) 0.5836(6) 1.0885(5) 0.037(4) Uani 1 1 d . . .
H724 H 0.4011 0.5846 1.1007 0.044 Uiso 1 1 calc R . .
C725 C 0.3419(6) 0.6188(8) 1.1052(5) 0.051(5) Uani 1 1 d . . .
H725 H 0.3475 0.6438 1.1275 0.061 Uiso 1 1 calc R . .
C726 C 0.3020(5) 0.6141(7) 1.0866(4) 0.041(4) Uani 1 1 d . . .
H726 H 0.2797 0.6359 1.0974 0.049 Uiso 1 1 calc R . .
C731 C 0.2092(5) 0.5379(7) 1.0673(5) 0.039(4) Uani 1 1 d . . .
C732 C 0.1655(6) 0.5400(8) 1.0666(5) 0.055(5) Uani 1 1 d . . .
H732 H 0.1516 0.5625 1.0461 0.066 Uiso 1 1 calc R . .
C733 C 0.1410(5) 0.5110(7) 1.0941(5) 0.044(4) Uani 1 1 d . . .
H733 H 0.1111 0.5125 1.0916 0.052 Uiso 1 1 calc R . .
C734 C 0.1600(6) 0.4815(10) 1.1237(6) 0.068(6) Uani 1 1 d . . .
H734 H 0.1434 0.4648 1.1438 0.082 Uiso 1 1 calc R . .
C735 C 0.2031(7) 0.4741(7) 1.1264(5) 0.059(5) Uani 1 1 d . . .
H735 H 0.2156 0.4504 1.1470 0.071 Uiso 1 1 calc R . .
C736 C 0.2298(7) 0.5042(8) 1.0965(5) 0.062(5) Uani 1 1 d . . .
H736 H 0.2596 0.5003 1.0976 0.074 Uiso 1 1 calc R . .
C811 C 0.4520(5) 0.6673(7) 0.9384(4) 0.036(4) Uani 1 1 d . . .
C812 C 0.4826(6) 0.7087(7) 0.9484(5) 0.051(5) Uani 1 1 d . . .
H812 H 0.4982 0.7255 0.9275 0.061 Uiso 1 1 calc R . .
C813 C 0.4909(6) 0.7259(8) 0.9873(5) 0.056(5) Uani 1 1 d . . .
H813 H 0.5125 0.7536 0.9929 0.068 Uiso 1 1 calc R . .
C814 C 0.4680(6) 0.7035(9) 1.0193(6) 0.065(6) Uani 1 1 d . . .
H814 H 0.4732 0.7166 1.0462 0.078 Uiso 1 1 calc R . .
C815 C 0.4382(6) 0.6620(8) 1.0103(5) 0.051(5) Uani 1 1 d . . .
H815 H 0.4233 0.6448 1.0315 0.061 Uiso 1 1 calc R . .
C816 C 0.4294(4) 0.6447(6) 0.9710(5) 0.037(4) Uani 1 1 d . . .
H816 H 0.4077 0.6170 0.9657 0.045 Uiso 1 1 calc R . .
C821 C 0.4475(5) 0.7138(6) 0.8606(4) 0.036(4) Uani 1 1 d . . .
C822 C 0.4837(6) 0.7263(7) 0.8373(5) 0.050(5) Uani 1 1 d . . .
H822 H 0.5041 0.6963 0.8350 0.060 Uiso 1 1 calc R . .
C823 C 0.4908(6) 0.7771(8) 0.8187(5) 0.055(5) Uani 1 1 d . . .
H823 H 0.5158 0.7841 0.8047 0.066 Uiso 1 1 calc R . .
C824 C 0.4578(5) 0.8210(7) 0.8215(5) 0.043(4) Uani 1 1 d . . .
H824 H 0.4599 0.8573 0.8082 0.051 Uiso 1 1 calc R . .
C825 C 0.4228(6) 0.8079(7) 0.8444(5) 0.045(4) Uani 1 1 d . . .
H825 H 0.4018 0.8370 0.8473 0.055 Uiso 1 1 calc R . .
C826 C 0.4176(6) 0.7557(7) 0.8623(5) 0.050(5) Uani 1 1 d . . .
H826 H 0.3927 0.7483 0.8763 0.060 Uiso 1 1 calc R . .
C831 C 0.4857(5) 0.5976(7) 0.8742(5) 0.041(4) Uani 1 1 d . . .
C832 C 0.5187(5) 0.5873(7) 0.8987(5) 0.048(5) Uani 1 1 d . . .
H832 H 0.5208 0.6040 0.9249 0.058 Uiso 1 1 calc R . .
C833 C 0.5508(5) 0.5507(8) 0.8847(6) 0.056(5) Uani 1 1 d . . .
H833 H 0.5735 0.5410 0.9029 0.067 Uiso 1 1 calc R . .
C834 C 0.5508(6) 0.5288(8) 0.8468(6) 0.054(5) Uani 1 1 d . . .
H834 H 0.5741 0.5079 0.8371 0.065 Uiso 1 1 calc R . .
C835 C 0.5146(5) 0.5388(8) 0.8230(5) 0.050(4) Uani 1 1 d . . .
H835 H 0.5115 0.5198 0.7976 0.060 Uiso 1 1 calc R . .
C836 C 0.4831(5) 0.5754(7) 0.8348(5) 0.047(4) Uani 1 1 d . . .
H836 H 0.4603 0.5853 0.8168 0.057 Uiso 1 1 calc R . .
C4E C 0.0288(10) 0.7168(13) 0.6239(8) 0.114(11) Uani 1 1 d . . .
H4E1 H 0.0049 0.7409 0.6324 0.136 Uiso 1 1 calc R . .
H4E2 H 0.0430 0.7001 0.6483 0.136 Uiso 1 1 calc R . .
C701 C 0.0673(12) 0.7181(18) 0.5700(9) 0.168(17) Uani 1 1 d . . .
H70A H 0.0872 0.6868 0.5783 0.202 Uiso 1 1 calc R . .
H70B H 0.0795 0.7406 0.5479 0.202 Uiso 1 1 calc R . .
C703 C 0.0126(9) 0.6681(14) 0.5965(9) 0.124(11) Uani 1 1 d . . .
H70C H 0.0270 0.6307 0.6027 0.149 Uiso 1 1 calc R . .
H70D H -0.0182 0.6629 0.5979 0.149 Uiso 1 1 calc R . .
C304 C 0.4345(5) 0.1400(8) 0.0340(4) 0.038(4) Uani 1 1 d . . .
H30A H 0.4418 0.1591 0.0085 0.045 Uiso 1 1 calc R . .
H30B H 0.4104 0.1136 0.0283 0.045 Uiso 1 1 calc R . .
C702 C 0.0247(16) 0.6923(17) 0.5564(9) 0.19(2) Uani 1 1 d . . .
H70E H 0.0274 0.6615 0.5358 0.229 Uiso 1 1 calc R . .
H70F H 0.0047 0.7225 0.5462 0.229 Uiso 1 1 calc R . .
C201 C 0.2887(7) 0.4322(10) 0.2127(8) 0.101(10) Uani 1 1 d . . .
H20A H 0.3114 0.4190 0.2317 0.122 Uiso 1 1 calc R . .
H20B H 0.2620 0.4138 0.2201 0.122 Uiso 1 1 calc R . .
C202 C 0.2849(9) 0.4964(10) 0.2136(10) 0.115(11) Uani 1 1 d . . .
H20C H 0.2952 0.5119 0.2400 0.138 Uiso 1 1 calc R . .
H20D H 0.2552 0.5084 0.2089 0.138 Uiso 1 1 calc R . .
C203 C 0.3112(11) 0.5179(11) 0.1809(7) 0.132(14) Uani 1 1 d . . .
H20E H 0.2939 0.5396 0.1605 0.159 Uiso 1 1 calc R . .
H20F H 0.3339 0.5435 0.1917 0.159 Uiso 1 1 calc R . .
C303 C 0.4705(7) 0.1066(11) 0.0500(7) 0.092(7) Uani 1 1 d . . .
H30C H 0.4943 0.1088 0.0317 0.111 Uiso 1 1 calc R . .
H30D H 0.4629 0.0653 0.0538 0.111 Uiso 1 1 calc R . .
C301 C 0.4419(6) 0.1637(11) 0.1013(8) 0.095(8) Uani 1 1 d . . .
H30E H 0.4234 0.1356 0.1146 0.114 Uiso 1 1 calc R . .
H30F H 0.4475 0.1971 0.1195 0.114 Uiso 1 1 calc R . .
C302 C 0.4815(7) 0.1358(11) 0.0900(7) 0.086(7) Uani 1 1 d . . .
H30G H 0.4910 0.1068 0.1105 0.104 Uiso 1 1 calc R . .
H30H H 0.5040 0.1651 0.0871 0.104 Uiso 1 1 calc R . .
C404 C 0.9210(11) 0.718(2) 0.9094(15) 0.17(2) Uani 1 1 d . . .
H40A H 0.9338 0.7249 0.8832 0.205 Uiso 1 1 calc R . .
H40B H 0.8901 0.7213 0.9054 0.205 Uiso 1 1 calc R . .
C403 C 0.9320(8) 0.657(2) 0.9237(10) 0.151(17) Uani 1 1 d . . .
H40C H 0.9552 0.6398 0.9084 0.181 Uiso 1 1 calc R . .
H40D H 0.9073 0.6304 0.9215 0.181 Uiso 1 1 calc R . .
C402 C 0.9461(9) 0.6680(13) 0.9691(10) 0.124(12) Uani 1 1 d . . .
H40E H 0.9294 0.6442 0.9875 0.148 Uiso 1 1 calc R . .
H40F H 0.9763 0.6591 0.9739 0.148 Uiso 1 1 calc R . .
C401 C 0.9379(15) 0.7293(16) 0.9744(10) 0.20(2) Uani 1 1 d . . .
H40G H 0.9108 0.7339 0.9878 0.237 Uiso 1 1 calc R . .
H40H H 0.9603 0.7460 0.9925 0.237 Uiso 1 1 calc R . .
C501 C 0.5270(8) 0.1112(12) 0.8864(10) 0.124(12) Uani 1 1 d . . .
H50A H 0.5052 0.1332 0.8707 0.149 Uiso 1 1 calc R . .
H50B H 0.5480 0.0967 0.8676 0.149 Uiso 1 1 calc R . .
C502 C 0.5466(10) 0.1472(18) 0.9163(13) 0.191(19) Uani 1 1 d . . .
H50C H 0.5338 0.1864 0.9145 0.229 Uiso 1 1 calc R . .
H50D H 0.5768 0.1513 0.9104 0.229 Uiso 1 1 calc R . .
C503 C 0.5437(15) 0.1265(16) 0.9569(11) 0.181(19) Uani 1 1 d . . .
H50E H 0.5715 0.1266 0.9714 0.217 Uiso 1 1 calc R . .
H50F H 0.5235 0.1497 0.9721 0.217 Uiso 1 1 calc R . .
C204 C 0.3281(6) 0.4661(10) 0.1640(6) 0.071(6) Uani 1 1 d . . .
H20G H 0.3563 0.4578 0.1764 0.085 Uiso 1 1 calc R . .
H20H H 0.3307 0.4707 0.1346 0.085 Uiso 1 1 calc R . .
C504 C 0.5289(12) 0.0692(19) 0.9497(12) 0.164(16) Uani 1 1 d . . .
H50G H 0.5079 0.0590 0.9697 0.196 Uiso 1 1 calc R . .
H50H H 0.5526 0.0414 0.9528 0.196 Uiso 1 1 calc R . .
C104 C 0.5966(8) 0.5196(9) 0.7312(5) 0.113(11) Uani 1 1 d D . .
H10A H 0.6233 0.5045 0.7433 0.136 Uiso 1 1 calc R . .
H10B H 0.5833 0.5443 0.7515 0.136 Uiso 1 1 calc R . .
C103 C 0.6056(6) 0.5550(9) 0.6961(6) 0.086(7) Uani 1 1 d D . .
H10C H 0.6271 0.5371 0.6793 0.103 Uiso 1 1 calc R . .
H10D H 0.6140 0.5952 0.7035 0.103 Uiso 1 1 calc R . .
C102 C 0.5627(8) 0.5523(10) 0.6766(9) 0.146(15) Uani 1 1 d D . .
H10E H 0.5434 0.5806 0.6889 0.175 Uiso 1 1 calc R . .
H10F H 0.5633 0.5597 0.6473 0.175 Uiso 1 1 calc R . .
C101 C 0.5505(11) 0.4931(13) 0.6849(11) 0.24(3) Uani 1 1 d D . .
H10G H 0.5196 0.4908 0.6871 0.285 Uiso 1 1 calc R . .
H10H H 0.5587 0.4674 0.6626 0.285 Uiso 1 1 calc R . .
C602 C 0.2119(13) 0.9877(15) 0.9484(13) 0.169(16) Uani 1 1 d U . .
H60A H 0.2155 0.9900 0.9190 0.203 Uiso 1 1 calc R . .
H60B H 0.2097 1.0276 0.9594 0.203 Uiso 1 1 calc R . .
C604 C 0.2347(13) 0.9094(17) 0.9923(12) 0.179(16) Uani 1 1 d U . .
H60C H 0.2371 0.9194 1.0213 0.215 Uiso 1 1 calc R . .
H60D H 0.2519 0.8744 0.9872 0.215 Uiso 1 1 calc R . .
C603 C 0.2463(13) 0.9560(17) 0.9683(12) 0.196(18) Uani 1 1 d U . .
H60E H 0.2649 0.9412 0.9474 0.235 Uiso 1 1 calc R . .
H60F H 0.2630 0.9837 0.9853 0.235 Uiso 1 1 calc R . .
C601 C 0.1747(18) 0.953(2) 0.9575(16) 0.22(2) Uani 1 1 d U . .
H60G H 0.1560 0.9756 0.9749 0.268 Uiso 1 1 calc R . .
H60H H 0.1587 0.9428 0.9323 0.268 Uiso 1 1 calc R . .
O9 O 0.5929(17) 0.9830(17) 0.0494(14) 0.42(4) Uani 1 1 d D . .
C904 C 0.5820(10) 1.039(2) 0.0441(11) 0.21(2) Uani 1 1 d D . .
H90A H 0.5520 1.0422 0.0351 0.252 Uiso 1 1 calc R . .
H90B H 0.5992 1.0572 0.0231 0.252 Uiso 1 1 calc R . .
C903 C 0.5890(17) 1.0700(19) 0.0821(17) 0.52(9) Uani 1 1 d D . .
H90C H 0.5687 1.0584 0.1024 0.622 Uiso 1 1 calc R . .
H90D H 0.5888 1.1128 0.0787 0.622 Uiso 1 1 calc R . .
C902 C 0.6317(15) 1.0468(17) 0.0912(11) 0.45(7) Uani 1 1 d D . .
H90E H 0.6534 1.0721 0.0796 0.540 Uiso 1 1 calc R . .
H90F H 0.6373 1.0436 0.1206 0.540 Uiso 1 1 calc R . .
C901 C 0.6315(12) 0.9903(14) 0.0726(13) 0.172(16) Uani 1 1 d D . .
H90G H 0.6557 0.9867 0.0549 0.207 Uiso 1 1 calc R . .
H90H H 0.6341 0.9597 0.0935 0.207 Uiso 1 1 calc R . .
O8 O 0.8642(7) 0.5117(11) 0.7720(6) 0.165(10) Uani 1 1 d D . .
C801 C 0.8432(11) 0.4720(12) 0.7497(10) 0.19(2) Uani 1 1 d D . .
H80A H 0.8237 0.4515 0.7675 0.233 Uiso 1 1 calc R . .
H80B H 0.8637 0.4430 0.7406 0.233 Uiso 1 1 calc R . .
C802 C 0.8194(15) 0.4922(16) 0.7152(12) 0.27(3) Uani 1 1 d D . .
H80C H 0.7888 0.4862 0.7180 0.322 Uiso 1 1 calc R . .
H80D H 0.8283 0.4733 0.6902 0.322 Uiso 1 1 calc R . .
C803 C 0.831(2) 0.5541(15) 0.7165(11) 0.41(6) Uani 1 1 d D . .
H80E H 0.8521 0.5629 0.6965 0.486 Uiso 1 1 calc R . .
H80F H 0.8056 0.5787 0.7108 0.486 Uiso 1 1 calc R . .
C804 C 0.8474(10) 0.5641(10) 0.7567(9) 0.139(14) Uani 1 1 d D . .
H80G H 0.8696 0.5942 0.7564 0.167 Uiso 1 1 calc R . .
H80H H 0.8248 0.5780 0.7740 0.167 Uiso 1 1 calc R . .
O10 O 0.0611(10) 0.0182(13) 0.8548(10) 0.248(18) Uani 1 1 d D . .
C91 C 0.0672(18) -0.0361(18) 0.8418(8) 0.30(4) Uani 1 1 d D . .
H91A H 0.0884 -0.0355 0.8209 0.360 Uiso 1 1 calc R . .
H91B H 0.0405 -0.0509 0.8293 0.360 Uiso 1 1 calc R . .
C92 C 0.0809(14) -0.0751(11) 0.8732(14) 0.23(3) Uani 1 1 d D . .
H92A H 0.1118 -0.0741 0.8779 0.273 Uiso 1 1 calc R . .
H92B H 0.0716 -0.1155 0.8677 0.273 Uiso 1 1 calc R . .
C93 C 0.0588(11) -0.0491(18) 0.9068(10) 0.22(2) Uani 1 1 d D . .
H93A H 0.0374 -0.0762 0.9167 0.264 Uiso 1 1 calc R . .
H93B H 0.0788 -0.0393 0.9293 0.264 Uiso 1 1 calc R . .
C94 C 0.0394(9) 0.0022(12) 0.8904(10) 0.125(11) Uani 1 1 d D . .
H94A H 0.0413 0.0342 0.9104 0.151 Uiso 1 1 calc R . .
H94B H 0.0093 -0.0052 0.8835 0.151 Uiso 1 1 calc R . .
O11 O 0.0626(7) 0.4884(18) 0.5288(7) 0.262(18) Uani 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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'
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
P1 Ag1 Se6B 121.1(2) . . ?
P1 Ag1 Se2 119.02(11) . . ?
Se6B Ag1 Se2 101.2(2) . . ?
P1 Ag1 Se5 117.76(12) . . ?
Se6B Ag1 Se5 94.5(2) . . ?
Se2 Ag1 Se5 98.31(6) . . ?
P1 Ag1 Se6A 105.76(11) . . ?
Se6B Ag1 Se6A 18.60(18) . . ?
Se2 Ag1 Se6A 119.62(7) . . ?
Se5 Ag1 Se6A 94.02(7) . . ?
P1 Ag1 Ag6A 146.41(11) . . ?
Se6B Ag1 Ag6A 30.3(2) . . ?
Se2 Ag1 Ag6A 72.66(5) . . ?
Se5 Ag1 Ag6A 88.86(5) . . ?
Se6A Ag1 Ag6A 48.68(6) . . ?
P2 Ag2 Se7B 99.9(2) . . ?
P2 Ag2 Se7A 116.01(13) . . ?
Se7B Ag2 Se7A 19.53(18) . . ?
P2 Ag2 Se2 120.78(13) . . ?
Se7B Ag2 Se2 123.8(2) . . ?
Se7A Ag2 Se2 104.46(7) . . ?
P2 Ag2 Se3 117.18(13) . . ?
Se7B Ag2 Se3 92.04(18) . . ?
Se7A Ag2 Se3 93.58(7) . . ?
Se2 Ag2 Se3 100.46(6) . . ?
P2 Ag2 Ag6B 141.85(16) . . ?
Se7B Ag2 Ag6B 52.0(2) . . ?
Se7A Ag2 Ag6B 32.57(12) . . ?
Se2 Ag2 Ag6B 72.81(12) . . ?
Se3 Ag2 Ag6B 91.85(12) . . ?
P3 Ag3 Se3 118.36(12) . . ?
P3 Ag3 Se4 107.77(11) . . ?
Se3 Ag3 Se4 126.78(7) . . ?
P3 Ag3 Se8 113.47(12) . . ?
Se3 Ag3 Se8 97.97(6) . . ?
Se4 Ag3 Se8 86.07(6) . . ?
P3 Ag3 Ag5 150.25(12) . . ?
Se3 Ag3 Ag5 75.78(5) . . ?
Se4 Ag3 Ag5 51.22(5) . . ?
Se8 Ag3 Ag5 88.16(5) . . ?
P4 Ag4 Se5 132.09(11) . . ?
P4 Ag4 Se9 109.38(11) . . ?
Se5 Ag4 Se9 86.50(6) . . ?
P4 Ag4 Se4 95.30(10) . . ?
Se5 Ag4 Se4 118.99(6) . . ?
Se9 Ag4 Se4 115.10(6) . . ?
P4 Ag4 Ag5 135.27(11) . . ?
Se5 Ag4 Ag5 69.94(5) . . ?
Se9 Ag4 Ag5 110.48(5) . . ?
Se4 Ag4 Ag5 49.17(4) . . ?
P4 Ag4 Ag8 139.74(11) . . ?
Se5 Ag4 Ag8 85.25(5) . . ?
Se9 Ag4 Ag8 49.86(4) . . ?
Se4 Ag4 Ag8 72.42(5) . . ?
Ag5 Ag4 Ag8 63.33(4) . . ?
Se4 Ag5 Se2 143.68(7) . . ?
Se4 Ag5 Se1 122.40(7) . . ?
Se2 Ag5 Se1 93.45(6) . . ?
Se4 Ag5 Ag3 56.12(5) . . ?
Se2 Ag5 Ag3 121.58(6) . . ?
Se1 Ag5 Ag3 93.98(5) . . ?
Se4 Ag5 Ag4 59.09(5) . . ?
Se2 Ag5 Ag4 125.00(6) . . ?
Se1 Ag5 Ag4 100.09(6) . . ?
Ag3 Ag5 Ag4 110.37(5) . . ?
Se4 Ag5 Ag8 73.95(5) . . ?
Se2 Ag5 Ag8 141.72(6) . . ?
Se1 Ag5 Ag8 51.88(5) . . ?
Ag3 Ag5 Ag8 81.35(4) . . ?
Ag4 Ag5 Ag8 58.65(4) . . ?
Ag6B Ag6A Se6B 152.2(5) . . ?
Ag6B Ag6A Se6A 156.0(4) . . ?
Se6B Ag6A Se6A 4.3(3) . . ?
Ag6B Ag6A Se7A 16.9(3) . . ?
Se6B Ag6A Se7A 139.0(3) . . ?
Se6A Ag6A Se7A 142.03(9) . . ?
Ag6B Ag6A Se1 75.8(3) . . ?
Se6B Ag6A Se1 129.4(3) . . ?
Se6A Ag6A Se1 126.79(9) . . ?
Se7A Ag6A Se1 91.13(7) . . ?
Ag6B Ag6A Ag10 131.3(3) . . ?
Se6B Ag6A Ag10 62.1(3) . . ?
Se6A Ag6A Ag10 58.31(6) . . ?
Se7A Ag6A Ag10 121.86(7) . . ?
Se1 Ag6A Ag10 102.02(6) . . ?
Ag6B Ag6A Ag9 127.0(3) . . ?
Se6B Ag6A Ag9 80.4(3) . . ?
Se6A Ag6A Ag9 76.88(7) . . ?
Se7A Ag6A Ag9 139.69(8) . . ?
Se1 Ag6A Ag9 52.32(5) . . ?
Ag10 Ag6A Ag9 61.45(4) . . ?
Ag6B Ag6A Ag1 121.1(3) . . ?
Se6B Ag6A Ag1 53.5(3) . . ?
Se6A Ag6A Ag1 55.53(6) . . ?
Se7A Ag6A Ag1 127.48(7) . . ?
Se1 Ag6A Ag1 95.12(6) . . ?
Ag10 Ag6A Ag1 107.61(6) . . ?
Ag9 Ag6A Ag1 78.09(5) . . ?
Ag6A Ag6B Se7A 152.8(5) . . ?
Ag6A Ag6B Se7B 158.1(5) . . ?
Se7A Ag6B Se7B 6.0(2) . . ?
Ag6A Ag6B Se1 81.7(4) . . ?
Se7A Ag6B Se1 122.6(3) . . ?
Se7B Ag6B Se1 119.0(3) . . ?
Ag6A Ag6B Se6B 17.2(3) . . ?
Se7A Ag6B Se6B 139.3(4) . . ?
Se7B Ag6B Se6B 143.4(4) . . ?
Se1 Ag6B Se6B 97.6(3) . . ?
Ag6A Ag6B Ag2 135.4(4) . . ?
Se7A Ag6B Ag2 60.8(2) . . ?
Se7B Ag6B Ag2 55.3(2) . . ?
Se1 Ag6B Ag2 94.52(17) . . ?
Se6B Ag6B Ag2 127.3(3) . . ?
Ag6A Ag6B Ag11 124.7(4) . . ?
Se7A Ag6B Ag11 50.04(17) . . ?
Se7B Ag6B Ag11 52.7(2) . . ?
Se1 Ag6B Ag11 91.70(17) . . ?
Se6B Ag6B Ag11 130.8(3) . . ?
Ag2 Ag6B Ag11 99.73(18) . . ?
Se11 Ag7 Se3 148.20(7) . . ?
Se11 Ag7 Se1 123.89(7) . . ?
Se3 Ag7 Se1 87.81(6) . . ?
Se11 Ag7 Ag12 57.96(5) . . ?
Se3 Ag7 Ag12 124.78(6) . . ?
Se1 Ag7 Ag12 99.85(6) . . ?
Se11 Ag7 Ag11 58.64(5) . . ?
Se3 Ag7 Ag11 119.80(6) . . ?
Se1 Ag7 Ag11 98.00(5) . . ?
Ag12 Ag7 Ag11 113.11(5) . . ?
Se11 Ag7 Ag14 72.40(5) . . ?
Se3 Ag7 Ag14 139.15(6) . . ?
Se1 Ag7 Ag14 52.62(4) . . ?
Ag12 Ag7 Ag14 62.74(4) . . ?
Ag11 Ag7 Ag14 80.22(4) . . ?
Se9 Ag8 Se8 145.19(7) . . ?
Se9 Ag8 Se1 125.75(7) . . ?
Se8 Ag8 Se1 88.90(6) . . ?
Se9 Ag8 Ag9 74.83(5) . . ?
Se8 Ag8 Ag9 139.28(6) . . ?
Se1 Ag8 Ag9 53.14(4) . . ?
Se9 Ag8 Ag4 56.39(5) . . ?
Se8 Ag8 Ag4 121.99(5) . . ?
Se1 Ag8 Ag4 98.25(5) . . ?
Ag9 Ag8 Ag4 82.18(4) . . ?
Se9 Ag8 Ag14 112.78(5) . . ?
Se8 Ag8 Ag14 89.29(5) . . ?
Se1 Ag8 Ag14 53.80(4) . . ?
Ag9 Ag8 Ag14 57.99(4) . . ?
Ag4 Ag8 Ag14 139.57(5) . . ?
Se9 Ag8 Ag13 54.79(4) . . ?
Se8 Ag8 Ag13 127.40(6) . . ?
Se1 Ag8 Ag13 102.58(5) . . ?
Ag9 Ag8 Ag13 59.89(4) . . ?
Ag4 Ag8 Ag13 107.07(4) . . ?
Ag14 Ag8 Ag13 60.67(4) . . ?
Se9 Ag8 Ag5 111.58(6) . . ?
Se8 Ag8 Ag5 86.91(5) . . ?
Se1 Ag8 Ag5 50.27(4) . . ?
Ag9 Ag8 Ag5 79.44(4) . . ?
Ag4 Ag8 Ag5 58.02(4) . . ?
Ag14 Ag8 Ag5 104.01(4) . . ?
Ag13 Ag8 Ag5 138.89(5) . . ?
Se13 Ag9 Se1 131.00(7) . . ?
Se13 Ag9 Se5 137.60(7) . . ?
Se1 Ag9 Se5 91.40(6) . . ?
Se13 Ag9 Ag14 76.59(5) . . ?
Se1 Ag9 Ag14 56.01(5) . . ?
Se5 Ag9 Ag14 143.69(6) . . ?
Se13 Ag9 Ag8 115.39(6) . . ?
Se1 Ag9 Ag8 54.82(5) . . ?
Se5 Ag9 Ag8 86.82(5) . . ?
Ag14 Ag9 Ag8 62.25(4) . . ?
Se13 Ag9 Ag13 55.63(5) . . ?
Se1 Ag9 Ag13 105.39(5) . . ?
Se5 Ag9 Ag13 120.57(6) . . ?
Ag14 Ag9 Ag13 62.69(4) . . ?
Ag8 Ag9 Ag13 61.64(4) . . ?
Se13 Ag9 Ag10 59.14(5) . . ?
Se1 Ag9 Ag10 97.65(5) . . ?
Se5 Ag9 Ag10 124.24(6) . . ?
Ag14 Ag9 Ag10 79.88(4) . . ?
Ag8 Ag9 Ag10 141.13(5) . . ?
Ag13 Ag9 Ag10 109.63(4) . . ?
Se13 Ag9 Ag6A 114.41(6) . . ?
Se1 Ag9 Ag6A 52.13(5) . . ?
Se5 Ag9 Ag6A 90.18(5) . . ?
Ag14 Ag9 Ag6A 81.88(4) . . ?
Ag8 Ag9 Ag6A 106.75(5) . . ?
Ag13 Ag9 Ag6A 144.31(5) . . ?
Ag10 Ag9 Ag6A 56.38(4) . . ?
P5 Ag10 Se10 121.55(12) . . ?
P5 Ag10 Se6B 122.0(2) . . ?
Se10 Ag10 Se6B 104.5(2) . . ?
P5 Ag10 Se6A 106.12(12) . . ?
Se10 Ag10 Se6A 123.10(8) . . ?
Se6B Ag10 Se6A 18.60(18) . . ?
P5 Ag10 Se13 98.41(12) . . ?
Se10 Ag10 Se13 91.39(6) . . ?
Se6B Ag10 Se13 114.63(19) . . ?
Se6A Ag10 Se13 111.64(7) . . ?
P5 Ag10 Ag6A 148.37(12) . . ?
Se10 Ag10 Ag6A 72.26(5) . . ?
Se6B Ag10 Ag6A 32.7(2) . . ?
Se6A Ag10 Ag6A 51.21(6) . . ?
Se13 Ag10 Ag6A 110.17(6) . . ?
P5 Ag10 Ag9 140.21(13) . . ?
Se10 Ag10 Ag9 86.07(5) . . ?
Se6B Ag10 Ag9 69.05(19) . . ?
Se6A Ag10 Ag9 74.32(6) . . ?
Se13 Ag10 Ag9 49.00(4) . . ?
Ag6A Ag10 Ag9 62.17(4) . . ?
P6 Ag11 Se7A 119.16(13) . . ?
P6 Ag11 Se7B 106.2(2) . . ?
Se7A Ag11 Se7B 19.45(17) . . ?
P6 Ag11 Se10 115.21(12) . . ?
Se7A Ag11 Se10 94.92(7) . . ?
Se7B Ag11 Se10 114.3(2) . . ?
P6 Ag11 Se11 104.70(12) . . ?
Se7A Ag11 Se11 128.35(7) . . ?
Se7B Ag11 Se11 126.73(18) . . ?
Se10 Ag11 Se11 89.44(6) . . ?
P6 Ag11 Ag7 146.58(12) . . ?
Se7A Ag11 Ag7 76.23(6) . . ?
Se7B Ag11 Ag7 79.17(17) . . ?
Se10 Ag11 Ag7 90.73(5) . . ?
Se11 Ag11 Ag7 52.23(5) . . ?
P6 Ag11 Ag6B 140.24(15) . . ?
Se7A Ag11 Ag6B 29.08(12) . . ?
Se7B Ag11 Ag6B 48.1(2) . . ?
Se10 Ag11 Ag6B 67.92(11) . . ?
Se11 Ag11 Ag6B 115.05(11) . . ?
Ag7 Ag11 Ag6B 67.45(10) . . ?
P7 Ag12 Se8 125.75(11) . . ?
P7 Ag12 Se11 101.60(11) . . ?
Se8 Ag12 Se11 128.06(7) . . ?
P7 Ag12 Ag7 147.01(11) . . ?
Se8 Ag12 Ag7 75.58(5) . . ?
Se11 Ag12 Ag7 52.48(5) . . ?
P7 Ag12 Se12 96.29(11) . . ?
Se8 Ag12 Se12 90.65(6) . . ?
Se11 Ag12 Se12 105.45(6) . . ?
Ag7 Ag12 Se12 109.40(5) . . ?
P7 Ag12 Ag14 133.41(11) . . ?
Se8 Ag12 Ag14 87.86(5) . . ?
Se11 Ag12 Ag14 70.78(5) . . ?
Ag7 Ag12 Ag14 63.32(4) . . ?
Se12 Ag12 Ag14 46.98(4) . . ?
P8 Ag13 Se12 111.21(11) . . ?
P8 Ag13 Se13 105.77(11) . . ?
Se12 Ag13 Se13 111.57(6) . . ?
P8 Ag13 Se9 101.07(11) . . ?
Se12 Ag13 Se9 113.88(6) . . ?
Se13 Ag13 Se9 112.55(6) . . ?
P8 Ag13 Ag9 143.06(10) . . ?
Se12 Ag13 Ag9 104.51(5) . . ?
Se13 Ag13 Ag9 50.29(4) . . ?
Se9 Ag13 Ag9 71.75(5) . . ?
P8 Ag13 Ag8 142.69(11) . . ?
Se12 Ag13 Ag8 71.78(5) . . ?
Se13 Ag13 Ag8 107.16(5) . . ?
Se9 Ag13 Ag8 49.66(4) . . ?
Ag9 Ag13 Ag8 58.47(4) . . ?
P8 Ag13 Ag14 151.13(11) . . ?
Se12 Ag13 Ag14 49.30(4) . . ?
Se13 Ag13 Ag14 71.14(5) . . ?
Se9 Ag13 Ag14 106.57(5) . . ?
Ag9 Ag13 Ag14 57.08(4) . . ?
Ag8 Ag13 Ag14 59.27(4) . . ?
Se12 Ag14 Se10 143.18(7) . . ?
Se12 Ag14 Se1 126.12(7) . . ?
Se10 Ag14 Se1 90.68(6) . . ?
Se12 Ag14 Ag9 112.21(6) . . ?
Se10 Ag14 Ag9 89.22(5) . . ?
Se1 Ag14 Ag9 53.76(4) . . ?
Se12 Ag14 Ag8 74.32(5) . . ?
Se10 Ag14 Ag8 141.44(6) . . ?
Se1 Ag14 Ag8 53.30(4) . . ?
Ag9 Ag14 Ag8 59.77(4) . . ?
Se12 Ag14 Ag13 54.14(5) . . ?
Se10 Ag14 Ag13 126.20(6) . . ?
Se1 Ag14 Ag13 101.68(5) . . ?
Ag9 Ag14 Ag13 60.24(4) . . ?
Ag8 Ag14 Ag13 60.06(4) . . ?
Se12 Ag14 Ag12 61.60(5) . . ?
Se10 Ag14 Ag12 123.07(6) . . ?
Se1 Ag14 Ag12 92.06(5) . . ?
Ag9 Ag14 Ag12 135.02(5) . . ?
Ag8 Ag14 Ag12 76.75(4) . . ?
Ag13 Ag14 Ag12 108.73(4) . . ?
Se12 Ag14 Ag7 114.53(6) . . ?
Se10 Ag14 Ag7 86.12(5) . . ?
Se1 Ag14 Ag7 51.50(4) . . ?
Ag9 Ag14 Ag7 104.98(4) . . ?
Ag8 Ag14 Ag7 81.19(4) . . ?
Ag13 Ag14 Ag7 141.05(5) . . ?
Ag12 Ag14 Ag7 53.94(4) . . ?
Ag6B Se1 Ag6A 22.57(14) . . ?
Ag6B Se1 Ag5 104.03(14) . . ?
Ag6A Se1 Ag5 104.90(7) . . ?
Ag6B Se1 Ag9 97.70(15) . . ?
Ag6A Se1 Ag9 75.55(6) . . ?
Ag5 Se1 Ag9 103.75(6) . . ?
Ag6B Se1 Ag7 84.57(15) . . ?
Ag6A Se1 Ag7 105.24(7) . . ?
Ag5 Se1 Ag7 109.16(6) . . ?
Ag9 Se1 Ag7 145.42(7) . . ?
Ag6B Se1 Ag8 169.65(16) . . ?
Ag6A Se1 Ag8 147.10(8) . . ?
Ag5 Se1 Ag8 77.85(6) . . ?
Ag9 Se1 Ag8 72.04(5) . . ?
Ag7 Se1 Ag8 104.56(6) . . ?
Ag6B Se1 Ag14 105.31(13) . . ?
Ag6A Se1 Ag14 101.35(6) . . ?
Ag5 Se1 Ag14 150.59(8) . . ?
Ag9 Se1 Ag14 70.23(5) . . ?
Ag7 Se1 Ag14 75.88(5) . . ?
Ag8 Se1 Ag14 72.90(5) . . ?
C1 Se2 Ag5 115.7(5) . . ?
C1 Se2 Ag1 103.2(4) . . ?
Ag5 Se2 Ag1 96.29(7) . . ?
C1 Se2 Ag2 111.5(4) . . ?
Ag5 Se2 Ag2 97.19(6) . . ?
Ag1 Se2 Ag2 132.09(7) . . ?
C7 Se3 Ag7 112.5(6) . . ?
C7 Se3 Ag3 109.3(7) . . ?
Ag7 Se3 Ag3 98.80(7) . . ?
C7 Se3 Ag2 103.2(7) . . ?
Ag7 Se3 Ag2 102.41(6) . . ?
Ag3 Se3 Ag2 130.25(7) . . ?
C13 Se4 Ag5 104.6(5) . . ?
C13 Se4 Ag3 99.8(4) . . ?
Ag5 Se4 Ag3 72.66(6) . . ?
C13 Se4 Ag4 114.2(4) . . ?
Ag5 Se4 Ag4 71.74(5) . . ?
Ag3 Se4 Ag4 135.57(7) . . ?
C19 Se5 Ag9 113.5(5) . . ?
C19 Se5 Ag4 109.8(5) . . ?
Ag9 Se5 Ag4 102.43(6) . . ?
C19 Se5 Ag1 97.9(5) . . ?
Ag9 Se5 Ag1 98.50(6) . . ?
Ag4 Se5 Ag1 134.41(7) . . ?
Se6B Se6A C25 99.1(8) . . ?
Se6B Se6A Ag6A 8.0(6) . . ?
C25 Se6A Ag6A 105.6(5) . . ?
Se6B Se6A Ag10 77.5(6) . . ?
C25 Se6A Ag10 117.5(4) . . ?
Ag6A Se6A Ag10 70.48(7) . . ?
Se6B Se6A Ag1 72.0(6) . . ?
C25 Se6A Ag1 100.4(4) . . ?
Ag6A Se6A Ag1 75.80(7) . . ?
Ag10 Se6A Ag1 134.38(9) . . ?
Se6A Se6B Ag6A 167.7(9) . . ?
Se6A Se6B C25 57.8(7) . . ?
Ag6A Se6B C25 131.9(7) . . ?
Se6A Se6B Ag6B 174.8(7) . . ?
Ag6A Se6B Ag6B 10.59(19) . . ?
C25 Se6B Ag6B 121.7(6) . . ?
Se6A Se6B Ag1 89.4(6) . . ?
Ag6A Se6B Ag1 96.2(4) . . ?
C25 Se6B Ag1 96.5(4) . . ?
Ag6B Se6B Ag1 95.8(3) . . ?
Se6A Se6B Ag10 83.9(6) . . ?
Ag6A Se6B Ag10 85.3(3) . . ?
C25 Se6B Ag10 108.5(5) . . ?
Ag6B Se6B Ag10 91.6(3) . . ?
Ag1 Se6B Ag10 145.0(4) . . ?
Se7B Se7A Ag6B 163.1(6) . . ?
Se7B Se7A C31 68.8(7) . . ?
Ag6B Se7A C31 121.9(6) . . ?
Se7B Se7A Ag6A 171.4(5) . . ?
Ag6B Se7A Ag6A 10.3(2) . . ?
C31 Se7A Ag6A 112.8(5) . . ?
Se7B Se7A Ag11 86.5(5) . . ?
Ag6B Se7A Ag11 100.9(2) . . ?
C31 Se7A Ag11 108.1(5) . . ?
Ag6A Se7A Ag11 100.65(9) . . ?
Se7B Se7A Ag2 77.6(5) . . ?
Ag6B Se7A Ag2 86.6(2) . . ?
C31 Se7A Ag2 104.0(5) . . ?
Ag6A Se7A Ag2 93.83(8) . . ?
Ag11 Se7A Ag2 135.89(9) . . ?
Se7A Se7B C31 83.2(8) . . ?
Se7A Se7B C36 117.2(8) . . ?
C31 Se7B C36 34.4(6) . . ?
Se7A Se7B Ag6B 10.9(4) . . ?
C31 Se7B Ag6B 90.6(7) . . ?
C36 Se7B Ag6B 124.9(5) . . ?
Se7A Se7B Ag2 82.9(5) . . ?
C31 Se7B Ag2 109.3(6) . . ?
C36 Se7B Ag2 115.5(5) . . ?
Ag6B Se7B Ag2 72.7(3) . . ?
Se7A Se7B Ag11 74.0(5) . . ?
C31 Se7B Ag11 108.0(6) . . ?
C36 Se7B Ag11 111.5(4) . . ?
Ag6B Se7B Ag11 79.2(3) . . ?
Ag2 Se7B Ag11 132.9(3) . . ?
C37 Se8 Ag12 102.4(4) . . ?
C37 Se8 Ag8 114.1(5) . . ?
Ag12 Se8 Ag8 101.96(6) . . ?
C37 Se8 Ag3 109.0(4) . . ?
Ag12 Se8 Ag3 128.28(7) . . ?
Ag8 Se8 Ag3 101.27(6) . . ?
C43 Se9 Ag8 104.8(5) . . ?
C43 Se9 Ag13 100.4(5) . . ?
Ag8 Se9 Ag13 75.55(5) . . ?
C43 Se9 Ag4 111.6(5) . . ?
Ag8 Se9 Ag4 73.75(5) . . ?
Ag13 Se9 Ag4 140.11(7) . . ?
C49 Se10 Ag14 117.1(5) . . ?
C49 Se10 Ag10 103.5(4) . . ?
Ag14 Se10 Ag10 100.05(7) . . ?
C49 Se10 Ag11 103.5(4) . . ?
Ag14 Se10 Ag11 99.00(6) . . ?
Ag10 Se10 Ag11 134.81(7) . . ?
C55 Se11 Ag7 106.8(6) . . ?
C55 Se11 Ag12 102.5(6) . . ?
Ag7 Se11 Ag12 69.56(5) . . ?
C55 Se11 Ag11 109.6(6) . . ?
Ag7 Se11 Ag11 69.13(5) . . ?
Ag12 Se11 Ag11 133.19(7) . . ?
C61 Se12 Ag14 107.6(5) . . ?
C61 Se12 Ag13 98.5(4) . . ?
Ag14 Se12 Ag13 76.56(5) . . ?
C61 Se12 Ag12 121.3(4) . . ?
Ag14 Se12 Ag12 71.42(5) . . ?
Ag13 Se12 Ag12 134.55(7) . . ?
C67 Se13 Ag9 104.8(6) . . ?
C67 Se13 Ag13 98.1(6) . . ?
Ag9 Se13 Ag13 74.08(5) . . ?
C67 Se13 Ag10 116.7(6) . . ?
Ag9 Se13 Ag10 71.86(5) . . ?
Ag13 Se13 Ag10 136.18(7) . . ?
C111 P1 C121 101.6(7) . . ?
C111 P1 C131 104.4(7) . . ?
C121 P1 C131 103.4(7) . . ?
C111 P1 Ag1 112.4(5) . . ?
C121 P1 Ag1 120.0(5) . . ?
C131 P1 Ag1 113.3(5) . . ?
C216 P2 C231 103.7(8) . . ?
C216 P2 C221 104.0(9) . . ?
C231 P2 C221 100.8(9) . . ?
C216 P2 Ag2 113.4(7) . . ?
C231 P2 Ag2 112.6(5) . . ?
C221 P2 Ag2 120.4(7) . . ?
C331 P3 C321 106.9(8) . . ?
C331 P3 C311 102.8(8) . . ?
C321 P3 C311 101.3(8) . . ?
C331 P3 Ag3 110.1(5) . . ?
C321 P3 Ag3 118.1(6) . . ?
C311 P3 Ag3 116.1(5) . . ?
C421 P4 C411 105.6(7) . . ?
C421 P4 C431 103.7(7) . . ?
C411 P4 C431 100.7(7) . . ?
C421 P4 Ag4 111.5(5) . . ?
C411 P4 Ag4 122.9(5) . . ?
C431 P4 Ag4 110.4(5) . . ?
C511 P5 C521 101.0(8) . . ?
C511 P5 C531 103.9(8) . . ?
C521 P5 C531 101.3(8) . . ?
C511 P5 Ag10 115.0(6) . . ?
C521 P5 Ag10 122.4(6) . . ?
C531 P5 Ag10 110.9(5) . . ?
C611 P6 C621 101.0(8) . . ?
C611 P6 C631 108.5(8) . . ?
C621 P6 C631 101.8(8) . . ?
C611 P6 Ag11 119.3(6) . . ?
C621 P6 Ag11 111.4(6) . . ?
C631 P6 Ag11 112.9(6) . . ?
C731 P7 C721 104.3(7) . . ?
C731 P7 C711 102.6(7) . . ?
C721 P7 C711 102.7(7) . . ?
C731 P7 Ag12 120.9(5) . . ?
C721 P7 Ag12 114.5(5) . . ?
C711 P7 Ag12 109.7(5) . . ?
C811 P8 C821 99.1(7) . . ?
C811 P8 C831 103.8(7) . . ?
C821 P8 C831 106.0(7) . . ?
C811 P8 Ag13 118.8(5) . . ?
C821 P8 Ag13 114.1(6) . . ?
C831 P8 Ag13 113.3(5) . . ?
C104 O1 C101 102.5(14) . . ?
C201 O2 C204 99.6(16) . . ?
C304 O3 C301 105(2) . . ?
C401 O4 C404 103(3) . . ?
C501 O5 C504 103(3) . . ?
C601 O6 C604 108(4) . . ?
C701 O7 C4E 100(3) . . ?
C2 C1 C6 116.0(17) . . ?
C2 C1 Se2 124.7(13) . . ?
C6 C1 Se2 119.3(12) . . ?
C1 C2 C3 123.8(18) . . ?
C4 C3 C2 120.1(17) . . ?
C3 C4 C5 120.5(18) . . ?
C6 C5 C4 116(2) . . ?
C5 C6 C1 123.5(18) . . ?
C12 C7 C8 117.9(17) . . ?
C12 C7 Se3 125.4(16) . . ?
C8 C7 Se3 116.6(13) . . ?
C9 C8 C7 118.8(18) . . ?
C8 C9 C10 117(2) . . ?
C11 C10 C9 123(2) . . ?
C10 C11 C12 120(2) . . ?
C7 C12 C11 123.6(19) . . ?
C14 C13 C18 116.3(15) . . ?
C14 C13 Se4 120.1(13) . . ?
C18 C13 Se4 123.2(11) . . ?
C13 C14 C15 126.7(19) . . ?
C14 C15 C16 112.9(17) . . ?
C17 C16 C15 121.3(18) . . ?
C18 C17 C16 122(2) . . ?
C17 C18 C13 120.8(16) . . ?
C24 C19 C20 120.0(16) . . ?
C24 C19 Se5 122.2(14) . . ?
C20 C19 Se5 117.7(13) . . ?
C19 C20 C21 116(2) . . ?
C22 C21 C20 122(2) . . ?
C23 C22 C21 116.1(17) . . ?
C22 C23 C24 123.1(17) . . ?
C19 C24 C23 120.9(17) . . ?
C26 C25 C30 118.5(17) . . ?
C26 C25 Se6A 118.3(14) . . ?
C30 C25 Se6A 122.9(12) . . ?
C26 C25 Se6B 133.1(14) . . ?
C30 C25 Se6B 106.9(12) . . ?
Se6A C25 Se6B 23.1(3) . . ?
C25 C26 C27 123(2) . . ?
C28 C27 C26 119(2) . . ?
C27 C28 C29 120(2) . . ?
C28 C29 C30 120(2) . . ?
C25 C30 C29 120.3(16) . . ?
C36 C31 C32 114.2(15) . . ?
C36 C31 Se7B 98.4(12) . . ?
C32 C31 Se7B 147.4(14) . . ?
C36 C31 Se7A 126.2(13) . . ?
C32 C31 Se7A 119.5(13) . . ?
Se7B C31 Se7A 28.0(4) . . ?
C33 C32 C31 123.8(17) . . ?
C32 C33 C34 120.9(17) . . ?
C35 C34 C33 116.3(17) . . ?
C34 C35 C36 121.1(18) . . ?
C31 C36 C35 123.0(16) . . ?
C31 C36 Se7B 47.3(9) . . ?
C35 C36 Se7B 169.6(14) . . ?
C38 C37 C42 115.3(16) . . ?
C38 C37 Se8 123.2(13) . . ?
C42 C37 Se8 121.5(11) . . ?
C39 C38 C37 121.6(18) . . ?
C38 C39 C40 124.2(18) . . ?
C39 C40 C41 114.0(18) . . ?
C42 C41 C40 125(2) . . ?
C41 C42 C37 119.7(18) . . ?
C44 C43 C48 118.6(15) . . ?
C44 C43 Se9 123.1(13) . . ?
C48 C43 Se9 118.1(11) . . ?
C45 C44 C43 119.8(14) . . ?
C44 C45 C46 120.8(14) . . ?
C47 C46 C45 118.8(14) . . ?
C48 C47 C46 120.2(15) . . ?
C47 C48 C43 121.5(14) . . ?
C54 C49 C50 116.9(16) . . ?
C54 C49 Se10 122.1(13) . . ?
C50 C49 Se10 120.6(12) . . ?
C51 C50 C49 118.4(16) . . ?
C52 C51 C50 121.1(19) . . ?
C53 C52 C51 119.4(18) . . ?
C52 C53 C54 121.8(19) . . ?
C49 C54 C53 121.7(18) . . ?
C56 C55 C60 119.1(15) . . ?
C56 C55 Se11 124.1(13) . . ?
C60 C55 Se11 116.8(13) . . ?
C57 C56 C55 119.2(15) . . ?
C58 C57 C56 120.3(19) . . ?
C57 C58 C59 123.1(18) . . ?
C58 C59 C60 119.8(19) . . ?
C59 C60 C55 118.5(18) . . ?
C66 C61 C62 120.2(16) . . ?
C66 C61 Se12 121.4(12) . . ?
C62 C61 Se12 118.5(13) . . ?
C61 C62 C63 118.7(17) . . ?
C62 C63 C64 121.3(16) . . ?
C65 C64 C63 119.6(15) . . ?
C64 C65 C66 120.1(18) . . ?
C61 C66 C65 120.1(16) . . ?
C68 C67 C72 119.1(17) . . ?
C68 C67 Se13 121.1(13) . . ?
C72 C67 Se13 118.4(14) . . ?
C67 C68 C69 122.0(17) . . ?
C68 C69 C70 117.3(18) . . ?
C71 C70 C69 121.1(18) . . ?
C70 C71 C72 122.3(18) . . ?
C71 C72 C67 117.7(17) . . ?
C112 C111 C116 115.2(15) . . ?
C112 C111 P1 120.4(12) . . ?
C116 C111 P1 124.4(13) . . ?
C113 C112 C111 123.3(16) . . ?
C112 C113 C114 120.2(18) . . ?
C115 C114 C113 116.9(18) . . ?
C116 C115 C114 122.3(18) . . ?
C115 C116 C111 122.0(19) . . ?
C122 C121 C126 114.6(16) . . ?
C122 C121 P1 126.1(12) . . ?
C126 C121 P1 119.3(13) . . ?
C121 C122 C123 120.1(16) . . ?
C124 C123 C122 126.9(19) . . ?
C125 C124 C123 112.3(18) . . ?
C124 C125 C126 125.3(18) . . ?
C125 C126 C121 120.8(16) . . ?
C136 C131 C132 115.6(16) . . ?
C136 C131 P1 118.3(13) . . ?
C132 C131 P1 125.8(14) . . ?
C133 C132 C131 121.8(19) . . ?
C134 C133 C132 119.6(19) . . ?
C133 C134 C135 121.1(17) . . ?
C136 C135 C134 118.4(16) . . ?
C135 C136 C131 123.5(16) . . ?
C216 C211 C212 118.8(19) . . ?
C213 C212 C211 117(2) . . ?
C212 C213 C214 124.2(19) . . ?
C215 C214 C213 115(2) . . ?
C214 C215 C216 126(2) . . ?
C215 C216 C211 119.4(18) . . ?
C215 C216 P2 122.8(16) . . ?
C211 C216 P2 117.5(13) . . ?
C226 C221 C222 123.0(16) . . ?
C226 C221 P2 123.8(16) . . ?
C222 C221 P2 113.1(14) . . ?
C221 C222 C223 113.0(17) . . ?
C224 C223 C222 123(2) . . ?
C223 C224 C225 118.8(19) . . ?
C226 C225 C224 122.1(18) . . ?
C225 C226 C221 119.5(19) . . ?
C232 C231 C236 118.2(17) . . ?
C232 C231 P2 126.9(14) . . ?
C236 C231 P2 114.9(13) . . ?
C231 C232 C233 120(2) . . ?
C234 C233 C232 120(2) . . ?
C235 C234 C233 121.4(18) . . ?
C234 C235 C236 120.7(19) . . ?
C235 C236 C231 118.9(19) . . ?
C312 C311 C316 116.5(16) . . ?
C312 C311 P3 117.8(12) . . ?
C316 C311 P3 125.4(14) . . ?
C311 C312 C313 122.7(16) . . ?
C314 C313 C312 120.2(18) . . ?
C315 C314 C313 117.1(17) . . ?
C314 C315 C316 122.5(16) . . ?
C315 C316 C311 120.8(17) . . ?
C326 C321 C322 116.3(18) . . ?
C326 C321 P3 119.7(15) . . ?
C322 C321 P3 124.0(14) . . ?
C323 C322 C321 125(2) . . ?
C324 C323 C322 116(2) . . ?
C323 C324 C325 121(2) . . ?
C326 C325 C324 119(2) . . ?
C321 C326 C325 124(2) . . ?
C332 C331 C336 113.9(16) . . ?
C332 C331 P3 126.0(14) . . ?
C336 C331 P3 119.8(12) . . ?
C333 C332 C331 124.5(17) . . ?
C332 C333 C334 116.7(18) . . ?
C335 C334 C333 122.6(17) . . ?
C334 C335 C336 121.0(17) . . ?
C335 C336 C331 121.2(17) . . ?
C412 C411 C416 115.7(16) . . ?
C412 C411 P4 125.5(13) . . ?
C416 C411 P4 118.8(12) . . ?
C413 C412 C411 123.1(15) . . ?
C412 C413 C414 120.5(15) . . ?
C415 C414 C413 119.1(16) . . ?
C414 C415 C416 120.5(16) . . ?
C415 C416 C411 120.6(16) . . ?
C426 C421 C422 115.0(16) . . ?
C426 C421 P4 119.7(12) . . ?
C422 C421 P4 125.1(14) . . ?
C421 C422 C423 121.0(18) . . ?
C424 C423 C422 121.2(17) . . ?
C423 C424 C425 118.5(16) . . ?
C426 C425 C424 119.5(17) . . ?
C425 C426 C421 124.7(16) . . ?
C432 C431 C436 119.6(15) . . ?
C432 C431 P4 124.2(13) . . ?
C436 C431 P4 115.3(12) . . ?
C431 C432 C433 119.7(14) . . ?
C434 C433 C432 121.3(15) . . ?
C433 C434 C435 119.1(16) . . ?
C436 C435 C434 120.2(16) . . ?
C435 C436 C431 119.8(16) . . ?
C516 C511 C512 114.4(15) . . ?
C516 C511 P5 128.7(13) . . ?
C512 C511 P5 116.9(12) . . ?
C513 C512 C511 117.3(16) . . ?
C512 C513 C514 128.8(17) . . ?
C515 C514 C513 111.8(19) . . ?
C514 C515 C516 124.0(19) . . ?
C515 C516 C511 123.4(16) . . ?
C526 C521 C522 114(2) . . ?
C526 C521 P5 130.5(18) . . ?
C522 C521 P5 114.9(14) . . ?
C523 C522 C521 121(2) . . ?
C524 C523 C522 119(2) . . ?
C525 C524 C523 123(2) . . ?
C524 C525 C526 117(2) . . ?
C521 C526 C525 126(3) . . ?
C536 C531 C532 116.0(15) . . ?
C536 C531 P5 127.2(13) . . ?
C532 C531 P5 116.7(14) . . ?
C533 C532 C531 121.8(17) . . ?
C534 C533 C532 118.7(17) . . ?
C533 C534 C535 119.4(15) . . ?
C536 C535 C534 120.1(17) . . ?
C535 C536 C531 123.6(17) . . ?
C612 C611 C616 115.5(17) . . ?
C612 C611 P6 117.3(13) . . ?
C616 C611 P6 127.0(15) . . ?
C613 C612 C611 118.5(15) . . ?
C614 C613 C612 123.8(19) . . ?
C613 C614 C615 118.2(18) . . ?
C616 C615 C614 116.7(16) . . ?
C615 C616 C611 126.7(18) . . ?
C626 C621 C622 119.2(17) . . ?
C626 C621 P6 115.9(12) . . ?
C622 C621 P6 124.9(14) . . ?
C623 C622 C621 121.3(18) . . ?
C622 C623 C624 119.8(17) . . ?
C625 C624 C623 118.4(18) . . ?
C624 C625 C626 122.0(18) . . ?
C621 C626 C625 119.2(17) . . ?
C632 C631 C636 119.5(18) . . ?
C632 C631 P6 125.5(15) . . ?
C636 C631 P6 114.9(16) . . ?
C633 C632 C631 120(2) . . ?
C634 C633 C632 126(2) . . ?
C633 C634 C635 115(2) . . ?
C634 C635 C636 122(2) . . ?
C631 C636 C635 116(2) . . ?
C712 C711 C716 116.4(14) . . ?
C712 C711 P7 118.9(11) . . ?
C716 C711 P7 124.8(11) . . ?
C713 C712 C711 122.1(14) . . ?
C714 C713 C712 119.6(18) . . ?
C713 C714 C715 122.9(18) . . ?
C716 C715 C714 114.1(15) . . ?
C711 C716 C715 124.7(15) . . ?
C726 C721 C722 118.1(15) . . ?
C726 C721 P7 123.6(12) . . ?
C722 C721 P7 118.3(12) . . ?
C723 C722 C721 120.5(15) . . ?
C724 C723 C722 118.7(14) . . ?
C723 C724 C725 123.3(15) . . ?
C726 C725 C724 115.5(16) . . ?
C721 C726 C725 123.9(16) . . ?
C732 C731 C736 118.5(16) . . ?
C732 C731 P7 122.8(12) . . ?
C736 C731 P7 118.5(13) . . ?
C731 C732 C733 123.9(17) . . ?
C734 C733 C732 118.7(18) . . ?
C733 C734 C735 122.5(19) . . ?
C734 C735 C736 119.1(18) . . ?
C731 C736 C735 117.1(18) . . ?
C812 C811 C816 116.0(14) . . ?
C812 C811 P8 123.0(11) . . ?
C816 C811 P8 121.0(12) . . ?
C813 C812 C811 121.9(15) . . ?
C812 C813 C814 121.5(17) . . ?
C815 C814 C813 117.6(19) . . ?
C814 C815 C816 121.3(16) . . ?
C815 C816 C811 121.6(14) . . ?
C826 C821 C822 117.2(14) . . ?
C826 C821 P8 119.6(12) . . ?
C822 C821 P8 123.1(12) . . ?
C823 C822 C821 124.8(17) . . ?
C822 C823 C824 115.8(16) . . ?
C825 C824 C823 118.3(15) . . ?
C826 C825 C824 122.6(16) . . ?
C825 C826 C821 121.0(16) . . ?
C832 C831 C836 121.7(17) . . ?
C832 C831 P8 124.9(14) . . ?
C836 C831 P8 113.4(12) . . ?
C831 C832 C833 117.8(18) . . ?
C834 C833 C832 123.6(17) . . ?
C833 C834 C835 115.8(17) . . ?
C836 C835 C834 122.3(18) . . ?
C835 C836 C831 118.2(17) . . ?
O7 C4E C703 110(2) . . ?
O7 C701 C702 106(3) . . ?
C702 C703 C4E 100(2) . . ?
O3 C304 C303 110.0(16) . . ?
C701 C702 C703 98(2) . . ?
O2 C201 C202 106(2) . . ?
C201 C202 C203 105(2) . . ?
C204 C203 C202 104.0(18) . . ?
C304 C303 C302 103.6(19) . . ?
O3 C301 C302 103(2) . . ?
C301 C302 C303 104(2) . . ?
O4 C404 C403 111(3) . . ?
C404 C403 C402 101(3) . . ?
C401 C402 C403 104(3) . . ?
O4 C401 C402 114(3) . . ?
O5 C501 C502 106(3) . . ?
C501 C502 C503 115(3) . . ?
C504 C503 C502 101(3) . . ?
C203 C204 O2 107.0(16) . . ?
C503 C504 O5 110(3) . . ?
O1 C104 C103 112.3(16) . . ?
C104 C103 C102 96.8(16) . . ?
C101 C102 C103 101.7(17) . . ?
O1 C101 C102 109.4(18) . . ?
C603 C602 C601 104(3) . . ?
C603 C604 O6 101(3) . . ?
C604 C603 C602 116(4) . . ?
O6 C601 C602 108(4) . . ?
C904 O9 C901 100(2) . . ?
O9 C904 C903 109(2) . . ?
C904 C903 C902 96.4(18) . . ?
C901 C902 C903 104(2) . . ?
O9 C901 C902 109(2) . . ?
C801 O8 C804 102.1(18) . . ?
O8 C801 C802 117(2) . . ?
C801 C802 C803 99.7(18) . . ?
C804 C803 C802 105(2) . . ?
O8 C804 C803 109(2) . . ?
C91 O10 C94 96.1(19) . . ?
O10 C91 C92 113(2) . . ?
C91 C92 C93 99.0(18) . . ?
C94 C93 C92 105.0(19) . . ?
C93 C94 O10 108.0(19) . . ?
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
Ag1 P1 2.496(4) . ?
Ag1 Se6B 2.634(8) . ?
Ag1 Se2 2.6976(19) . ?
Ag1 Se5 2.729(2) . ?
Ag1 Se6A 2.770(2) . ?
Ag1 Ag6A 3.2571(19) . ?
Ag2 P2 2.447(5) . ?
Ag2 Se7B 2.651(8) . ?
Ag2 Se7A 2.693(2) . ?
Ag2 Se2 2.706(2) . ?
Ag2 Se3 2.709(2) . ?
Ag2 Ag6B 3.081(6) . ?
Ag3 P3 2.463(4) . ?
Ag3 Se3 2.645(2) . ?
Ag3 Se4 2.708(2) . ?
Ag3 Se8 2.843(2) . ?
Ag3 Ag5 3.1135(17) . ?
Ag4 P4 2.518(4) . ?
Ag4 Se5 2.6901(19) . ?
Ag4 Se9 2.787(2) . ?
Ag4 Se4 2.883(2) . ?
Ag4 Ag5 3.1912(18) . ?
Ag4 Ag8 3.2129(16) . ?
Ag5 Se4 2.543(2) . ?
Ag5 Se2 2.629(2) . ?
Ag5 Se1 2.6446(19) . ?
Ag5 Ag8 3.3618(17) . ?
Ag6A Ag6B 1.025(6) . ?
Ag6A Se6B 1.653(9) . ?
Ag6A Se6A 2.523(3) . ?
Ag6A Se7A 2.615(3) . ?
Ag6A Se1 2.641(2) . ?
Ag6A Ag10 3.051(2) . ?
Ag6A Ag9 3.240(2) . ?
Ag6B Se7A 1.661(7) . ?
Ag6B Se7B 2.543(11) . ?
Ag6B Se1 2.587(6) . ?
Ag6B Se6B 2.603(11) . ?
Ag6B Ag11 3.357(6) . ?
Ag7 Se11 2.544(2) . ?
Ag7 Se3 2.601(2) . ?
Ag7 Se1 2.6811(19) . ?
Ag7 Ag12 3.0059(17) . ?
Ag7 Ag11 3.0075(17) . ?
Ag7 Ag14 3.3224(17) . ?
Ag8 Se9 2.558(2) . ?
Ag8 Se8 2.6184(19) . ?
Ag8 Se1 2.705(2) . ?
Ag8 Ag9 3.1483(16) . ?
Ag8 Ag14 3.2246(17) . ?
Ag8 Ag13 3.2504(16) . ?
Ag9 Se13 2.5561(19) . ?
Ag9 Se1 2.6481(19) . ?
Ag9 Se5 2.6737(19) . ?
Ag9 Ag14 3.0896(16) . ?
Ag9 Ag13 3.1952(17) . ?
Ag9 Ag10 3.2183(17) . ?
Ag10 P5 2.480(4) . ?
Ag10 Se10 2.656(2) . ?
Ag10 Se6B 2.705(8) . ?
Ag10 Se6A 2.755(2) . ?
Ag10 Se13 2.907(2) . ?
Ag11 P6 2.459(4) . ?
Ag11 Se7A 2.620(2) . ?
Ag11 Se7B 2.721(8) . ?
Ag11 Se10 2.742(2) . ?
Ag11 Se11 2.748(2) . ?
Ag12 P7 2.478(4) . ?
Ag12 Se8 2.6001(19) . ?
Ag12 Se11 2.719(2) . ?
Ag12 Se12 3.067(2) . ?
Ag12 Ag14 3.3052(16) . ?
Ag13 P8 2.558(4) . ?
Ag13 Se12 2.7251(19) . ?
Ag13 Se13 2.742(2) . ?
Ag13 Se9 2.7425(19) . ?
Ag13 Ag14 3.2704(17) . ?
Ag14 Se12 2.549(2) . ?
Ag14 Se10 2.630(2) . ?
Ag14 Se1 2.722(2) . ?
Se2 C1 1.943(17) . ?
Se3 C7 1.932(18) . ?
Se4 C13 1.907(16) . ?
Se5 C19 1.921(16) . ?
Se6A Se6B 0.884(8) . ?
Se6A C25 1.902(18) . ?
Se6B C25 2.22(2) . ?
Se7A Se7B 0.908(8) . ?
Se7A C31 1.918(17) . ?
Se7B C31 1.801(19) . ?
Se7B C36 2.43(2) . ?
Se8 C37 1.927(16) . ?
Se9 C43 1.918(17) . ?
Se10 C49 1.881(17) . ?
Se11 C55 1.953(16) . ?
Se12 C61 1.945(18) . ?
Se13 C67 1.946(18) . ?
P1 C111 1.799(16) . ?
P1 C121 1.815(18) . ?
P1 C131 1.835(17) . ?
P2 C216 1.814(18) . ?
P2 C231 1.842(17) . ?
P2 C221 1.843(17) . ?
P3 C331 1.789(17) . ?
P3 C321 1.798(18) . ?
P3 C311 1.798(17) . ?
P4 C421 1.781(17) . ?
P4 C411 1.805(18) . ?
P4 C431 1.867(16) . ?
P5 C511 1.781(16) . ?
P5 C521 1.78(2) . ?
P5 C531 1.825(17) . ?
P6 C611 1.812(18) . ?
P6 C621 1.817(17) . ?
P6 C631 1.871(19) . ?
P7 C731 1.819(16) . ?
P7 C721 1.831(17) . ?
P7 C711 1.833(16) . ?
P8 C811 1.829(16) . ?
P8 C821 1.846(15) . ?
P8 C831 1.865(17) . ?
O1 C104 1.354(19) . ?
O1 C101 1.43(2) . ?
O2 C201 1.41(3) . ?
O2 C204 1.50(2) . ?
O3 C304 1.42(3) . ?
O3 C301 1.47(3) . ?
O4 C401 1.39(3) . ?
O4 C404 1.45(5) . ?
O5 C501 1.41(3) . ?
O5 C504 1.54(4) . ?
O6 C601 1.45(5) . ?
O6 C604 1.52(4) . ?
O7 C701 1.38(3) . ?
O7 C4E 1.50(3) . ?
C1 C2 1.31(2) . ?
C1 C6 1.47(2) . ?
C2 C3 1.39(2) . ?
C3 C4 1.36(2) . ?
C4 C5 1.46(3) . ?
C5 C6 1.35(2) . ?
C7 C12 1.34(2) . ?
C7 C8 1.50(3) . ?
C8 C9 1.38(2) . ?
C9 C10 1.45(3) . ?
C10 C11 1.34(3) . ?
C11 C12 1.36(3) . ?
C13 C14 1.36(2) . ?
C13 C18 1.42(2) . ?
C14 C15 1.40(2) . ?
C15 C16 1.45(3) . ?
C16 C17 1.37(3) . ?
C17 C18 1.35(2) . ?
C19 C24 1.34(2) . ?
C19 C20 1.42(3) . ?
C20 C21 1.45(3) . ?
C21 C22 1.38(3) . ?
C22 C23 1.35(2) . ?
C23 C24 1.40(2) . ?
C25 C26 1.35(2) . ?
C25 C30 1.35(2) . ?
C26 C27 1.41(3) . ?
C27 C28 1.34(3) . ?
C28 C29 1.40(3) . ?
C29 C30 1.41(2) . ?
C31 C36 1.38(2) . ?
C31 C32 1.43(2) . ?
C32 C33 1.34(2) . ?
C33 C34 1.43(2) . ?
C34 C35 1.39(2) . ?
C35 C36 1.40(2) . ?
C37 C38 1.39(2) . ?
C37 C42 1.44(2) . ?
C38 C39 1.34(2) . ?
C39 C40 1.37(2) . ?
C40 C41 1.40(3) . ?
C41 C42 1.31(2) . ?
C43 C44 1.39(2) . ?
C43 C48 1.42(2) . ?
C44 C45 1.39(2) . ?
C45 C46 1.41(2) . ?
C46 C47 1.40(2) . ?
C47 C48 1.35(2) . ?
C49 C54 1.35(2) . ?
C49 C50 1.43(2) . ?
C50 C51 1.41(2) . ?
C51 C52 1.38(2) . ?
C52 C53 1.30(2) . ?
C53 C54 1.42(2) . ?
C55 C56 1.40(2) . ?
C55 C60 1.41(2) . ?
C56 C57 1.38(2) . ?
C57 C58 1.32(2) . ?
C58 C59 1.35(3) . ?
C59 C60 1.38(2) . ?
C61 C66 1.37(2) . ?
C61 C62 1.39(2) . ?
C62 C63 1.39(2) . ?
C63 C64 1.39(2) . ?
C64 C65 1.34(2) . ?
C65 C66 1.42(2) . ?
C67 C68 1.38(2) . ?
C67 C72 1.44(2) . ?
C68 C69 1.39(2) . ?
C69 C70 1.44(2) . ?
C70 C71 1.33(2) . ?
C71 C72 1.40(2) . ?
C111 C112 1.38(2) . ?
C111 C116 1.42(2) . ?
C112 C113 1.37(2) . ?
C113 C114 1.41(2) . ?
C114 C115 1.38(3) . ?
C115 C116 1.34(2) . ?
C121 C122 1.36(2) . ?
C121 C126 1.39(2) . ?
C122 C123 1.38(2) . ?
C123 C124 1.34(2) . ?
C124 C125 1.33(2) . ?
C125 C126 1.39(2) . ?
C131 C136 1.37(2) . ?
C131 C132 1.43(2) . ?
C132 C133 1.35(2) . ?
C133 C134 1.35(3) . ?
C134 C135 1.39(2) . ?
C135 C136 1.35(2) . ?
C211 C216 1.41(2) . ?
C211 C212 1.49(2) . ?
C212 C213 1.34(3) . ?
C213 C214 1.48(3) . ?
C214 C215 1.35(2) . ?
C215 C216 1.36(2) . ?
C221 C226 1.40(2) . ?
C221 C222 1.43(3) . ?
C222 C223 1.46(3) . ?
C223 C224 1.37(3) . ?
C224 C225 1.39(2) . ?
C225 C226 1.34(2) . ?
C231 C232 1.37(3) . ?
C231 C236 1.45(2) . ?
C232 C233 1.39(3) . ?
C233 C234 1.38(3) . ?
C234 C235 1.33(3) . ?
C235 C236 1.40(3) . ?
C311 C312 1.33(2) . ?
C311 C316 1.40(2) . ?
C312 C313 1.41(2) . ?
C313 C314 1.39(2) . ?
C314 C315 1.34(2) . ?
C315 C316 1.39(2) . ?
C321 C326 1.33(3) . ?
C321 C322 1.43(2) . ?
C322 C323 1.42(3) . ?
C323 C324 1.37(3) . ?
C324 C325 1.45(4) . ?
C325 C326 1.40(3) . ?
C331 C332 1.39(2) . ?
C331 C336 1.43(2) . ?
C332 C333 1.36(2) . ?
C333 C334 1.37(2) . ?
C334 C335 1.32(2) . ?
C335 C336 1.34(2) . ?
C411 C412 1.38(2) . ?
C411 C416 1.43(2) . ?
C412 C413 1.36(2) . ?
C413 C414 1.39(2) . ?
C414 C415 1.35(2) . ?
C415 C416 1.41(2) . ?
C421 C426 1.39(2) . ?
C421 C422 1.40(2) . ?
C422 C423 1.42(2) . ?
C423 C424 1.35(2) . ?
C424 C425 1.41(2) . ?
C425 C426 1.36(2) . ?
C431 C432 1.35(2) . ?
C431 C436 1.40(2) . ?
C432 C433 1.38(2) . ?
C433 C434 1.32(2) . ?
C434 C435 1.41(2) . ?
C435 C436 1.33(2) . ?
C511 C516 1.41(2) . ?
C511 C512 1.44(2) . ?
C512 C513 1.37(2) . ?
C513 C514 1.43(3) . ?
C514 C515 1.33(2) . ?
C515 C516 1.40(2) . ?
C521 C526 1.36(3) . ?
C521 C522 1.41(3) . ?
C522 C523 1.41(3) . ?
C523 C524 1.39(3) . ?
C524 C525 1.28(3) . ?
C525 C526 1.43(3) . ?
C531 C536 1.39(2) . ?
C531 C532 1.43(2) . ?
C532 C533 1.38(2) . ?
C533 C534 1.38(2) . ?
C534 C535 1.43(2) . ?
C535 C536 1.31(2) . ?
C611 C612 1.40(2) . ?
C611 C616 1.43(2) . ?
C612 C613 1.40(2) . ?
C613 C614 1.36(2) . ?
C614 C615 1.46(3) . ?
C615 C616 1.31(3) . ?
C621 C626 1.36(2) . ?
C621 C622 1.37(2) . ?
C622 C623 1.36(2) . ?
C623 C624 1.38(2) . ?
C624 C625 1.35(2) . ?
C625 C626 1.38(2) . ?
C631 C632 1.35(2) . ?
C631 C636 1.39(2) . ?
C632 C633 1.32(2) . ?
C633 C634 1.32(3) . ?
C634 C635 1.37(3) . ?
C635 C636 1.44(3) . ?
C711 C712 1.381(19) . ?
C711 C716 1.39(2) . ?
C712 C713 1.38(2) . ?
C713 C714 1.35(2) . ?
C714 C715 1.42(3) . ?
C715 C716 1.41(2) . ?
C721 C726 1.38(2) . ?
C721 C722 1.42(2) . ?
C722 C723 1.40(2) . ?
C723 C724 1.378(19) . ?
C724 C725 1.42(2) . ?
C725 C726 1.39(2) . ?
C731 C732 1.39(2) . ?
C731 C736 1.39(2) . ?
C732 C733 1.39(2) . ?
C733 C734 1.32(2) . ?
C734 C735 1.38(2) . ?
C735 C736 1.50(2) . ?
C811 C812 1.39(2) . ?
C811 C816 1.421(19) . ?
C812 C813 1.37(2) . ?
C813 C814 1.41(2) . ?
C814 C815 1.37(3) . ?
C815 C816 1.38(2) . ?
C821 C826 1.35(2) . ?
C821 C822 1.44(2) . ?
C822 C823 1.35(2) . ?
C823 C824 1.46(2) . ?
C824 C825 1.40(2) . ?
C825 C826 1.35(2) . ?
C831 C832 1.32(2) . ?
C831 C836 1.40(2) . ?
C832 C833 1.41(2) . ?
C833 C834 1.36(2) . ?
C834 C835 1.39(2) . ?
C835 C836 1.38(2) . ?
C4E C703 1.52(3) . ?
C701 C702 1.53(5) . ?
C703 C702 1.51(4) . ?
C304 C303 1.46(2) . ?
C201 C202 1.48(3) . ?
C202 C203 1.48(3) . ?
C203 C204 1.43(3) . ?
C303 C302 1.52(3) . ?
C301 C302 1.47(3) . ?
C404 C403 1.52(4) . ?
C403 C402 1.58(4) . ?
C402 C401 1.45(4) . ?
C501 C502 1.42(4) . ?
C502 C503 1.44(4) . ?
C503 C504 1.42(5) . ?
C104 C103 1.46(2) . ?
C103 C102 1.49(2) . ?
C102 C101 1.45(2) . ?
C602 C603 1.45(4) . ?
C602 C601 1.47(6) . ?
C604 C603 1.39(4) . ?
O9 C904 1.35(2) . ?
O9 C901 1.43(2) . ?
C904 C903 1.45(3) . ?
C903 C902 1.48(3) . ?
C902 C901 1.44(2) . ?
O8 C801 1.34(2) . ?
O8 C804 1.40(2) . ?
C801 C802 1.43(2) . ?
C802 C803 1.47(3) . ?
C803 C804 1.44(2) . ?
O10 C91 1.34(2) . ?
O10 C94 1.44(2) . ?
C91 C92 1.43(3) . ?
C92 C93 1.47(3) . ?
C93 C94 1.43(2) . ?
