#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/27/4312792.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_4312792
loop_
_publ_author_name
'Christopher J. Blake'
'Vernon C. Cook'
'Max A. Keniry'
'Heather J. Kitto'
'A. David Rae'
'Gerhard F. Swiegers'
'Anthony C. Willis'
'Johann Zank'
'S. Bruce Wild'
_publ_contact_author_address
;
Research School of Chemistry,
Australian National University,
Canberra, A. C. T. 0200, Australia
;
_publ_contact_author_email       ' willis@rsc.anu.edu.au '
_publ_contact_author_fax         ' 61 2 6125 0750 '
_publ_contact_author_name        ' Anthony C. Willis '
_publ_contact_author_phone       ' 61 2 6125 4109 '
_publ_section_title
;
 Diastereoselectivity and Molecular Recognition in the Self-Assembly of
 Double-Stranded Dinuclear Metal Complexes of the Type
 [M2{(R*,S*)-tetraphos}2](PF6)2 (M = Ag and Au)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8709
_journal_page_last               8715
_journal_paper_doi               10.1021/ic0348704
_journal_volume                  42
_journal_year                    2003
_chemical_absolute_configuration unk
_chemical_formula_moiety         'C84 H84 Au2 P8 2+ , 2(F6 P -)'
_chemical_formula_sum            'C84 H84 Au2 F12 P10'
_chemical_formula_weight         2025.24
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2c'
_symmetry_space_group_name_H-M   'P 1 1 21'
_audit_creation_date             2000-01-26
_audit_creation_method           'by teXsan v1.8'
_audit_update_record
;
meso-P4_/_Au_/_PF6
1997-06-25 - Report on C84 H84 Au2 F12 P10
             by Anthony C. Willis and A. David Rae
             for S. Bruce Wild
2002-05-17 - acw  compiles cif
2002-05-17 - passes checkcif tests with warnings
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   24.385(4)
_cell_length_b                   14.820(4)
_cell_length_c                   46.175(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    193.2
_cell_measurement_theta_max      53.8
_cell_measurement_theta_min      45.4
_cell_volume                     16687(5)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan (MSC, 1992-1997)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
_computing_structure_refinement  'RAELS96 (Rae, 1996)'
_computing_structure_solution
;
SIR92 (Altomare, et. al. 1994)
;
_diffrn_ambient_temperature      193.2
_diffrn_measured_fraction_theta_full 0.53
_diffrn_measured_fraction_theta_max 0.53
_diffrn_measurement_device_type  'Rigaku AFC6R'
_diffrn_measurement_method       ω-2θ
_diffrn_orient_matrix_UB_11      0.03261
_diffrn_orient_matrix_UB_12      0.02569
_diffrn_orient_matrix_UB_13      -0.01022
_diffrn_orient_matrix_UB_21      -0.02135
_diffrn_orient_matrix_UB_22      0.00202
_diffrn_orient_matrix_UB_23      -0.01848
_diffrn_orient_matrix_UB_31      -0.01275
_diffrn_orient_matrix_UB_32      0.06236
_diffrn_orient_matrix_UB_33      0.00481
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.00000
_diffrn_reflns_av_sigmaI/netI    0.110
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       51
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            13497
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        60
_diffrn_reflns_theta_max         60.04
_diffrn_reflns_theta_min         2
_diffrn_standards_decay_%        0.18
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.816
_exptl_absorpt_correction_T_max  .262
_exptl_absorpt_correction_T_min  .136
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
;
ψ scans (North,Phillips & Matthews, 1968)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.612
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             8032.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.26
_refine_diff_density_min         -.94
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.75
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     643
_refine_ls_number_reflns         9548
_refine_ls_R_factor_gt           0.085
_refine_ls_shift/su_max          0.3
_refine_ls_shift/su_mean         0.04
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.0025|Fo|²]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.118
_reflns_number_gt                9528
_reflns_number_total             13497
_reflns_threshold_expression     I>3.00σ(I)
_cod_data_source_file            ic0348704si20030724_024536_1.cif
_cod_data_source_block           vcc7
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        16687(4)
_cod_original_sg_symbol_H-M      'P 1 1 21 '
_cod_original_formula_sum        'C84 H84 Au2 F12 P10 '
_cod_database_code               4312792
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_refinement_flags
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
Au16 0.4052(1) 0.6079(2) 0.6089(1) 0.0177(2) 1.0 . Uani d ?
Au26 0.2942(1) 0.2188(2) 0.6349(1) 0.0194(2) 1.0 . Uani d ?
P16 0.4582(4) 0.6857(7) 0.6447(2) 0.022(1) 1.0 . Uani d ?
P26 0.4674(4) 0.4839(6) 0.6141(3) 0.021(2) 1.0 . Uani d ?
P36 0.3793(3) 0.2521(9) 0.6586(3) 0.023(2) 1.0 . Uani d ?
P46 0.2563(5) 0.2225(8) 0.6835(1) 0.023(2) 1.0 . Uani d ?
P56 0.3701(5) 0.6591(7) 0.5629(1) 0.018(1) 1.0 . Uani d ?
P66 0.3099(2) 0.6048(7) 0.6205(2) 0.012(1) 1.0 . Uani d ?
P76 0.2567(5) 0.3185(6) 0.5991(2) 0.017(1) 1.0 . Uani d ?
P86 0.2928(5) 0.1005(5) 0.5992(2) 0.016(1) 1.0 . Uani d ?
C16 0.4916(16) 0.5921(20) 0.6650(7) 0.014(5) 1.0 . Uiso d ?
C26 0.5139(14) 0.5275(31) 0.6416(8) 0.026(6) 1.0 . Uiso d ?
C36 0.4422(18) 0.3677(14) 0.6213(8) 0.013(4) 1.0 . Uiso d ?
C46 0.4101(19) 0.3629(17) 0.6495(9) 0.020(5) 1.0 . Uiso d ?
C56 0.3631(16) 0.2473(22) 0.6970(4) 0.016(5) 1.0 . Uiso d ?
C66 0.3157(9) 0.1839(24) 0.7055(8) 0.016(5) 1.0 . Uiso d ?
C76 0.3003(9) 0.7089(24) 0.5655(8) 0.008(4) 1.0 . Uiso d ?
C86 0.2733(12) 0.6603(19) 0.5913(6) 0.013(4) 1.0 . Uiso d ?
C96 0.2733(14) 0.4954(15) 0.6175(7) 0.003(4) 1.0 . Uiso d ?
C106 0.2805(15) 0.4347(12) 0.5911(7) 0.002(4) 1.0 . Uiso d ?
C116 0.2820(17) 0.2682(19) 0.5657(5) 0.010(5) 1.0 . Uiso d ?
C126 0.2714(16) 0.1656(19) 0.5665(5) 0.007(5) 1.0 . Uiso d ?
C136 0.5171(5) 0.7557(9) 0.6357(3) 0.022(1) 1.0 . Uani d ?
C146 0.5276(9) 0.7790(19) 0.6073(3) 0.024(2) 1.0 . Uani d ?
C156 0.5728(10) 0.8327(22) 0.6004(5) 0.024(3) 1.0 . Uani d ?
C166 0.6066(9) 0.8619(17) 0.6222(5) 0.025(4) 1.0 . Uani d ?
C176 0.5970(9) 0.8397(22) 0.6505(5) 0.029(4) 1.0 . Uani d ?
C186 0.5518(8) 0.7859(19) 0.6573(3) 0.027(2) 1.0 . Uani d ?
C196 0.4228(6) 0.7709(9) 0.6661(3) 0.027(2) 1.0 . Uani d ?
C206 0.3760(10) 0.8120(18) 0.6555(5) 0.045(4) 1.0 . Uani d ?
C216 0.3489(12) 0.8774(21) 0.6719(6) 0.061(8) 1.0 . Uani d ?
C226 0.3692(12) 0.9003(18) 0.6985(6) 0.056(7) 1.0 . Uani d ?
C236 0.4154(12) 0.8606(23) 0.7094(6) 0.049(4) 1.0 . Uani d ?
C246 0.4426(10) 0.7951(20) 0.6930(4) 0.037(2) 1.0 . Uani d ?
C256 0.5131(6) 0.4603(10) 0.5838(3) 0.025(2) 1.0 . Uani d ?
C266 0.5507(10) 0.5243(16) 0.5749(6) 0.026(3) 1.0 . Uani d ?
C276 0.5858(12) 0.5062(22) 0.5517(7) 0.036(6) 1.0 . Uani d ?
C286 0.5825(12) 0.4245(22) 0.5380(5) 0.049(9) 1.0 . Uani d ?
C296 0.5455(13) 0.3603(19) 0.5464(6) 0.050(7) 1.0 . Uani d ?
C306 0.5104(11) 0.3784(13) 0.5696(5) 0.035(3) 1.0 . Uani d ?
C316 0.4361(6) 0.1731(12) 0.6616(4) 0.027(2) 1.0 . Uani d ?
C326 0.4844(7) 0.1989(20) 0.6749(8) 0.040(3) 1.0 . Uani d ?
C336 0.5281(9) 0.1382(26) 0.6771(9) 0.052(5) 1.0 . Uani d ?
C346 0.5224(12) 0.0531(23) 0.6660(8) 0.047(6) 1.0 . Uani d ?
C356 0.4750(14) 0.0261(17) 0.6527(9) 0.043(5) 1.0 . Uani d ?
C366 0.4314(11) 0.0868(13) 0.6505(7) 0.034(3) 1.0 . Uani d ?
C376 0.2041(8) 0.1458(12) 0.6973(3) 0.032(2) 1.0 . Uani d ?
C386 0.2179(14) 0.0584(12) 0.7047(7) 0.043(3) 1.0 . Uani d ?
C396 0.1779(18) -0.0005(18) 0.7153(8) 0.066(5) 1.0 . Uani d ?
C406 0.1250(16) 0.0294(27) 0.7182(7) 0.078(7) 1.0 . Uani d ?
C416 0.1105(11) 0.1156(30) 0.7109(9) 0.070(8) 1.0 . Uani d ?
C426 0.1505(7) 0.1745(22) 0.7003(8) 0.046(5) 1.0 . Uani d ?
C436 0.2342(6) 0.3350(9) 0.6942(3) 0.029(2) 1.0 . Uani d ?
C446 0.1950(12) 0.3804(14) 0.6781(7) 0.034(4) 1.0 . Uani d ?
C456 0.1781(15) 0.4667(15) 0.6863(9) 0.047(8) 1.0 . Uani d ?
C466 0.2006(13) 0.5058(11) 0.7104(8) 0.058(10) 1.0 . Uani d ?
C476 0.2394(13) 0.4622(13) 0.7266(6) 0.057(7) 1.0 . Uani d ?
C486 0.2564(10) 0.3759(12) 0.7184(4) 0.040(3) 1.0 . Uani d ?
C496 0.3554(5) 0.5630(9) 0.5396(3) 0.020(2) 1.0 . Uani d ?
C506 0.3945(8) 0.4968(12) 0.5353(5) 0.021(3) 1.0 . Uani d ?
C516 0.3832(11) 0.4230(14) 0.5174(6) 0.026(5) 1.0 . Uani d ?
C526 0.3331(10) 0.4171(15) 0.5043(6) 0.033(6) 1.0 . Uani d ?
C536 0.2937(9) 0.4817(19) 0.5082(7) 0.035(5) 1.0 . Uani d ?
C546 0.3050(7) 0.5555(16) 0.5261(6) 0.027(3) 1.0 . Uani d ?
C556 0.4101(6) 0.7298(9) 0.5385(3) 0.021(1) 1.0 . Uani d ?
C566 0.3867(10) 0.8051(15) 0.5259(6) 0.033(2) 1.0 . Uani d ?
C576 0.4173(13) 0.8594(18) 0.5072(7) 0.045(3) 1.0 . Uani d ?
C586 0.4707(13) 0.8371(19) 0.5015(6) 0.040(5) 1.0 . Uani d ?
C596 0.4947(10) 0.7629(21) 0.5138(7) 0.030(5) 1.0 . Uani d ?
C606 0.4641(7) 0.7086(17) 0.5325(6) 0.024(3) 1.0 . Uani d ?
C616 0.2863(6) 0.6538(10) 0.6545(3) 0.017(2) 1.0 . Uani d ?
C626 0.3138(11) 0.6359(22) 0.6800(3) 0.031(5) 1.0 . Uani d ?
C636 0.2957(15) 0.6735(26) 0.7060(3) 0.046(7) 1.0 . Uani d ?
C646 0.2505(15) 0.7282(21) 0.7060(5) 0.046(5) 1.0 . Uani d ?
C656 0.2227(14) 0.7469(22) 0.6810(6) 0.040(3) 1.0 . Uani d ?
C666 0.2408(10) 0.7093(18) 0.6549(4) 0.027(2) 1.0 . Uani d ?
C676 0.1828(5) 0.3347(9) 0.5992(3) 0.020(2) 1.0 . Uani d ?
C686 0.1490(6) 0.2739(15) 0.6132(5) 0.025(3) 1.0 . Uani d ?
C696 0.0922(6) 0.2863(21) 0.6133(7) 0.035(5) 1.0 . Uani d ?
C706 0.0705(6) 0.3594(21) 0.5992(6) 0.039(4) 1.0 . Uani d ?
C716 0.1030(7) 0.4204(19) 0.5852(7) 0.035(2) 1.0 . Uani d ?
C726 0.1598(7) 0.4079(14) 0.5851(5) 0.025(2) 1.0 . Uani d ?
C736 0.3561(5) 0.0443(9) 0.5887(3) 0.019(1) 1.0 . Uani d ?
C746 0.3912(8) 0.0845(16) 0.5690(6) 0.033(2) 1.0 . Uani d ?
C756 0.4398(9) 0.0414(21) 0.5609(7) 0.043(3) 1.0 . Uani d ?
C766 0.4522(8) -0.0409(19) 0.5727(6) 0.035(5) 1.0 . Uani d ?
C776 0.4181(10) -0.0819(16) 0.5922(6) 0.033(5) 1.0 . Uani d ?
C786 0.3695(8) -0.0388(12) 0.6003(5) 0.027(3) 1.0 . Uani d ?
C796 0.2414(6) 0.0132(8) 0.6047(4) 0.020(1) 1.0 . Uani d ?
C806 0.2345(12) -0.0545(14) 0.5844(6) 0.026(2) 1.0 . Uani d ?
C816 0.1950(13) -0.1215(16) 0.5886(8) 0.036(4) 1.0 . Uani d ?
C826 0.1633(11) -0.1194(17) 0.6130(8) 0.045(5) 1.0 . Uani d ?
C836 0.1693(13) -0.0532(22) 0.6334(8) 0.053(6) 1.0 . Uani d ?
C846 0.2088(11) 0.0138(18) 0.6292(6) 0.037(4) 1.0 . Uani d ?
Au17 0.6152(1) 0.4001(2) 0.3914(1) 0.0177(2) 1.0 . Uani d ?
Au27 0.7276(1) 0.7897(2) 0.3655(1) 0.0194(2) 1.0 . Uani d ?
P17 0.5606(4) 0.3272(7) 0.3552(2) 0.022(1) 1.0 . Uani d ?
P27 0.5499(4) 0.5204(6) 0.3885(3) 0.021(2) 1.0 . Uani d ?
P37 0.6452(3) 0.7429(8) 0.3414(3) 0.023(2) 1.0 . Uani d ?
P47 0.7734(5) 0.8055(7) 0.3191(2) 0.023(2) 1.0 . Uani d ?
P57 0.6437(5) 0.3482(7) 0.4386(1) 0.018(1) 1.0 . Uani d ?
P67 0.7104(2) 0.4137(7) 0.3803(2) 0.012(1) 1.0 . Uani d ?
P77 0.7607(5) 0.6950(6) 0.4038(2) 0.017(1) 1.0 . Uani d ?
P87 0.7331(5) 0.9106(5) 0.4002(2) 0.016(1) 1.0 . Uani d ?
C17 0.5334(17) 0.4260(19) 0.3348(7) 0.014(5) 1.0 . Uiso d ?
C27 0.5054(14) 0.4748(31) 0.3603(7) 0.026(6) 1.0 . Uiso d ?
C37 0.5748(18) 0.6300(16) 0.3742(9) 0.013(4) 1.0 . Uiso d ?
C47 0.6102(18) 0.6331(17) 0.3470(9) 0.020(5) 1.0 . Uiso d ?
C57 0.6679(17) 0.7330(26) 0.3041(5) 0.016(5) 1.0 . Uiso d ?
C67 0.7118(11) 0.8028(26) 0.2954(8) 0.016(5) 1.0 . Uiso d ?
C77 0.7063(10) 0.2847(17) 0.4278(9) 0.008(4) 1.0 . Uiso d ?
C87 0.7405(11) 0.3538(22) 0.4106(7) 0.013(4) 1.0 . Uiso d ?
C97 0.7363(15) 0.5310(12) 0.3830(7) 0.003(4) 1.0 . Uiso d ?
C107 0.7253(14) 0.5862(14) 0.4103(7) 0.002(4) 1.0 . Uiso d ?
C117 0.7384(16) 0.7492(19) 0.4372(5) 0.010(5) 1.0 . Uiso d ?
C127 0.7604(15) 0.8452(20) 0.4315(6) 0.007(5) 1.0 . Uiso d ?
C137 0.5045(5) 0.2532(9) 0.3657(3) 0.022(1) 1.0 . Uani d ?
C147 0.4977(9) 0.2283(16) 0.3943(3) 0.025(2) 1.0 . Uani d ?
C157 0.4546(10) 0.1714(18) 0.4024(4) 0.026(3) 1.0 . Uani d ?
C167 0.4192(9) 0.1408(16) 0.3816(6) 0.025(5) 1.0 . Uani d ?
C177 0.4251(10) 0.1645(21) 0.3531(5) 0.028(4) 1.0 . Uani d ?
C187 0.4682(9) 0.2213(18) 0.3451(4) 0.026(2) 1.0 . Uani d ?
C197 0.6008(6) 0.2732(10) 0.3269(3) 0.028(2) 1.0 . Uani d ?
C207 0.6397(11) 0.2089(17) 0.3339(5) 0.040(3) 1.0 . Uani d ?
C217 0.6706(13) 0.1674(22) 0.3122(7) 0.055(6) 1.0 . Uani d ?
C227 0.6619(12) 0.1911(23) 0.2839(7) 0.061(9) 1.0 . Uani d ?
C237 0.6236(13) 0.2545(27) 0.2765(4) 0.063(12) 1.0 . Uani d ?
C247 0.5928(11) 0.2960(21) 0.2982(2) 0.045(7) 1.0 . Uani d ?
C257 0.5021(6) 0.5476(10) 0.4175(3) 0.025(2) 1.0 . Uani d ?
C267 0.4705(12) 0.4806(14) 0.4300(6) 0.026(3) 1.0 . Uani d ?
C277 0.4339(13) 0.5015(21) 0.4523(7) 0.036(6) 1.0 . Uani d ?
C287 0.4296(12) 0.5889(22) 0.4616(6) 0.050(9) 1.0 . Uani d ?
C297 0.4605(16) 0.6563(18) 0.4495(8) 0.051(8) 1.0 . Uani d ?
C307 0.4971(13) 0.6354(12) 0.4273(7) 0.036(4) 1.0 . Uani d ?
C317 0.5858(5) 0.8163(11) 0.3379(3) 0.027(2) 1.0 . Uani d ?
C327 0.5406(5) 0.7887(18) 0.3222(5) 0.041(3) 1.0 . Uani d ?
C337 0.4950(7) 0.8451(23) 0.3195(6) 0.054(6) 1.0 . Uani d ?
C347 0.4956(9) 0.9279(21) 0.3326(7) 0.049(6) 1.0 . Uani d ?
C357 0.5398(12) 0.9566(16) 0.3483(8) 0.044(5) 1.0 . Uani d ?
C367 0.5854(9) 0.9002(12) 0.3510(6) 0.034(3) 1.0 . Uani d ?
C377 0.8119(7) 0.9056(9) 0.3087(3) 0.032(2) 1.0 . Uani d ?
C387 0.7847(10) 0.9846(10) 0.3018(7) 0.044(4) 1.0 . Uani d ?
C397 0.8143(14) 1.0614(11) 0.2938(8) 0.067(7) 1.0 . Uani d ?
C407 0.8703(14) 1.0576(15) 0.2930(6) 0.080(6) 1.0 . Uani d ?
C417 0.8981(10) 0.9802(18) 0.2998(9) 0.072(6) 1.0 . Uani d ?
C427 0.8685(7) 0.9033(14) 0.3077(7) 0.047(3) 1.0 . Uani d ?
C437 0.8089(6) 0.7121(10) 0.3017(3) 0.029(2) 1.0 . Uani d ?
C447 0.8322(13) 0.7231(16) 0.2747(4) 0.040(6) 1.0 . Uani d ?
C457 0.8595(15) 0.6514(20) 0.2613(6) 0.057(12) 1.0 . Uani d ?
C467 0.8628(11) 0.5702(18) 0.2753(7) 0.061(12) 1.0 . Uani d ?
C477 0.8401(15) 0.5577(13) 0.3021(7) 0.049(8) 1.0 . Uani d ?
C487 0.8128(13) 0.6294(11) 0.3154(5) 0.035(4) 1.0 . Uani d ?
C497 0.6598(6) 0.4442(9) 0.4616(3) 0.020(2) 1.0 . Uani d ?
C507 0.6221(9) 0.5131(12) 0.4652(6) 0.022(3) 1.0 . Uani d ?
C517 0.6345(13) 0.5868(13) 0.4829(7) 0.027(5) 1.0 . Uani d ?
C527 0.6843(13) 0.5901(15) 0.4965(6) 0.034(6) 1.0 . Uani d ?
C537 0.7221(12) 0.5228(19) 0.4933(7) 0.036(6) 1.0 . Uani d ?
C547 0.7098(8) 0.4490(16) 0.4756(6) 0.027(3) 1.0 . Uani d ?
C557 0.6063(7) 0.2710(9) 0.4620(2) 0.022(1) 1.0 . Uani d ?
C567 0.6326(10) 0.1977(13) 0.4742(5) 0.035(2) 1.0 . Uani d ?
C577 0.6038(14) 0.1385(15) 0.4922(6) 0.048(3) 1.0 . Uani d ?
C587 0.5495(13) 0.1539(18) 0.4976(5) 0.043(5) 1.0 . Uani d ?
C597 0.5226(10) 0.2260(21) 0.4857(7) 0.032(5) 1.0 . Uani d ?
C607 0.5513(7) 0.2852(17) 0.4677(6) 0.024(3) 1.0 . Uani d ?
C617 0.7333(5) 0.3851(10) 0.3439(3) 0.016(2) 1.0 . Uani d ?
C627 0.7027(10) 0.4109(22) 0.3201(3) 0.031(5) 1.0 . Uani d ?
C637 0.7203(14) 0.3889(27) 0.2922(3) 0.045(8) 1.0 . Uani d ?
C647 0.7681(13) 0.3417(21) 0.2887(4) 0.039(6) 1.0 . Uani d ?
C657 0.7990(12) 0.3155(21) 0.3119(4) 0.031(3) 1.0 . Uani d ?
C667 0.7814(9) 0.3375(18) 0.3398(4) 0.022(2) 1.0 . Uani d ?
C677 0.8338(5) 0.6710(9) 0.4050(3) 0.020(1) 1.0 . Uani d ?
C687 0.8705(6) 0.7253(16) 0.3903(5) 0.026(3) 1.0 . Uani d ?
C697 0.9266(6) 0.7069(22) 0.3912(7) 0.035(4) 1.0 . Uani d ?
C707 0.9448(6) 0.6346(22) 0.4070(6) 0.039(4) 1.0 . Uani d ?
C717 0.9093(8) 0.5800(19) 0.4218(7) 0.035(2) 1.0 . Uani d ?
C727 0.8532(7) 0.5984(14) 0.4208(6) 0.025(2) 1.0 . Uani d ?
C737 0.6691(5) 0.9638(8) 0.4111(2) 0.019(1) 1.0 . Uani d ?
C747 0.6332(8) 0.9191(16) 0.4294(6) 0.033(2) 1.0 . Uani d ?
C757 0.5841(8) 0.9600(21) 0.4377(6) 0.043(3) 1.0 . Uani d ?
C767 0.5719(7) 1.0445(18) 0.4277(6) 0.035(4) 1.0 . Uani d ?
C777 0.6067(9) 1.0899(14) 0.4096(8) 0.033(5) 1.0 . Uani d ?
C787 0.6559(8) 1.0490(10) 0.4012(7) 0.027(3) 1.0 . Uani d ?
C797 0.7802(6) 1.0055(8) 0.3976(4) 0.020(1) 1.0 . Uani d ?
C807 0.7842(12) 1.0669(13) 0.4200(5) 0.028(3) 1.0 . Uani d ?
C817 0.8204(14) 1.1398(16) 0.4180(7) 0.037(4) 1.0 . Uani d ?
C827 0.8518(12) 1.1495(16) 0.3937(8) 0.041(5) 1.0 . Uani d ?
C837 0.8485(14) 1.0895(21) 0.3712(8) 0.046(5) 1.0 . Uani d ?
C847 0.8124(12) 1.0167(18) 0.3732(6) 0.033(3) 1.0 . Uani d ?
P96 0.1548(5) 0.6558(7) 0.5180(2) 0.028(3) 1.0 . Uani d ?
F16 0.0999(6) 0.6004(11) 0.5219(5) 0.042(3) 1.0 . Uani d ?
F26 0.1308(9) 0.7338(10) 0.5376(3) 0.056(5) 1.0 . Uani d ?
F36 0.1301(9) 0.7031(11) 0.4902(3) 0.045(4) 1.0 . Uani d ?
F46 0.2097(6) 0.7112(13) 0.5140(5) 0.059(4) 1.0 . Uani d ?
F56 0.1789(8) 0.5779(10) 0.4984(4) 0.048(4) 1.0 . Uani d ?
F66 0.1796(8) 0.6086(12) 0.5458(3) 0.061(2) 1.0 . Uani d ?
P97 0.8721(5) 0.3548(7) 0.4767(2) 0.028(3) 1.0 . Uani d ?
F17 0.8186(6) 0.2957(12) 0.4801(5) 0.058(5) 1.0 . Uani d ?
F27 0.8427(8) 0.4361(11) 0.4924(4) 0.047(4) 1.0 . Uani d ?
F37 0.8506(8) 0.3904(14) 0.4465(3) 0.064(4) 1.0 . Uani d ?
F47 0.9257(6) 0.4139(12) 0.4732(4) 0.043(3) 1.0 . Uani d ?
F57 0.9016(8) 0.2735(11) 0.4609(4) 0.053(5) 1.0 . Uani d ?
F67 0.8937(9) 0.3192(13) 0.5068(3) 0.046(2) 1.0 . Uani d ?
P106 0.4322(8) 0.4526(10) 0.7498(3) 0.062(10) 1.0 . Uani d ?
F76 0.3872(11) 0.3759(15) 0.7512(5) 0.092(12) 1.0 . Uani d ?
F86 0.4745(11) 0.3831(20) 0.7365(6) 0.126(13) 1.0 . Uani d ?
F96 0.4519(12) 0.4267(18) 0.7813(4) 0.079(9) 1.0 . Uani d ?
F106 0.4772(11) 0.5292(18) 0.7484(6) 0.123(18) 1.0 . Uani d ?
F116 0.3899(12) 0.5221(15) 0.7631(7) 0.148(15) 1.0 . Uani d ?
F126 0.4125(13) 0.4785(19) 0.7183(4) 0.122(16) 1.0 . Uani d ?
P116 0.0796(7) 0.7141(9) 0.7464(3) 0.061(7) 1.0 . Uani d ?
F136 0.1385(9) 0.7564(20) 0.7420(5) 0.107(11) 1.0 . Uani d ?
F146 0.1065(14) 0.6238(13) 0.7577(5) 0.146(7) 1.0 . Uani d ?
F156 0.0810(13) 0.6762(15) 0.7144(3) 0.106(14) 1.0 . Uani d ?
F166 0.0206(9) 0.6719(20) 0.7508(6) 0.126(15) 1.0 . Uani d ?
F176 0.0526(14) 0.8044(13) 0.7350(5) 0.099(11) 1.0 . Uani d ?
F186 0.0781(11) 0.7520(13) 0.7784(3) 0.089(10) 1.0 . Uani d ?
Au18 0.9018(1) -0.1022(2) 0.6074(1) 0.0177(2) 1.0 . Uani d ?
Au28 0.7949(1) 0.2868(2) 0.6344(1) 0.0194(2) 1.0 . Uani d ?
P18 0.9556(4) -0.1819(7) 0.6423(2) 0.022(1) 1.0 . Uani d ?
P28 0.9650(4) 0.0196(6) 0.6145(3) 0.021(2) 1.0 . Uani d ?
P38 0.8761(3) 0.2391(8) 0.6594(3) 0.023(2) 1.0 . Uani d ?
P48 0.7534(5) 0.2867(7) 0.6822(2) 0.023(2) 1.0 . Uani d ?
P58 0.8754(5) -0.1545(7) 0.5599(1) 0.018(1) 1.0 . Uani d ?
P68 0.8070(2) -0.0898(7) 0.6193(2) 0.012(1) 1.0 . Uani d ?
P78 0.7611(5) 0.1910(6) 0.5966(2) 0.017(1) 1.0 . Uani d ?
P88 0.7834(5) 0.4006(5) 0.5977(2) 0.016(1) 1.0 . Uani d ?
C18 0.9788(17) -0.0815(19) 0.6633(7) 0.014(5) 1.0 . Uiso d ?
C28 1.0093(15) -0.0110(30) 0.6447(8) 0.026(6) 1.0 . Uiso d ?
C38 0.9446(17) 0.1311(14) 0.6294(8) 0.013(4) 1.0 . Uiso d ?
C48 0.9089(18) 0.1265(16) 0.6564(9) 0.020(5) 1.0 . Uiso d ?
C58 0.8573(17) 0.2192(21) 0.6970(5) 0.016(5) 1.0 . Uiso d ?
C68 0.8143(11) 0.2892(26) 0.7065(7) 0.016(5) 1.0 . Uiso d ?
C78 0.8090(10) -0.2047(21) 0.5715(8) 0.008(4) 1.0 . Uiso d ?
C88 0.7708(12) -0.1449(20) 0.5899(6) 0.013(4) 1.0 . Uiso d ?
C98 0.7740(14) 0.0224(13) 0.6231(7) 0.003(4) 1.0 . Uiso d ?
C108 0.7930(14) 0.0775(13) 0.5971(7) 0.002(4) 1.0 . Uiso d ?
C118 0.7743(17) 0.2502(20) 0.5628(5) 0.010(5) 1.0 . Uiso d ?
C128 0.7528(15) 0.3478(20) 0.5648(6) 0.007(5) 1.0 . Uiso d ?
C138 1.0135(5) -0.2494(8) 0.6301(2) 0.022(1) 1.0 . Uani d ?
C148 1.0178(8) -0.2747(15) 0.6014(3) 0.025(4) 1.0 . Uani d ?
C158 1.0622(9) -0.3265(17) 0.5920(4) 0.026(5) 1.0 . Uani d ?
C168 1.1014(8) -0.3519(16) 0.6116(5) 0.024(2) 1.0 . Uani d ?
C178 1.0980(8) -0.3277(21) 0.6401(5) 0.026(4) 1.0 . Uani d ?
C188 1.0536(7) -0.2759(18) 0.6495(3) 0.026(3) 1.0 . Uani d ?
C198 0.9217(6) -0.2648(9) 0.6652(3) 0.027(2) 1.0 . Uani d ?
C208 0.8759(11) -0.3104(20) 0.6553(5) 0.043(5) 1.0 . Uani d ?
C218 0.8499(13) -0.3740(24) 0.6729(7) 0.059(7) 1.0 . Uani d ?
C228 0.8702(12) -0.3906(18) 0.7000(6) 0.055(7) 1.0 . Uani d ?
C238 0.9154(12) -0.3463(20) 0.7103(4) 0.050(8) 1.0 . Uani d ?
C248 0.9415(10) -0.2827(17) 0.6927(3) 0.038(5) 1.0 . Uani d ?
C258 1.0125(6) 0.0314(10) 0.5844(3) 0.025(2) 1.0 . Uani d ?
C268 1.0381(11) -0.0438(14) 0.5729(6) 0.025(3) 1.0 . Uani d ?
C278 1.0746(13) -0.0348(21) 0.5497(6) 0.033(7) 1.0 . Uani d ?
C288 1.0847(11) 0.0492(23) 0.5386(5) 0.045(8) 1.0 . Uani d ?
C298 1.0599(15) 0.1245(20) 0.5496(7) 0.048(7) 1.0 . Uani d ?
C308 1.0234(13) 0.1155(13) 0.5728(6) 0.035(3) 1.0 . Uani d ?
C318 0.9320(6) 0.3193(12) 0.6638(4) 0.026(2) 1.0 . Uani d ?
C328 0.9801(7) 0.2933(19) 0.6773(8) 0.040(3) 1.0 . Uani d ?
C338 1.0230(9) 0.3549(25) 0.6807(9) 0.051(4) 1.0 . Uani d ?
C348 1.0168(12) 0.4411(23) 0.6705(8) 0.045(4) 1.0 . Uani d ?
C358 0.9696(14) 0.4682(17) 0.6571(9) 0.042(6) 1.0 . Uani d ?
C368 0.9267(11) 0.4066(12) 0.6538(7) 0.034(4) 1.0 . Uani d ?
C378 0.7040(8) 0.3684(12) 0.6958(3) 0.032(2) 1.0 . Uani d ?
C388 0.7209(13) 0.4543(12) 0.7034(6) 0.043(2) 1.0 . Uani d ?
C398 0.6830(18) 0.5171(17) 0.7138(7) 0.065(4) 1.0 . Uani d ?
C408 0.6291(16) 0.4925(26) 0.7165(6) 0.078(4) 1.0 . Uani d ?
C418 0.6116(11) 0.4079(29) 0.7092(8) 0.070(4) 1.0 . Uani d ?
C428 0.6494(7) 0.3452(22) 0.6987(7) 0.046(3) 1.0 . Uani d ?
C438 0.7256(6) 0.1766(9) 0.6917(4) 0.029(2) 1.0 . Uani d ?
C448 0.6883(12) 0.1345(14) 0.6737(7) 0.033(3) 1.0 . Uani d ?
C458 0.6670(14) 0.0500(16) 0.6810(9) 0.046(7) 1.0 . Uani d ?
C468 0.6834(13) 0.0096(12) 0.7062(9) 0.057(11) 1.0 . Uani d ?
C478 0.7202(15) 0.0501(15) 0.7244(7) 0.056(10) 1.0 . Uani d ?
C488 0.7416(12) 0.1345(13) 0.7171(5) 0.040(5) 1.0 . Uani d ?
C498 0.8588(6) -0.0562(9) 0.5380(3) 0.020(1) 1.0 . Uani d ?
C508 0.8907(11) 0.0207(10) 0.5396(6) 0.023(2) 1.0 . Uani d ?
C518 0.8780(14) 0.0963(12) 0.5228(7) 0.029(3) 1.0 . Uani d ?
C528 0.8335(13) 0.0931(15) 0.5047(6) 0.035(3) 1.0 . Uani d ?
C538 0.8014(12) 0.0178(19) 0.5028(7) 0.035(2) 1.0 . Uani d ?
C548 0.8141(10) -0.0577(15) 0.5196(5) 0.027(2) 1.0 . Uani d ?
C558 0.9066(6) -0.2378(9) 0.5361(3) 0.022(2) 1.0 . Uani d ?
C568 0.8747(9) -0.3038(16) 0.5233(6) 0.036(5) 1.0 . Uani d ?
C578 0.8986(13) -0.3678(19) 0.5050(8) 0.051(8) 1.0 . Uani d ?
C588 0.9538(13) -0.3643(17) 0.4999(6) 0.047(7) 1.0 . Uani d ?
C598 0.9862(9) -0.2997(21) 0.5124(6) 0.034(5) 1.0 . Uani d ?
C608 0.9623(6) -0.2357(17) 0.5306(5) 0.025(3) 1.0 . Uani d ?
C618 0.7882(6) -0.1349(10) 0.6546(3) 0.017(2) 1.0 . Uani d ?
C628 0.8160(12) -0.1075(21) 0.6792(3) 0.032(3) 1.0 . Uani d ?
C638 0.8016(16) -0.1421(26) 0.7063(3) 0.048(5) 1.0 . Uani d ?
C648 0.7597(15) -0.2032(22) 0.7082(4) 0.048(7) 1.0 . Uani d ?
C658 0.7316(15) -0.2313(22) 0.6842(5) 0.041(7) 1.0 . Uani d ?
C668 0.7461(11) -0.1967(18) 0.6571(4) 0.027(4) 1.0 . Uani d ?
C678 0.6869(5) 0.1825(9) 0.5935(3) 0.020(2) 1.0 . Uani d ?
C688 0.6534(6) 0.2435(14) 0.6077(5) 0.025(2) 1.0 . Uani d ?
C698 0.5965(6) 0.2370(19) 0.6053(6) 0.034(3) 1.0 . Uani d ?
C708 0.5742(5) 0.1697(20) 0.5888(6) 0.037(5) 1.0 . Uani d ?
C718 0.6065(7) 0.1086(20) 0.5746(7) 0.033(5) 1.0 . Uani d ?
C728 0.6635(6) 0.1151(15) 0.5770(5) 0.024(3) 1.0 . Uani d ?
C738 0.8495(5) 0.4461(9) 0.5867(3) 0.019(1) 1.0 . Uani d ?
C748 0.8862(7) 0.3930(16) 0.5715(5) 0.034(5) 1.0 . Uani d ?
C758 0.9369(7) 0.4279(21) 0.5631(6) 0.045(8) 1.0 . Uani d ?
C768 0.9498(8) 0.5152(20) 0.5699(6) 0.035(4) 1.0 . Uani d ?
C778 0.9141(9) 0.5690(15) 0.5849(9) 0.031(3) 1.0 . Uani d ?
C788 0.8634(8) 0.5340(11) 0.5934(7) 0.026(3) 1.0 . Uani d ?
C798 0.7362(6) 0.4945(8) 0.6026(4) 0.020(2) 1.0 . Uani d ?
C808 0.7254(12) 0.5527(14) 0.5799(5) 0.027(3) 1.0 . Uani d ?
C818 0.6892(14) 0.6248(16) 0.5836(7) 0.036(5) 1.0 . Uani d ?
C828 0.6646(11) 0.6371(16) 0.6100(8) 0.042(6) 1.0 . Uani d ?
C838 0.6747(13) 0.5804(20) 0.6327(7) 0.048(7) 1.0 . Uani d ?
C848 0.7109(12) 0.5083(17) 0.6290(5) 0.034(5) 1.0 . Uani d ?
Au19 1.1134(1) 0.1067(2) 0.3920(1) 0.0177(2) 1.0 . Uani d ?
Au29 1.2295(1) -0.2833(2) 0.3664(1) 0.0194(2) 1.0 . Uani d ?
P19 1.0623(4) 0.1775(7) 0.3541(2) 0.022(1) 1.0 . Uani d ?
P29 1.0551(4) -0.0215(6) 0.3850(3) 0.021(2) 1.0 . Uani d ?
P39 1.1491(4) -0.2377(8) 0.3402(3) 0.023(2) 1.0 . Uani d ?
P49 1.2693(5) -0.2912(7) 0.3183(2) 0.023(2) 1.0 . Uani d ?
P59 1.1450(5) 0.1641(7) 0.4380(1) 0.018(1) 1.0 . Uani d ?
P69 1.2094(2) 0.0992(7) 0.3825(2) 0.012(1) 1.0 . Uani d ?
P79 1.2633(5) -0.1844(6) 0.4034(2) 0.017(1) 1.0 . Uani d ?
P89 1.2334(5) -0.3979(5) 0.4032(2) 0.016(1) 1.0 . Uani d ?
C19 1.0216(16) 0.0820(19) 0.3390(8) 0.014(5) 1.0 . Uiso d ?
C29 1.0049(15) -0.0027(28) 0.3564(8) 0.026(6) 1.0 . Uiso d ?
C39 1.0798(18) -0.1369(14) 0.3764(9) 0.013(4) 1.0 . Uiso d ?
C49 1.1173(18) -0.1283(16) 0.3501(9) 0.020(5) 1.0 . Uiso d ?
C59 1.1740(17) -0.2087(25) 0.3044(5) 0.016(5) 1.0 . Uiso d ?
C69 1.2136(12) -0.2782(26) 0.2910(7) 0.016(5) 1.0 . Uiso d ?
C79 1.2137(9) 0.2105(24) 0.4288(9) 0.008(4) 1.0 . Uiso d ?
C89 1.2524(11) 0.1588(25) 0.4082(7) 0.013(4) 1.0 . Uiso d ?
C99 1.2488(13) -0.0076(14) 0.3794(7) 0.003(4) 1.0 . Uiso d ?
C109 1.2358(14) -0.0679(12) 0.4053(7) 0.002(4) 1.0 . Uiso d ?
C119 1.2564(18) -0.2485(19) 0.4368(5) 0.010(5) 1.0 . Uiso d ?
C129 1.2586(16) -0.3524(18) 0.4384(5) 0.007(5) 1.0 . Uiso d ?
C139 1.0066(5) 0.2567(8) 0.3605(3) 0.023(1) 1.0 . Uani d ?
C149 0.9906(10) 0.2769(17) 0.3885(3) 0.024(3) 1.0 . Uani d ?
C159 0.9478(11) 0.3378(20) 0.3935(5) 0.025(3) 1.0 . Uani d ?
C169 0.9221(8) 0.3771(15) 0.3703(6) 0.027(2) 1.0 . Uani d ?
C179 0.9373(10) 0.3582(17) 0.3425(5) 0.032(6) 1.0 . Uani d ?
C189 0.9801(9) 0.2973(15) 0.3375(4) 0.029(4) 1.0 . Uani d ?
C199 1.1005(6) 0.2449(10) 0.3280(3) 0.027(2) 1.0 . Uani d ?
C209 1.1394(12) 0.3061(19) 0.3375(5) 0.041(4) 1.0 . Uani d ?
C219 1.1688(14) 0.3579(23) 0.3175(7) 0.056(7) 1.0 . Uani d ?
C229 1.1586(13) 0.3473(21) 0.2886(7) 0.057(8) 1.0 . Uani d ?
C239 1.1203(16) 0.2873(26) 0.2787(5) 0.056(8) 1.0 . Uani d ?
C249 1.0909(13) 0.2355(22) 0.2987(3) 0.041(5) 1.0 . Uani d ?
C259 1.0059(6) -0.0357(10) 0.4143(3) 0.025(2) 1.0 . Uani d ?
C269 0.9771(11) 0.0378(14) 0.4248(6) 0.025(3) 1.0 . Uani d ?
C279 0.9394(13) 0.0269(20) 0.4473(7) 0.034(7) 1.0 . Uani d ?
C289 0.9312(12) -0.0572(22) 0.4588(6) 0.046(8) 1.0 . Uani d ?
C299 0.9592(15) -0.1308(19) 0.4488(7) 0.048(7) 1.0 . Uani d ?
C309 0.9970(13) -0.1199(13) 0.4263(6) 0.035(3) 1.0 . Uani d ?
C319 1.0925(6) -0.3149(11) 0.3335(3) 0.026(2) 1.0 . Uani d ?
C329 1.0441(7) -0.2835(18) 0.3215(8) 0.041(3) 1.0 . Uani d ?
C339 1.0007(9) -0.3428(24) 0.3163(9) 0.053(5) 1.0 . Uani d ?
C349 1.0066(11) -0.4321(23) 0.3232(7) 0.045(4) 1.0 . Uani d ?
C359 1.0540(13) -0.4646(16) 0.3350(8) 0.039(5) 1.0 . Uani d ?
C369 1.0975(11) -0.4054(11) 0.3402(7) 0.032(3) 1.0 . Uani d ?
C379 1.3082(8) -0.3889(10) 0.3062(3) 0.032(2) 1.0 . Uani d ?
C389 1.2814(13) -0.4649(10) 0.2961(6) 0.043(3) 1.0 . Uani d ?
C399 1.3113(19) -0.5400(13) 0.2868(7) 0.065(4) 1.0 . Uani d ?
C409 1.3674(19) -0.5373(19) 0.2878(6) 0.079(4) 1.0 . Uani d ?
C419 1.3948(13) -0.4628(25) 0.2976(8) 0.072(4) 1.0 . Uani d ?
C429 1.3649(8) -0.3878(20) 0.3069(7) 0.047(2) 1.0 . Uani d ?
C439 1.3135(6) -0.1996(9) 0.3062(3) 0.029(3) 1.0 . Uani d ?
C449 1.3403(11) -0.2051(17) 0.2799(4) 0.038(6) 1.0 . Uani d ?
C459 1.3742(12) -0.1348(21) 0.2707(6) 0.054(12) 1.0 . Uani d ?
C469 1.3806(12) -0.0606(17) 0.2880(8) 0.057(12) 1.0 . Uani d ?
C479 1.3546(15) -0.0538(15) 0.3141(8) 0.047(8) 1.0 . Uani d ?
C489 1.3206(13) -0.1241(13) 0.3233(6) 0.034(3) 1.0 . Uani d ?
C499 1.1612(6) 0.0681(8) 0.4610(3) 0.020(1) 1.0 . Uani d ?
C509 1.1306(11) -0.0102(10) 0.4592(5) 0.023(2) 1.0 . Uani d ?
C519 1.1431(13) -0.0840(12) 0.4769(7) 0.029(3) 1.0 . Uani d ?
C529 1.1858(12) -0.0776(14) 0.4960(6) 0.034(3) 1.0 . Uani d ?
C539 1.2167(11) -0.0009(17) 0.4981(6) 0.034(2) 1.0 . Uani d ?
C549 1.2042(9) 0.0729(14) 0.4804(5) 0.026(2) 1.0 . Uani d ?
C559 1.1116(6) 0.2429(9) 0.4625(3) 0.022(2) 1.0 . Uani d ?
C569 1.1411(10) 0.3123(16) 0.4750(6) 0.035(4) 1.0 . Uani d ?
C579 1.1154(13) 0.3728(19) 0.4939(8) 0.049(7) 1.0 . Uani d ?
C589 1.0608(13) 0.3624(18) 0.4998(6) 0.044(6) 1.0 . Uani d ?
C599 1.0308(9) 0.2942(20) 0.4876(6) 0.032(5) 1.0 . Uani d ?
C609 1.0565(6) 0.2338(16) 0.4688(5) 0.024(3) 1.0 . Uani d ?
C619 1.2345(6) 0.1330(9) 0.3470(3) 0.016(2) 1.0 . Uani d ?
C629 1.2095(11) 0.1010(22) 0.3222(3) 0.029(3) 1.0 . Uani d ?
C639 1.2288(15) 0.1269(26) 0.2949(3) 0.042(5) 1.0 . Uani d ?
C649 1.2727(14) 0.1843(21) 0.2931(4) 0.039(6) 1.0 . Uani d ?
C659 1.2980(13) 0.2168(21) 0.3174(5) 0.035(5) 1.0 . Uani d ?
C669 1.2787(10) 0.1908(18) 0.3447(4) 0.024(3) 1.0 . Uani d ?
C679 1.3369(5) -0.1646(9) 0.4029(3) 0.020(2) 1.0 . Uani d ?
C689 1.3697(6) -0.2067(17) 0.3825(4) 0.026(2) 1.0 . Uani d ?
C699 1.4262(6) -0.1915(21) 0.3822(6) 0.037(4) 1.0 . Uani d ?
C709 1.4487(6) -0.1346(20) 0.4023(6) 0.040(5) 1.0 . Uani d ?
C719 1.4172(7) -0.0923(20) 0.4227(7) 0.034(5) 1.0 . Uani d ?
C729 1.3607(7) -0.1075(16) 0.4230(5) 0.024(3) 1.0 . Uani d ?
C739 1.1669(5) -0.4476(8) 0.4114(3) 0.018(1) 1.0 . Uani d ?
C749 1.1315(7) -0.4052(17) 0.4304(5) 0.032(5) 1.0 . Uani d ?
C759 1.0805(8) -0.4434(22) 0.4367(7) 0.041(7) 1.0 . Uani d ?
C769 1.0660(7) -0.5230(18) 0.4238(6) 0.031(4) 1.0 . Uani d ?
C779 1.1003(8) -0.5661(16) 0.4049(8) 0.030(4) 1.0 . Uani d ?
C789 1.1513(8) -0.5280(12) 0.3986(7) 0.025(3) 1.0 . Uani d ?
C799 1.2804(6) -0.4928(8) 0.4002(4) 0.020(2) 1.0 . Uani d ?
C809 1.2884(12) -0.5499(14) 0.4235(5) 0.028(4) 1.0 . Uani d ?
C819 1.3246(14) -0.6228(16) 0.4212(7) 0.037(5) 1.0 . Uani d ?
C829 1.3518(11) -0.6368(15) 0.3957(8) 0.041(6) 1.0 . Uani d ?
C839 1.3445(13) -0.5812(20) 0.3724(7) 0.046(7) 1.0 . Uani d ?
C849 1.3084(12) -0.5083(17) 0.3747(5) 0.033(4) 1.0 . Uani d ?
P98 0.6503(5) -0.1416(7) 0.5176(2) 0.028(3) 1.0 . Uani d ?
F18 0.5944(6) -0.0894(13) 0.5220(5) 0.043(3) 1.0 . Uani d ?
F28 0.6277(9) -0.2225(11) 0.5365(4) 0.048(4) 1.0 . Uani d ?
F38 0.6265(9) -0.1876(12) 0.4894(3) 0.050(3) 1.0 . Uani d ?
F48 0.7062(6) -0.1938(13) 0.5132(5) 0.058(5) 1.0 . Uani d ?
F58 0.6728(9) -0.0607(10) 0.4988(4) 0.053(5) 1.0 . Uani d ?
F68 0.6741(8) -0.0956(13) 0.5458(4) 0.055(4) 1.0 . Uani d ?
P99 1.3646(5) 0.1447(7) 0.4829(2) 0.028(3) 1.0 . Uani d ?
F19 1.3095(6) 0.2007(11) 0.4838(5) 0.059(4) 1.0 . Uani d ?
F29 1.3396(9) 0.0747(11) 0.5051(4) 0.058(5) 1.0 . Uani d ?
F39 1.3415(9) 0.0870(12) 0.4569(4) 0.053(2) 1.0 . Uani d ?
F49 1.4198(6) 0.0887(12) 0.4821(5) 0.043(4) 1.0 . Uani d ?
F59 1.3896(8) 0.2148(11) 0.4608(4) 0.049(4) 1.0 . Uani d ?
F69 1.3878(8) 0.2025(12) 0.5090(3) 0.047(4) 1.0 . Uani d ?
P108 0.9308(7) 0.0449(9) 0.7515(3) 0.063(10) 1.0 . Uani d ?
F78 0.9183(13) 0.1465(11) 0.7595(6) 0.103(12) 1.0 . Uani d ?
F88 0.9612(11) 0.0768(19) 0.7230(4) 0.091(9) 1.0 . Uani d ?
F98 0.9867(9) 0.0503(21) 0.7687(6) 0.114(15) 1.0 . Uani d ?
F108 0.9433(14) -0.0568(11) 0.7434(6) 0.161(20) 1.0 . Uani d ?
F118 0.9004(11) 0.0129(19) 0.7799(4) 0.127(15) 1.0 . Uani d ?
F128 0.8750(9) 0.0394(17) 0.7342(6) 0.105(12) 1.0 . Uani d ?
P118 0.5810(7) -0.2192(9) 0.7459(3) 0.063(7) 1.0 . Uani d ?
F138 0.6354(10) -0.2770(18) 0.7474(7) 0.085(9) 1.0 . Uani d ?
F148 0.6047(10) -0.1529(15) 0.7696(5) 0.105(11) 1.0 . Uani d ?
F158 0.6071(14) -0.1588(17) 0.7212(5) 0.132(8) 1.0 . Uani d ?
F168 0.5266(10) -0.1613(19) 0.7443(6) 0.148(19) 1.0 . Uani d ?
F178 0.5573(11) -0.2854(12) 0.7221(4) 0.084(11) 1.0 . Uani d ?
F188 0.5548(14) -0.2795(20) 0.7705(4) 0.130(14) 1.0 . Uani d ?
H1C16 0.4643 0.5604 0.6776 0.014 1.0 . Uiso c ?
H2C16 0.5222 0.6157 0.6773 0.014 1.0 . Uiso c ?
H1C26 0.5438 0.5604 0.6312 0.026 1.0 . Uiso c ?
H2C26 0.5297 0.4742 0.6519 0.026 1.0 . Uiso c ?
H1C36 0.4744 0.3260 0.6225 0.013 1.0 . Uiso c ?
H2C36 0.4179 0.3485 0.6050 0.013 1.0 . Uiso c ?
H1C46 0.4355 0.3798 0.6656 0.020 1.0 . Uiso c ?
H2C46 0.3797 0.4081 0.6483 0.020 1.0 . Uiso c ?
H1C56 0.3532 0.3096 0.7034 0.016 1.0 . Uiso c ?
H2C56 0.3967 0.2269 0.7075 0.016 1.0 . Uiso c ?
H1C66 0.3251 0.1198 0.7008 0.016 1.0 . Uiso c ?
H2C66 0.3074 0.1892 0.7266 0.016 1.0 . Uiso c ?
H1C76 0.2791 0.6977 0.5473 0.008 1.0 . Uiso c ?
H2C76 0.3025 0.7753 0.5691 0.008 1.0 . Uiso c ?
H1C86 0.2498 0.7068 0.6009 0.013 1.0 . Uiso c ?
H2C86 0.2495 0.6126 0.5826 0.013 1.0 . Uiso c ?
H1C96 0.2333 0.5094 0.6189 0.003 1.0 . Uiso c ?
H2C96 0.2846 0.4587 0.6347 0.003 1.0 . Uiso c ?
H1C106 0.2586 0.4597 0.5747 0.002 1.0 . Uiso c ?
H2C106 0.3202 0.4330 0.5857 0.002 1.0 . Uiso c ?
H1C116 0.3222 0.2797 0.5638 0.010 1.0 . Uiso c ?
H2C116 0.2624 0.2953 0.5488 0.010 1.0 . Uiso c ?
H1C126 0.2310 0.1566 0.5642 0.007 1.0 . Uiso c ?
H2C126 0.2910 0.1386 0.5496 0.007 1.0 . Uiso c ?
H1C146 0.5027 0.7573 0.5915 0.029 1.0 . Uani c ?
H1C156 0.5805 0.8497 0.5798 0.028 1.0 . Uani c ?
H1C166 0.6390 0.9003 0.6172 0.026 1.0 . Uani c ?
H1C176 0.6221 0.8616 0.6661 0.037 1.0 . Uani c ?
H1C186 0.5444 0.7693 0.6780 0.033 1.0 . Uani c ?
H1C206 0.3615 0.7948 0.6360 0.059 1.0 . Uani c ?
H1C216 0.3151 0.9072 0.6643 0.091 1.0 . Uani c ?
H1C226 0.3498 0.9471 0.7103 0.072 1.0 . Uani c ?
H1C236 0.4297 0.8782 0.7290 0.066 1.0 . Uani c ?
H1C246 0.4764 0.7657 0.7008 0.048 1.0 . Uani c ?
H1C266 0.5529 0.5837 0.5851 0.025 1.0 . Uani c ?
H1C276 0.6131 0.5523 0.5452 0.038 1.0 . Uani c ?
H1C286 0.6076 0.4116 0.5214 0.062 1.0 . Uani c ?
H1C296 0.5437 0.3010 0.5361 0.066 1.0 . Uani c ?
H1C306 0.4833 0.3318 0.5760 0.038 1.0 . Uani c ?
H1C326 0.4881 0.2612 0.6829 0.053 1.0 . Uani c ?
H1C336 0.5631 0.1567 0.6867 0.075 1.0 . Uani c ?
H1C346 0.5537 0.0097 0.6676 0.059 1.0 . Uani c ?
H1C356 0.4717 -0.0364 0.6448 0.058 1.0 . Uani c ?
H1C366 0.3966 0.0677 0.6409 0.045 1.0 . Uani c ?
H1C386 0.2566 0.0371 0.7025 0.045 1.0 . Uani c ?
H1C396 0.1877 -0.0638 0.7207 0.083 1.0 . Uani c ?
H1C406 0.0964 -0.0127 0.7258 0.105 1.0 . Uani c ?
H1C416 0.0717 0.1363 0.7132 0.092 1.0 . Uani c ?
H1C426 0.1403 0.2377 0.6950 0.049 1.0 . Uani c ?
H1C446 0.1788 0.3512 0.6605 0.034 1.0 . Uani c ?
H1C456 0.1498 0.4996 0.6747 0.055 1.0 . Uani c ?
H1C466 0.1885 0.5676 0.7162 0.075 1.0 . Uani c ?
H1C476 0.2554 0.4918 0.7441 0.074 1.0 . Uani c ?
H1C486 0.2847 0.3434 0.7301 0.043 1.0 . Uani c ?
H1C506 0.4311 0.5018 0.5450 0.022 1.0 . Uani c ?
H1C516 0.4115 0.3751 0.5142 0.029 1.0 . Uani c ?
H1C526 0.3250 0.3643 0.4915 0.041 1.0 . Uani c ?
H1C536 0.2573 0.4762 0.4984 0.046 1.0 . Uani c ?
H1C546 0.2766 0.6031 0.5291 0.030 1.0 . Uani c ?
H1C566 0.3476 0.8208 0.5302 0.041 1.0 . Uani c ?
H1C576 0.4005 0.9139 0.4981 0.065 1.0 . Uani c ?
H1C586 0.4927 0.8760 0.4882 0.050 1.0 . Uani c ?
H1C596 0.5338 0.7477 0.5094 0.036 1.0 . Uani c ?
H1C606 0.4813 0.6542 0.5415 0.027 1.0 . Uani c ?
H1C626 0.3468 0.5958 0.6798 0.041 1.0 . Uani c ?
H1C636 0.3156 0.6606 0.7245 0.069 1.0 . Uani c ?
H1C646 0.2375 0.7551 0.7246 0.062 1.0 . Uani c ?
H1C656 0.1897 0.7870 0.6813 0.058 1.0 . Uani c ?
H1C666 0.2207 0.7225 0.6365 0.036 1.0 . Uani c ?
H1C686 0.1653 0.2208 0.6234 0.027 1.0 . Uani c ?
H1C696 0.0678 0.2424 0.6234 0.043 1.0 . Uani c ?
H1C706 0.0298 0.3683 0.5992 0.050 1.0 . Uani c ?
H1C716 0.0864 0.4734 0.5750 0.043 1.0 . Uani c ?
H1C726 0.1840 0.4522 0.5749 0.027 1.0 . Uani c ?
H1C746 0.3818 0.1446 0.5605 0.049 1.0 . Uani c ?
H1C756 0.4652 0.0703 0.5467 0.068 1.0 . Uani c ?
H1C766 0.4870 -0.0717 0.5669 0.044 1.0 . Uani c ?
H1C776 0.4278 -0.1420 0.6005 0.049 1.0 . Uani c ?
H1C786 0.3443 -0.0682 0.6145 0.041 1.0 . Uani c ?
H1C806 0.2579 -0.0554 0.5666 0.035 1.0 . Uani c ?
H1C816 0.1900 -0.1705 0.5739 0.048 1.0 . Uani c ?
H1C826 0.1350 -0.1674 0.6160 0.060 1.0 . Uani c ?
H1C836 0.1457 -0.0528 0.6511 0.080 1.0 . Uani c ?
H1C846 0.2135 0.0625 0.6440 0.050 1.0 . Uani c ?
H1C17 0.5066 0.4078 0.3195 0.014 1.0 . Uiso c ?
H2C17 0.5633 0.4630 0.3259 0.014 1.0 . Uiso c ?
H1C27 0.4838 0.5261 0.3522 0.026 1.0 . Uiso c ?
H2C27 0.4800 0.4307 0.3698 0.026 1.0 . Uiso c ?
H1C37 0.5966 0.6588 0.3900 0.013 1.0 . Uiso c ?
H2C37 0.5416 0.6674 0.3701 0.013 1.0 . Uiso c ?
H1C47 0.6388 0.5849 0.3485 0.020 1.0 . Uiso c ?
H2C47 0.5863 0.6210 0.3298 0.020 1.0 . Uiso c ?
H1C57 0.6354 0.7410 0.2912 0.016 1.0 . Uiso c ?
H2C57 0.6836 0.6713 0.3013 0.016 1.0 . Uiso c ?
H1C67 0.7240 0.7886 0.2752 0.016 1.0 . Uiso c ?
H2C67 0.6944 0.8639 0.2958 0.016 1.0 . Uiso c ?
H1C77 0.6965 0.2318 0.4154 0.008 1.0 . Uiso c ?
H2C77 0.7268 0.2633 0.4452 0.008 1.0 . Uiso c ?
H1C87 0.7529 0.4007 0.4248 0.013 1.0 . Uiso c ?
H2C87 0.7732 0.3207 0.4029 0.013 1.0 . Uiso c ?
H1C97 0.7202 0.5653 0.3665 0.003 1.0 . Uiso c ?
H2C97 0.7771 0.5280 0.3807 0.003 1.0 . Uiso c ?
H1C107 0.6850 0.5959 0.4130 0.002 1.0 . Uiso c ?
H2C107 0.7407 0.5554 0.4278 0.002 1.0 . Uiso c ?
H1C117 0.7556 0.7211 0.4546 0.010 1.0 . Uiso c ?
H2C117 0.6976 0.7484 0.4393 0.010 1.0 . Uiso c ?
H1C127 0.7528 0.8815 0.4493 0.007 1.0 . Uiso c ?
H2C127 0.8009 0.8398 0.4287 0.007 1.0 . Uiso c ?
H1C147 0.5238 0.2511 0.4093 0.030 1.0 . Uani c ?
H1C157 0.4497 0.1534 0.4231 0.031 1.0 . Uani c ?
H1C167 0.3884 0.1001 0.3873 0.027 1.0 . Uani c ?
H1C177 0.3988 0.1414 0.3382 0.036 1.0 . Uani c ?
H1C187 0.4728 0.2391 0.3243 0.032 1.0 . Uani c ?
H1C207 0.6458 0.1921 0.3547 0.052 1.0 . Uani c ?
H1C217 0.6988 0.1210 0.3173 0.077 1.0 . Uani c ?
H1C227 0.6840 0.1614 0.2684 0.080 1.0 . Uani c ?
H1C237 0.6178 0.2709 0.2557 0.091 1.0 . Uani c ?
H1C247 0.5647 0.3424 0.2930 0.059 1.0 . Uani c ?
H1C267 0.4739 0.4169 0.4231 0.025 1.0 . Uani c ?
H1C277 0.4110 0.4531 0.4613 0.038 1.0 . Uani c ?
H1C287 0.4034 0.6039 0.4775 0.063 1.0 . Uani c ?
H1C297 0.4568 0.7198 0.4566 0.067 1.0 . Uani c ?
H1C307 0.5198 0.6842 0.4183 0.038 1.0 . Uani c ?
H1C327 0.5406 0.7281 0.3126 0.054 1.0 . Uani c ?
H1C337 0.4623 0.8252 0.3081 0.078 1.0 . Uani c ?
H1C347 0.4629 0.9682 0.3307 0.062 1.0 . Uani c ?
H1C357 0.5395 1.0173 0.3577 0.058 1.0 . Uani c ?
H1C367 0.6179 0.9207 0.3624 0.044 1.0 . Uani c ?
H1C387 0.7438 0.9867 0.3025 0.046 1.0 . Uani c ?
H1C397 0.7947 1.1186 0.2888 0.085 1.0 . Uani c ?
H1C407 0.8915 1.1126 0.2873 0.108 1.0 . Uani c ?
H1C417 0.9390 0.9787 0.2990 0.094 1.0 . Uani c ?
H1C427 0.8884 0.8464 0.3127 0.050 1.0 . Uani c ?
H1C447 0.8296 0.7827 0.2646 0.042 1.0 . Uani c ?
H1C457 0.8764 0.6593 0.2417 0.074 1.0 . Uani c ?
H1C467 0.8823 0.5189 0.2658 0.079 1.0 . Uani c ?
H1C477 0.8430 0.4979 0.3120 0.058 1.0 . Uani c ?
H1C487 0.7961 0.6210 0.3350 0.035 1.0 . Uani c ?
H1C507 0.5859 0.5101 0.4551 0.023 1.0 . Uani c ?
H1C517 0.6073 0.6367 0.4855 0.030 1.0 . Uani c ?
H1C527 0.6931 0.6429 0.5092 0.041 1.0 . Uani c ?
H1C537 0.7583 0.5263 0.5035 0.046 1.0 . Uani c ?
H1C547 0.7372 0.3995 0.4731 0.030 1.0 . Uani c ?
H1C567 0.6723 0.1870 0.4702 0.041 1.0 . Uani c ?
H1C577 0.6228 0.0854 0.5011 0.068 1.0 . Uani c ?
H1C587 0.5289 0.1115 0.5105 0.055 1.0 . Uani c ?
H1C597 0.4828 0.2362 0.4899 0.037 1.0 . Uani c ?
H1C607 0.5320 0.3381 0.4590 0.027 1.0 . Uani c ?
H1C627 0.6678 0.4454 0.3228 0.043 1.0 . Uani c ?
H1C637 0.6982 0.4075 0.2749 0.070 1.0 . Uani c ?
H1C647 0.7807 0.3260 0.2687 0.052 1.0 . Uani c ?
H1C657 0.8338 0.2811 0.3090 0.043 1.0 . Uani c ?
H1C667 0.8037 0.3186 0.3570 0.031 1.0 . Uani c ?
H1C687 0.8567 0.7780 0.3788 0.027 1.0 . Uani c ?
H1C697 0.9532 0.7460 0.3806 0.044 1.0 . Uani c ?
H1C707 0.9850 0.6214 0.4077 0.050 1.0 . Uani c ?
H1C717 0.9234 0.5275 0.4331 0.043 1.0 . Uani c ?
H1C727 0.8269 0.5589 0.4315 0.027 1.0 . Uani c ?
H1C747 0.6425 0.8574 0.4366 0.049 1.0 . Uani c ?
H1C757 0.5581 0.9278 0.4509 0.069 1.0 . Uani c ?
H1C767 0.5367 1.0737 0.4337 0.044 1.0 . Uani c ?
H1C777 0.5971 1.1516 0.4025 0.049 1.0 . Uani c ?
H1C787 0.6816 1.0817 0.3880 0.040 1.0 . Uani c ?
H1C807 0.7610 1.0593 0.4377 0.038 1.0 . Uani c ?
H1C817 0.8233 1.1843 0.4342 0.052 1.0 . Uani c ?
H1C827 0.8777 1.2016 0.3923 0.054 1.0 . Uani c ?
H1C837 0.8718 1.0977 0.3536 0.069 1.0 . Uani c ?
H1C847 0.8097 0.9724 0.3569 0.046 1.0 . Uani c ?
H1C18 1.0040 -0.1024 0.6790 0.014 1.0 . Uiso c ?
H2C18 0.9459 -0.0520 0.6721 0.014 1.0 . Uiso c ?
H1C28 1.0176 0.0436 0.6566 0.026 1.0 . Uiso c ?
H2C28 1.0443 -0.0373 0.6372 0.026 1.0 . Uiso c ?
H1C38 0.9238 0.1643 0.6141 0.013 1.0 . Uiso c ?
H2C38 0.9787 0.1652 0.6343 0.013 1.0 . Uiso c ?
H1C48 0.8804 0.0784 0.6544 0.020 1.0 . Uiso c ?
H2C48 0.9319 0.1139 0.6739 0.020 1.0 . Uiso c ?
H1C58 0.8907 0.2248 0.7095 0.016 1.0 . Uiso c ?
H2C58 0.8417 0.1571 0.6990 0.016 1.0 . Uiso c ?
H1C68 0.8023 0.2753 0.7267 0.016 1.0 . Uiso c ?
H2C68 0.8310 0.3507 0.7059 0.016 1.0 . Uiso c ?
H1C78 0.8175 -0.2601 0.5830 0.008 1.0 . Uiso c ?
H2C78 0.7885 -0.2221 0.5536 0.008 1.0 . Uiso c ?
H1C88 0.7543 -0.0976 0.5772 0.013 1.0 . Uiso c ?
H2C88 0.7411 -0.1834 0.5982 0.013 1.0 . Uiso c ?
H1C98 0.7858 0.0519 0.6416 0.003 1.0 . Uiso c ?
H2C98 0.7331 0.0161 0.6230 0.003 1.0 . Uiso c ?
H1C108 0.8337 0.0844 0.5980 0.002 1.0 . Uiso c ?
H2C108 0.7827 0.0448 0.5790 0.002 1.0 . Uiso c ?
H1C118 0.7553 0.2182 0.5466 0.010 1.0 . Uiso c ?
H2C118 0.8147 0.2512 0.5590 0.010 1.0 . Uiso c ?
H1C128 0.7639 0.3825 0.5472 0.007 1.0 . Uiso c ?
H2C128 0.7119 0.3475 0.5665 0.007 1.0 . Uiso c ?
H1C148 0.9889 -0.2558 0.5872 0.030 1.0 . Uani c ?
H1C158 1.0654 -0.3449 0.5712 0.031 1.0 . Uani c ?
H1C168 1.1332 -0.3890 0.6049 0.025 1.0 . Uani c ?
H1C178 1.1271 -0.3469 0.6541 0.033 1.0 . Uani c ?
H1C188 1.0508 -0.2579 0.6703 0.031 1.0 . Uani c ?
H1C208 0.8614 -0.2977 0.6355 0.058 1.0 . Uani c ?
H1C218 0.8168 -0.4070 0.6658 0.086 1.0 . Uani c ?
H1C228 0.8516 -0.4361 0.7126 0.071 1.0 . Uani c ?
H1C238 0.9297 -0.3593 0.7301 0.070 1.0 . Uani c ?
H1C248 0.9746 -0.2500 0.7000 0.050 1.0 . Uani c ?
H1C268 1.0304 -0.1048 0.5811 0.025 1.0 . Uani c ?
H1C278 1.0931 -0.0891 0.5414 0.035 1.0 . Uani c ?
H1C288 1.1108 0.0557 0.5220 0.057 1.0 . Uani c ?
H1C298 1.0678 0.1853 0.5412 0.064 1.0 . Uani c ?
H1C308 1.0050 0.1701 0.5810 0.038 1.0 . Uani c ?
H1C328 0.9842 0.2302 0.6847 0.053 1.0 . Uani c ?
H1C338 1.0578 0.3363 0.6904 0.074 1.0 . Uani c ?
H1C348 1.0475 0.4852 0.6729 0.056 1.0 . Uani c ?
H1C358 0.9658 0.5314 0.6498 0.057 1.0 . Uani c ?
H1C368 0.8920 0.4258 0.6440 0.045 1.0 . Uani c ?
H1C388 0.7603 0.4716 0.7013 0.045 1.0 . Uani c ?
H1C398 0.6951 0.5793 0.7193 0.083 1.0 . Uani c ?
H1C408 0.6020 0.5374 0.7240 0.105 1.0 . Uani c ?
H1C418 0.5720 0.3912 0.7112 0.092 1.0 . Uani c ?
H1C428 0.6370 0.2832 0.6933 0.049 1.0 . Uani c ?
H1C448 0.6766 0.1645 0.6553 0.035 1.0 . Uani c ?
H1C458 0.6400 0.0194 0.6680 0.054 1.0 . Uani c ?
H1C468 0.6681 -0.0508 0.7114 0.074 1.0 . Uani c ?
H1C478 0.7317 0.0195 0.7427 0.073 1.0 . Uani c ?
H1C488 0.7685 0.1647 0.7302 0.043 1.0 . Uani c ?
H1C508 0.9231 0.0223 0.5529 0.025 1.0 . Uani c ?
H1C518 0.9010 0.1519 0.5240 0.034 1.0 . Uani c ?
H1C528 0.8244 0.1472 0.4927 0.043 1.0 . Uani c ?
H1C538 0.7691 0.0168 0.4894 0.045 1.0 . Uani c ?
H1C548 0.7909 -0.1131 0.5183 0.030 1.0 . Uani c ?
H1C568 0.8343 -0.3058 0.5271 0.042 1.0 . Uani c ?
H1C578 0.8756 -0.4156 0.4957 0.072 1.0 . Uani c ?
H1C588 0.9709 -0.4101 0.4868 0.061 1.0 . Uani c ?
H1C598 1.0265 -0.2982 0.5084 0.040 1.0 . Uani c ?
H1C608 0.9856 -0.1882 0.5398 0.027 1.0 . Uani c ?
H1C628 0.8466 -0.0628 0.6776 0.042 1.0 . Uani c ?
H1C638 0.8216 -0.1224 0.7241 0.072 1.0 . Uani c ?
H1C648 0.7493 -0.2280 0.7276 0.065 1.0 . Uani c ?
H1C658 0.7011 -0.2760 0.6860 0.058 1.0 . Uani c ?
H1C668 0.7258 -0.2168 0.6394 0.035 1.0 . Uani c ?
H1C688 0.6701 0.2925 0.6197 0.027 1.0 . Uani c ?
H1C698 0.5722 0.2811 0.6156 0.042 1.0 . Uani c ?
H1C708 0.5334 0.1650 0.5871 0.047 1.0 . Uani c ?
H1C718 0.5895 0.0598 0.5626 0.040 1.0 . Uani c ?
H1C728 0.6874 0.0708 0.5666 0.026 1.0 . Uani c ?
H1C748 0.8764 0.3293 0.5666 0.050 1.0 . Uani c ?
H1C758 0.9636 0.3896 0.5521 0.071 1.0 . Uani c ?
H1C768 0.9861 0.5402 0.5639 0.044 1.0 . Uani c ?
H1C778 0.9243 0.6326 0.5898 0.045 1.0 . Uani c ?
H1C788 0.8370 0.5728 0.6044 0.038 1.0 . Uani c ?
H1C808 0.7436 0.5431 0.5607 0.037 1.0 . Uani c ?
H1C818 0.6813 0.6670 0.5672 0.050 1.0 . Uani c ?
H1C828 0.6387 0.6887 0.6126 0.055 1.0 . Uani c ?
H1C838 0.6564 0.5905 0.6518 0.072 1.0 . Uani c ?
H1C848 0.7186 0.4665 0.6455 0.047 1.0 . Uani c ?
H1C19 1.0430 0.0591 0.3221 0.014 1.0 . Uiso c ?
H2C19 0.9864 0.1092 0.3320 0.014 1.0 . Uiso c ?
H1C29 0.9678 0.0067 0.3651 0.026 1.0 . Uiso c ?
H2C29 1.0039 -0.0562 0.3432 0.026 1.0 . Uiso c ?
H1C39 1.0481 -0.1772 0.3718 0.013 1.0 . Uiso c ?
H2C39 1.1006 -0.1623 0.3932 0.013 1.0 . Uiso c ?
H1C49 1.0953 -0.1059 0.3333 0.020 1.0 . Uiso c ?
H2C49 1.1470 -0.0840 0.3547 0.020 1.0 . Uiso c ?
H1C59 1.1935 -0.1495 0.3057 0.016 1.0 . Uiso c ?
H2C59 1.1416 -0.2026 0.2912 0.016 1.0 . Uiso c ?
H1C69 1.1945 -0.3371 0.2877 0.016 1.0 . Uiso c ?
H2C69 1.2287 -0.2555 0.2722 0.016 1.0 . Uiso c ?
H1C79 1.2339 0.2180 0.4475 0.008 1.0 . Uiso c ?
H2C79 1.2074 0.2711 0.4198 0.008 1.0 . Uiso c ?
H1C89 1.2769 0.2021 0.3978 0.013 1.0 . Uiso c ?
H2C89 1.2752 0.1150 0.4194 0.013 1.0 . Uiso c ?
H1C99 1.2889 0.0062 0.3792 0.003 1.0 . Uiso c ?
H2C99 1.2384 -0.0393 0.3611 0.003 1.0 . Uiso c ?
H1C109 1.2512 -0.0386 0.4230 0.002 1.0 . Uiso c ?
H2C109 1.1950 -0.0720 0.4071 0.002 1.0 . Uiso c ?
H1C119 1.2201 -0.2309 0.4451 0.010 1.0 . Uiso c ?
H2C119 1.2864 -0.2265 0.4498 0.010 1.0 . Uiso c ?
H1C129 1.2971 -0.3727 0.4418 0.007 1.0 . Uiso c ?
H2C129 1.2346 -0.3743 0.4545 0.007 1.0 . Uiso c ?
H1C149 1.0096 0.2478 0.4053 0.028 1.0 . Uani c ?
H1C159 0.9362 0.3524 0.4137 0.027 1.0 . Uani c ?
H1C169 0.8915 0.4206 0.3739 0.030 1.0 . Uani c ?
H1C179 0.9180 0.3875 0.3259 0.042 1.0 . Uani c ?
H1C189 0.9915 0.2830 0.3172 0.034 1.0 . Uani c ?
H1C209 1.1466 0.3133 0.3587 0.055 1.0 . Uani c ?
H1C219 1.1969 0.4022 0.3243 0.081 1.0 . Uani c ?
H1C229 1.1796 0.3844 0.2743 0.074 1.0 . Uani c ?
H1C239 1.1134 0.2805 0.2575 0.080 1.0 . Uani c ?
H1C249 1.0628 0.1913 0.2918 0.055 1.0 . Uani c ?
H1C269 0.9834 0.0989 0.4163 0.025 1.0 . Uani c ?
H1C279 0.9185 0.0799 0.4549 0.035 1.0 . Uani c ?
H1C289 0.9042 -0.0650 0.4749 0.058 1.0 . Uani c ?
H1C299 0.9527 -0.1917 0.4574 0.064 1.0 . Uani c ?
H1C309 1.0176 -0.1733 0.4188 0.038 1.0 . Uani c ?
H1C329 1.0403 -0.2182 0.3166 0.055 1.0 . Uani c ?
H1C339 0.9657 -0.3202 0.3077 0.078 1.0 . Uani c ?
H1C349 0.9755 -0.4746 0.3195 0.056 1.0 . Uani c ?
H1C359 1.0576 -0.5301 0.3399 0.052 1.0 . Uani c ?
H1C369 1.1324 -0.4285 0.3489 0.042 1.0 . Uani c ?
H1C389 1.2404 -0.4662 0.2955 0.045 1.0 . Uani c ?
H1C399 1.2920 -0.5950 0.2796 0.082 1.0 . Uani c ?
H1C409 1.3888 -0.5910 0.2811 0.106 1.0 . Uani c ?
H1C419 1.4358 -0.4621 0.2981 0.095 1.0 . Uani c ?
H1C429 1.3846 -0.3330 0.3141 0.050 1.0 . Uani c ?
H1C449 1.3353 -0.2596 0.2674 0.041 1.0 . Uani c ?
H1C459 1.3936 -0.1387 0.2516 0.069 1.0 . Uani c ?
H1C469 1.4049 -0.0103 0.2814 0.073 1.0 . Uani c ?
H1C479 1.3597 0.0010 0.3265 0.055 1.0 . Uani c ?
H1C489 1.3014 -0.1196 0.3424 0.035 1.0 . Uani c ?
H1C509 1.0994 -0.0142 0.4452 0.025 1.0 . Uani c ?
H1C519 1.1210 -0.1407 0.4756 0.034 1.0 . Uani c ?
H1C529 1.1948 -0.1304 0.5086 0.042 1.0 . Uani c ?
H1C539 1.2478 0.0025 0.5122 0.044 1.0 . Uani c ?
H1C549 1.2265 0.1293 0.4818 0.029 1.0 . Uani c ?
H1C569 1.1810 0.3193 0.4706 0.042 1.0 . Uani c ?
H1C579 1.1367 0.4230 0.5029 0.070 1.0 . Uani c ?
H1C589 1.0424 0.4057 0.5133 0.057 1.0 . Uani c ?
H1C599 0.9909 0.2877 0.4922 0.037 1.0 . Uani c ?
H1C609 1.0348 0.1837 0.4598 0.027 1.0 . Uani c ?
H1C629 1.1775 0.0591 0.3237 0.040 1.0 . Uani c ?
H1C639 1.2108 0.1038 0.2769 0.064 1.0 . Uani c ?
H1C649 1.2865 0.2028 0.2737 0.052 1.0 . Uani c ?
H1C659 1.3300 0.2586 0.3157 0.050 1.0 . Uani c ?
H1C669 1.2970 0.2142 0.3625 0.034 1.0 . Uani c ?
H1C689 1.3528 -0.2481 0.3679 0.028 1.0 . Uani c ?
H1C699 1.4499 -0.2218 0.3675 0.046 1.0 . Uani c ?
H1C709 1.4892 -0.1238 0.4021 0.051 1.0 . Uani c ?
H1C719 1.4344 -0.0510 0.4372 0.040 1.0 . Uani c ?
H1C729 1.3372 -0.0769 0.4378 0.025 1.0 . Uani c ?
H1C749 1.1425 -0.3470 0.4397 0.049 1.0 . Uani c ?
H1C759 1.0549 -0.4128 0.4505 0.066 1.0 . Uani c ?
H1C769 1.0295 -0.5503 0.4283 0.039 1.0 . Uani c ?
H1C779 1.0890 -0.6243 0.3957 0.045 1.0 . Uani c ?
H1C789 1.1767 -0.5590 0.3848 0.039 1.0 . Uani c ?
H1C809 1.2683 -0.5391 0.4421 0.038 1.0 . Uani c ?
H1C819 1.3304 -0.6642 0.4381 0.053 1.0 . Uani c ?
H1C829 1.3777 -0.6889 0.3941 0.054 1.0 . Uani c ?
H1C839 1.3648 -0.5925 0.3540 0.068 1.0 . Uani c ?
H1C849 1.3028 -0.4673 0.3578 0.045 1.0 . Uani c ?
loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C 0 672 0.017 0.009
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H 0 672 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
Au 0 16 -5.096 7.297
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
F 0 96 0.069 0.053
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
P 0 80 0.283 0.434
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?
? ? ?
? ? ?
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P16 Au16 P26 87.7(4) . . . yes
P16 Au16 P56 130.4(4) . . . yes
P16 Au16 P66 112.3(4) . . . yes
P26 Au16 P56 123.5(4) . . . yes
P26 Au16 P66 125.4(4) . . . yes
P56 Au16 P66 81.9(4) . . . yes
P36 Au26 P46 84.4(4) . . . yes
P36 Au26 P76 121.2(4) . . . yes
P36 Au26 P86 118.4(4) . . . yes
P46 Au26 P76 118.5(4) . . . yes
P46 Au26 P86 130.1(4) . . . yes
P76 Au26 P86 88.4(4) . . . yes
P16 C16 C26 105.2(25) . . . yes
P26 C26 C16 119.3(26) . . . yes
P26 C36 C46 111.5(15) . . . yes
P36 C46 C36 116.4(17) . . . yes
P36 C56 C66 115.8(20) . . . yes
P46 C66 C56 104.9(22) . . . yes
P56 C76 C86 104.8(22) . . . yes
P66 C86 C76 125.2(22) . . . yes
P66 C96 C106 121.3(16) . . . yes
P76 C106 C96 110.6(14) . . . yes
P76 C116 C126 109.0(21) . . . yes
P86 C126 C116 118.9(23) . . . yes
Au16 P16 C16 103.0(13) . . . yes
Au16 P16 C136 123.0(5) . . . yes
Au16 P16 C196 117.0(5) . . . yes
C16 P16 C136 101.2(14) . . . yes
C16 P16 C196 116.8(12) . . . yes
C136 P16 C196 95.8(6) . . . yes
Au16 P26 C26 101.0(14) . . . yes
Au16 P26 C36 121.4(15) . . . yes
Au16 P26 C256 117.3(6) . . . yes
C26 P26 C36 114.2(22) . . . yes
C26 P26 C256 102.8(14) . . . yes
C36 P26 C256 99.3(12) . . . yes
Au26 P36 C46 115.4(17) . . . yes
Au26 P36 C56 104.5(12) . . . yes
Au26 P36 C316 124.1(7) . . . yes
C46 P36 C56 110.1(16) . . . yes
C46 P36 C316 106.1(16) . . . yes
C56 P36 C316 93.9(15) . . . yes
Au26 P46 C66 101.6(13) . . . yes
Au26 P46 C376 125.1(6) . . . yes
Au26 P46 C436 112.6(5) . . . yes
C66 P46 C376 99.2(11) . . . yes
C66 P46 C436 111.4(15) . . . yes
C376 P46 C436 105.7(7) . . . yes
Au16 P56 C76 113.0(11) . . . yes
Au16 P56 C496 110.1(5) . . . yes
Au16 P56 C556 122.4(5) . . . yes
C76 P56 C496 99.7(14) . . . yes
C76 P56 C556 107.6(11) . . . yes
C496 P56 C556 101.0(6) . . . yes
Au16 P66 C86 107.7(12) . . . yes
Au16 P66 C96 117.9(12) . . . yes
Au16 P66 C616 119.6(6) . . . yes
C86 P66 C96 96.0(15) . . . yes
C86 P66 C616 107.7(14) . . . yes
C96 P66 C616 105.1(11) . . . yes
Au26 P76 C106 126.2(13) . . . yes
Au26 P76 C116 101.7(13) . . . yes
Au26 P76 C676 117.3(6) . . . yes
C106 P76 C116 96.1(14) . . . yes
C106 P76 C676 100.8(13) . . . yes
C116 P76 C676 113.0(15) . . . yes
Au26 P86 C126 100.4(11) . . . yes
Au26 P86 C736 120.3(5) . . . yes
Au26 P86 C796 115.6(6) . . . yes
C126 P86 C736 104.9(13) . . . yes
C126 P86 C796 106.7(12) . . . yes
C736 P86 C796 107.3(6) . . . yes
P17 Au17 P27 85.8(4) . . . yes
P17 Au17 P57 130.3(4) . . . yes
P17 Au17 P67 115.5(4) . . . yes
P27 Au17 P57 118.5(4) . . . yes
P27 Au17 P67 125.0(4) . . . yes
P57 Au17 P67 86.6(4) . . . yes
P37 Au27 P47 90.3(4) . . . yes
P37 Au27 P77 117.0(4) . . . yes
P37 Au27 P87 124.8(4) . . . yes
P47 Au27 P77 123.5(4) . . . yes
P47 Au27 P87 119.4(4) . . . yes
P77 Au27 P87 85.8(4) . . . yes
P17 C17 C27 98.0(24) . . . yes
P27 C27 C17 117.2(27) . . . yes
P27 C37 C47 120.4(18) . . . yes
P37 C47 C37 113.6(16) . . . yes
P37 C57 C67 114.0(25) . . . yes
P47 C67 C57 114.9(25) . . . yes
P57 C77 C87 104.2(21) . . . yes
P67 C87 C77 120.2(19) . . . yes
P67 C97 C107 120.0(16) . . . yes
P77 C107 C97 104.5(12) . . . yes
P77 C117 C127 99.2(20) . . . yes
P87 C127 C117 119.0(23) . . . yes
Au17 P17 C17 101.3(14) . . . yes
Au17 P17 C137 120.4(5) . . . yes
Au17 P17 C197 113.5(5) . . . yes
C17 P17 C137 109.9(14) . . . yes
C17 P17 C197 100.0(13) . . . yes
C137 P17 C197 109.3(5) . . . yes
Au17 P27 C27 99.1(15) . . . yes
Au17 P27 C37 116.9(14) . . . yes
Au17 P27 C257 123.4(6) . . . yes
C27 P27 C37 105.3(22) . . . yes
C27 P27 C257 103.1(14) . . . yes
C37 P27 C257 106.2(13) . . . yes
Au27 P37 C47 125.1(17) . . . yes
Au27 P37 C57 102.0(13) . . . yes
Au27 P37 C317 122.4(6) . . . yes
C47 P37 C57 101.6(17) . . . yes
C47 P37 C317 99.8(16) . . . yes
C57 P37 C317 101.9(16) . . . yes
Au27 P47 C67 98.4(13) . . . yes
Au27 P47 C377 123.2(4) . . . yes
Au27 P47 C437 122.4(6) . . . yes
C67 P47 C377 106.2(12) . . . yes
C67 P47 C437 96.2(15) . . . yes
C377 P47 C437 105.0(6) . . . yes
Au17 P57 C77 98.9(13) . . . yes
Au17 P57 C497 109.9(5) . . . yes
Au17 P57 C557 126.4(5) . . . yes
C77 P57 C497 112.0(14) . . . yes
C77 P57 C557 104.6(9) . . . yes
C497 P57 C557 104.6(6) . . . yes
Au17 P67 C87 100.8(10) . . . yes
Au17 P67 C97 113.3(12) . . . yes
Au17 P67 C617 118.5(5) . . . yes
C87 P67 C97 105.4(16) . . . yes
C87 P67 C617 118.3(15) . . . yes
C97 P67 C617 100.2(11) . . . yes
Au27 P77 C107 118.2(12) . . . yes
Au27 P77 C117 105.4(13) . . . yes
Au27 P77 C677 117.9(6) . . . yes
C107 P77 C117 96.1(14) . . . yes
C107 P77 C677 106.3(13) . . . yes
C117 P77 C677 110.6(14) . . . yes
Au27 P87 C127 98.6(12) . . . yes
Au27 P87 C737 117.3(5) . . . yes
Au27 P87 C797 124.5(6) . . . yes
C127 P87 C737 108.4(14) . . . yes
C127 P87 C797 103.1(11) . . . yes
C737 P87 C797 103.0(6) . . . yes
P18 Au18 P28 85.8(4) . . . yes
P18 Au18 P58 126.9(4) . . . yes
P18 Au18 P68 114.5(4) . . . yes
P28 Au18 P58 122.6(4) . . . yes
P28 Au18 P68 122.3(4) . . . yes
P58 Au18 P68 88.6(4) . . . yes
P38 Au28 P48 84.6(4) . . . yes
P38 Au28 P78 117.4(4) . . . yes
P38 Au28 P88 130.0(4) . . . yes
P48 Au28 P78 121.1(4) . . . yes
P48 Au28 P88 126.3(4) . . . yes
P78 Au28 P88 82.1(4) . . . yes
P18 C18 C28 113.5(26) . . . yes
P28 C28 C18 108.0(25) . . . yes
P28 C38 C48 114.7(18) . . . yes
P38 C48 C38 105.5(15) . . . yes
P38 C58 C68 109.6(21) . . . yes
P48 C68 C58 111.0(23) . . . yes
P58 C78 C88 117.0(24) . . . yes
P68 C88 C78 112.2(20) . . . yes
P68 C98 C108 105.8(13) . . . yes
P78 C108 C98 111.6(14) . . . yes
P78 C118 C128 109.8(21) . . . yes
P88 C128 C118 107.9(22) . . . yes
Au18 P18 C18 97.0(14) . . . yes
Au18 P18 C138 119.2(5) . . . yes
Au18 P18 C198 118.4(5) . . . yes
C18 P18 C138 111.4(14) . . . yes
C18 P18 C198 112.0(13) . . . yes
C138 P18 C198 99.3(5) . . . yes
Au18 P28 C28 107.4(13) . . . yes
Au18 P28 C38 123.3(14) . . . yes
Au18 P28 C258 112.1(5) . . . yes
C28 P28 C38 95.5(22) . . . yes
C28 P28 C258 103.4(15) . . . yes
C38 P28 C258 111.7(12) . . . yes
Au28 P38 C48 125.8(17) . . . yes
Au28 P38 C58 107.5(13) . . . yes
Au28 P38 C318 118.6(7) . . . yes
C48 P38 C58 91.9(15) . . . yes
C48 P38 C318 105.8(16) . . . yes
C58 P38 C318 100.8(15) . . . yes
Au28 P48 C68 102.4(13) . . . yes
Au28 P48 C378 126.1(5) . . . yes
Au28 P48 C438 112.1(6) . . . yes
C68 P48 C378 107.8(11) . . . yes
C68 P48 C438 99.7(15) . . . yes
C378 P48 C438 105.5(8) . . . yes
Au18 P58 C78 95.7(12) . . . yes
Au18 P58 C498 107.9(5) . . . yes
Au18 P58 C558 131.0(5) . . . yes
C78 P58 C498 106.6(14) . . . yes
C78 P58 C558 105.4(11) . . . yes
C498 P58 C558 107.5(6) . . . yes
Au18 P68 C88 105.3(11) . . . yes
Au18 P68 C98 120.8(12) . . . yes
Au18 P68 C618 115.0(6) . . . yes
C88 P68 C98 105.2(15) . . . yes
C88 P68 C618 112.5(14) . . . yes
C98 P68 C618 97.7(11) . . . yes
Au28 P78 C108 112.6(13) . . . yes
Au28 P78 C118 106.2(13) . . . yes
Au28 P78 C678 116.2(6) . . . yes
C108 P78 C118 111.9(14) . . . yes
C108 P78 C678 110.8(12) . . . yes
C118 P78 C678 98.2(14) . . . yes
Au28 P88 C128 109.1(11) . . . yes
Au28 P88 C738 110.7(5) . . . yes
Au28 P88 C798 121.5(6) . . . yes
C128 P88 C738 106.4(13) . . . yes
C128 P88 C798 99.7(11) . . . yes
C738 P88 C798 108.1(6) . . . yes
P19 Au19 P29 86.6(4) . . . yes
P19 Au19 P59 131.0(4) . . . yes
P19 Au19 P69 113.4(4) . . . yes
P29 Au19 P59 126.0(4) . . . yes
P29 Au19 P69 121.4(4) . . . yes
P59 Au19 P69 82.2(4) . . . yes
P39 Au29 P49 83.1(4) . . . yes
P39 Au29 P79 117.9(4) . . . yes
P39 Au29 P89 125.9(4) . . . yes
P49 Au29 P79 123.0(4) . . . yes
P49 Au29 P89 126.6(4) . . . yes
P79 Au29 P89 85.1(4) . . . yes
P19 C19 C29 124.3(26) . . . yes
P29 C29 C19 109.0(24) . . . yes
P29 C39 C49 106.8(15) . . . yes
P39 C49 C39 112.0(17) . . . yes
P39 C59 C69 114.6(25) . . . yes
P49 C69 C59 104.8(23) . . . yes
P59 C79 C89 120.5(23) . . . yes
P69 C89 C79 106.9(22) . . . yes
P69 C99 C109 109.4(13) . . . yes
P79 C109 C99 115.7(15) . . . yes
P79 C119 C129 123.9(23) . . . yes
P89 C129 C119 108.0(21) . . . yes
Au19 P19 C19 102.6(13) . . . yes
Au19 P19 C139 123.5(5) . . . yes
Au19 P19 C199 117.2(6) . . . yes
C19 P19 C139 98.9(15) . . . yes
C19 P19 C199 116.4(14) . . . yes
C139 P19 C199 97.8(6) . . . yes
Au19 P29 C29 112.0(13) . . . yes
Au19 P29 C39 124.5(15) . . . yes
Au19 P29 C259 112.5(6) . . . yes
C29 P29 C39 101.7(22) . . . yes
C29 P29 C259 96.6(16) . . . yes
C39 P29 C259 105.5(13) . . . yes
Au29 P39 C49 117.6(17) . . . yes
Au29 P39 C59 104.6(14) . . . yes
Au29 P39 C319 121.9(6) . . . yes
C49 P39 C59 99.1(17) . . . yes
C49 P39 C319 105.9(16) . . . yes
C59 P39 C319 104.2(15) . . . yes
Au29 P49 C69 108.8(13) . . . yes
Au29 P49 C379 121.9(5) . . . yes
Au29 P49 C439 118.7(6) . . . yes
C69 P49 C379 104.8(12) . . . yes
C69 P49 C439 98.6(15) . . . yes
C379 P49 C439 101.0(7) . . . yes
Au19 P59 C79 102.6(13) . . . yes
Au19 P59 C499 107.9(5) . . . yes
Au19 P59 C559 129.1(5) . . . yes
C79 P59 C499 103.1(15) . . . yes
C79 P59 C559 108.0(12) . . . yes
C499 P59 C559 103.6(6) . . . yes
Au19 P69 C89 115.2(11) . . . yes
Au19 P69 C99 124.2(12) . . . yes
Au19 P69 C619 118.9(5) . . . yes
C89 P69 C99 99.5(17) . . . yes
C89 P69 C619 105.0(14) . . . yes
C99 P69 C619 89.5(11) . . . yes
Au29 P79 C109 118.6(12) . . . yes
Au29 P79 C119 104.7(12) . . . yes
Au29 P79 C679 115.5(6) . . . yes
C109 P79 C119 114.3(15) . . . yes
C109 P79 C679 102.0(12) . . . yes
C119 P79 C679 100.6(14) . . . yes
Au29 P89 C129 111.9(10) . . . yes
Au29 P89 C739 113.4(5) . . . yes
Au29 P89 C799 121.2(6) . . . yes
C129 P89 C739 105.0(13) . . . yes
C129 P89 C799 97.9(12) . . . yes
C739 P89 C799 105.3(6) . . . yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au16 P16 2.393(4) . . yes
Au16 P26 2.395(4) . . yes
Au16 P56 2.414(4) . . yes
Au16 P66 2.385(4) . . yes
Au26 P36 2.399(4) . . yes
Au26 P46 2.428(4) . . yes
Au26 P76 2.396(4) . . yes
Au26 P86 2.405(4) . . yes
P16 C16 1.863(10) . . yes
P16 C136 1.820(5) . . yes
P16 C196 1.820(5) . . yes
P26 C26 1.823(11) . . yes
P26 C36 1.857(10) . . yes
P26 C256 1.820(5) . . yes
P36 C46 1.855(10) . . yes
P36 C56 1.816(10) . . yes
P36 C316 1.820(5) . . yes
P46 C66 1.862(11) . . yes
P46 C376 1.820(5) . . yes
P46 C436 1.820(5) . . yes
P56 C76 1.861(10) . . yes
P56 C496 1.820(5) . . yes
P56 C556 1.820(5) . . yes
P66 C86 1.814(10) . . yes
P66 C96 1.856(10) . . yes
P66 C616 1.820(5) . . yes
P76 C106 1.854(10) . . yes
P76 C116 1.822(10) . . yes
P76 C676 1.820(5) . . yes
P86 C126 1.865(10) . . yes
P86 C736 1.820(5) . . yes
P86 C796 1.820(5) . . yes
C16 C26 1.543(13) . . yes
C36 C46 1.524(17) . . yes
C56 C66 1.540(13) . . yes
C76 C86 1.542(13) . . yes
C96 C106 1.525(17) . . yes
C116 C126 1.543(13) . . yes
C136 C146 1.383(5) . . yes
C136 C186 1.382(5) . . yes
C146 C156 1.397(6) . . yes
C156 C166 1.368(6) . . yes
C166 C176 1.367(6) . . yes
C176 C186 1.397(6) . . yes
C196 C206 1.383(5) . . yes
C196 C246 1.382(5) . . yes
Au17 P17 2.393(4) . . yes
Au17 P27 2.395(4) . . yes
Au17 P57 2.414(4) . . yes
Au17 P67 2.384(4) . . yes
Au27 P37 2.399(4) . . yes
Au27 P47 2.427(4) . . yes
Au27 P77 2.396(4) . . yes
Au27 P87 2.406(4) . . yes
P17 C17 1.863(10) . . yes
P17 C137 1.820(5) . . yes
P17 C197 1.820(5) . . yes
P27 C27 1.824(11) . . yes
P27 C37 1.857(10) . . yes
P27 C257 1.820(5) . . yes
P37 C47 1.855(10) . . yes
P37 C57 1.816(10) . . yes
P37 C317 1.820(5) . . yes
P47 C67 1.861(11) . . yes
P47 C377 1.820(5) . . yes
P47 C437 1.820(5) . . yes
P57 C77 1.861(10) . . yes
P57 C497 1.820(5) . . yes
P57 C557 1.820(5) . . yes
P67 C87 1.814(10) . . yes
P67 C97 1.856(10) . . yes
P67 C617 1.820(5) . . yes
P77 C107 1.854(10) . . yes
P77 C117 1.821(10) . . yes
P77 C677 1.820(5) . . yes
P87 C127 1.865(10) . . yes
P87 C737 1.820(5) . . yes
P87 C797 1.820(5) . . yes
C17 C27 1.543(13) . . yes
C37 C47 1.524(17) . . yes
C57 C67 1.541(13) . . yes
C77 C87 1.542(13) . . yes
C97 C107 1.525(17) . . yes
C117 C127 1.543(13) . . yes
P96 F16 1.581(4) . . yes
Au18 P18 2.392(4) . . yes
Au18 P28 2.396(4) . . yes
Au18 P58 2.412(4) . . yes
Au18 P68 2.383(4) . . yes
Au28 P38 2.398(4) . . yes
Au28 P48 2.428(4) . . yes
Au28 P78 2.396(4) . . yes
Au28 P88 2.406(4) . . yes
P18 C18 1.863(10) . . yes
P18 C138 1.820(5) . . yes
P18 C198 1.820(5) . . yes
P28 C28 1.823(10) . . yes
P28 C38 1.857(10) . . yes
P28 C258 1.820(5) . . yes
P38 C48 1.855(10) . . yes
P38 C58 1.816(10) . . yes
P38 C318 1.820(5) . . yes
P48 C68 1.862(10) . . yes
P48 C378 1.820(5) . . yes
P48 C438 1.820(5) . . yes
P58 C78 1.861(11) . . yes
P58 C498 1.820(5) . . yes
P58 C558 1.820(5) . . yes
P68 C88 1.813(10) . . yes
P68 C98 1.856(10) . . yes
P68 C618 1.820(5) . . yes
P78 C108 1.854(10) . . yes
P78 C118 1.821(11) . . yes
P78 C678 1.820(5) . . yes
P88 C128 1.865(11) . . yes
P88 C738 1.820(5) . . yes
P88 C798 1.820(5) . . yes
C18 C28 1.543(13) . . yes
C38 C48 1.523(17) . . yes
C58 C68 1.541(13) . . yes
C78 C88 1.542(13) . . yes
C98 C108 1.525(17) . . yes
C118 C128 1.542(13) . . yes
Au19 P19 2.392(4) . . yes
Au19 P29 2.395(4) . . yes
Au19 P59 2.413(4) . . yes
Au19 P69 2.384(4) . . yes
Au29 P39 2.398(4) . . yes
Au29 P49 2.427(4) . . yes
Au29 P79 2.397(4) . . yes
Au29 P89 2.406(4) . . yes
P19 C19 1.864(10) . . yes
P19 C139 1.820(5) . . yes
P19 C199 1.820(5) . . yes
P29 C29 1.823(10) . . yes
P29 C39 1.857(10) . . yes
P29 C259 1.820(5) . . yes
P39 C49 1.855(10) . . yes
P39 C59 1.816(10) . . yes
P39 C319 1.820(5) . . yes
P49 C69 1.862(10) . . yes
P49 C379 1.820(5) . . yes
P49 C439 1.820(5) . . yes
P59 C79 1.861(11) . . yes
P59 C499 1.820(5) . . yes
P59 C559 1.820(5) . . yes
P69 C89 1.813(10) . . yes
P69 C99 1.857(10) . . yes
P69 C619 1.820(5) . . yes
P79 C109 1.854(10) . . yes
P79 C119 1.822(11) . . yes
P79 C679 1.820(5) . . yes
P89 C129 1.865(11) . . yes
P89 C739 1.820(5) . . yes
P89 C799 1.820(5) . . yes
C19 C29 1.543(13) . . yes
C39 C49 1.524(17) . . yes
C59 C69 1.541(13) . . yes
C79 C89 1.542(13) . . yes
C99 C109 1.525(17) . . yes
C119 C129 1.543(13) . . yes
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P16 C16 C26 P26 -54.6(41) . . . . no
P26 C36 C46 P36 176.9(25) . . . . no
P36 C56 C66 P46 -55.9(35) . . . . no
P56 C76 C86 P66 22.4(37) . . . . no
P66 C96 C106 P76 162.8(21) . . . . no
P76 C116 C126 P86 -49.6(37) . . . . no
Au16 P16 C16 C26 46.2(27) . . . . no
C136 P16 C16 C26 -81.8(26) . . . . no
C196 P16 C16 C26 175.8(20) . . . . no
Au26 P46 C66 C56 53.8(25) . . . . no
C376 P46 C66 C56 -177.3(22) . . . . no
C436 P46 C66 C56 -66.3(26) . . . . no
Au16 P56 C76 C86 -29.0(27) . . . . no
C496 P56 C76 C86 87.9(23) . . . . no
C556 P56 C76 C86 -167.2(19) . . . . no
Au26 P86 C126 C116 23.3(30) . . . . no
C736 P86 C126 C116 -102.1(28) . . . . no
C796 P86 C126 C116 144.3(25) . . . . no
C16 C26 P26 Au16 32.4(37) . . . . no
C66 C56 P36 Au26 28.4(31) . . . . no
C76 C86 P66 Au16 -5.8(32) . . . . no
C126 C116 P76 Au26 47.4(27) . . . . no
C16 C26 P26 C36 -99.5(36) . . . . no
C66 C56 P36 C46 152.9(29) . . . . no
C76 C86 P66 C96 -127.6(30) . . . . no
C126 C116 P76 C106 176.3(27) . . . . no
C16 C26 P26 C256 154.0(31) . . . . no
C66 C56 P36 C316 -98.3(28) . . . . no
C76 C86 P66 C616 124.4(29) . . . . no
C126 C116 P76 C676 -79.2(28) . . . . no
C26 P26 Au16 P16 0.3(16) . . . . no
C56 P36 Au26 P46 5.6(13) . . . . no
C86 P66 Au16 P56 -10.2(11) . . . . no
C116 P76 Au26 P86 -27.5(13) . . . . no
C36 P26 Au16 P16 127.7(16) . . . . no
C46 P36 Au26 P46 -115.4(15) . . . . no
C96 P66 Au16 P56 96.9(14) . . . . no
C106 P76 Au26 P86 -134.1(14) . . . . no
C256 P26 Au16 P16 -110.4(6) . . . . no
C316 P36 Au26 P46 110.7(7) . . . . no
C616 P66 Au16 P56 -133.3(6) . . . . no
C676 P76 Au26 P86 96.2(5) . . . . no
P26 Au16 P16 C16 -24.0(14) . . . . no
P36 Au26 P46 C66 -30.4(12) . . . . no
P66 Au16 P56 C76 22.1(14) . . . . no
P76 Au26 P86 C126 6.0(13) . . . . no
P26 Au16 P16 C136 88.8(6) . . . . no
P36 Au26 P46 C376 -140.6(10) . . . . no
P66 Au16 P56 C496 -88.4(5) . . . . no
P76 Au26 P86 C736 120.2(6) . . . . no
P26 Au16 P16 C196 -153.5(6) . . . . no
P36 Au26 P46 C436 88.8(7) . . . . no
P66 Au16 P56 C556 153.3(6) . . . . no
P76 Au26 P86 C796 -108.3(6) . . . . no
Au16 P26 C36 C46 -60.1(37) . . . . no
Au26 P36 C46 C36 -81.0(37) . . . . no
Au16 P66 C96 C106 -46.1(35) . . . . no
Au26 P76 C106 C96 -62.2(30) . . . . no
C26 P26 C36 C46 61.1(38) . . . . no
C56 P36 C46 C36 161.1(35) . . . . no
C86 P66 C96 C106 67.5(34) . . . . no
C116 P76 C106 C96 -171.5(29) . . . . no
C256 P26 C36 C46 169.8(31) . . . . no
C316 P36 C46 C36 60.6(38) . . . . no
C616 P66 C96 C106 177.7(28) . . . . no
C676 P76 C106 C96 73.7(27) . . . . no
C46 C36 P26 Au16 -60.1(37) . . . . no
C36 C46 P36 Au26 -81.0(37) . . . . no
C106 C96 P66 Au16 -46.1(35) . . . . no
C196 C106 P76 Au26 -23.2(24) . . . . no
P17 C17 C27 P27 67.0(35) . . . . no
P27 C37 C47 P37 -165.3(26) . . . . no
P37 C57 C67 P47 54.2(41) . . . . no
P57 C77 C87 P67 -53.6(38) . . . . no
P67 C97 C107 P77 177.9(20) . . . . no
P77 C117 C127 P87 62.5(32) . . . . no
Au17 P17 C17 C27 -57.2(23) . . . . no
C137 P17 C17 C27 71.2(25) . . . . no
C197 P17 C17 C27 -173.9(20) . . . . no
Au27 P47 C67 C57 -41.1(30) . . . . no
C377 P47 C67 C57 -169.4(25) . . . . no
C437 P47 C67 C57 83.0(30) . . . . no
Au17 P57 C77 C87 54.3(25) . . . . no
C497 P57 C77 C87 -61.5(26) . . . . no
C557 P57 C77 C87 -174.3(21) . . . . no
Au27 P87 C127 C117 -39.6(29) . . . . no
C737 P87 C127 C117 83.1(28) . . . . no
C797 P87 C127 C117 -168.2(25) . . . . no
C17 C27 P27 Au17 -39.9(33) . . . . no
C67 C57 P37 Au27 -34.4(32) . . . . no
C77 C87 P67 Au17 21.9(33) . . . . no
C127 C117 P77 Au27 -51.7(23) . . . . no
C17 C27 P27 C37 81.4(35) . . . . no
C67 C57 P37 C47 -164.4(31) . . . . no
C77 C87 P67 C97 140.0(30) . . . . no
C127 C117 P77 C107 -173.2(23) . . . . no
C17 C27 P27 C257 -167.5(28) . . . . no
C67 C57 P37 C317 92.8(30) . . . . no
C77 C87 P67 C617 -109.0(30) . . . . no
C127 C117 P77 C677 76.8(24) . . . . no
C27 P27 Au17 P17 -1.5(16) . . . . no
C57 P37 Au27 P47 6.9(15) . . . . no
C87 P67 Au17 P57 12.0(14) . . . . no
C117 P77 Au27 P87 27.2(12) . . . . no
C37 P27 Au17 P17 -113.9(16) . . . . no
C47 P37 Au27 P47 120.5(16) . . . . no
C97 P67 Au17 P57 -100.1(13) . . . . no
C107 P77 Au27 P87 133.0(13) . . . . no
C257 P27 Au17 P17 110.9(7) . . . . no
C317 P37 Au27 P47 -105.7(6) . . . . no
C617 P67 Au17 P57 142.8(6) . . . . no
C677 P77 Au27 P87 -96.8(5) . . . . no
P27 Au17 P17 C17 31.4(13) . . . . no
P37 Au27 P47 C67 14.8(14) . . . . no
P67 Au17 P57 C77 -35.4(11) . . . . no
P77 Au27 P87 C127 1.2(13) . . . . no
P27 Au17 P17 C137 -90.0(6) . . . . no
P37 Au27 P47 C377 130.5(8) . . . . no
P67 Au17 P57 C497 82.0(6) . . . . no
P77 Au27 P87 C737 -114.8(6) . . . . no
P27 Au17 P17 C197 137.7(7) . . . . no
P37 Au27 P47 C437 -88.1(6) . . . . no
P67 Au17 P57 C557 -151.1(7) . . . . no
P77 Au27 P87 C797 113.7(7) . . . . no
Au17 P27 C37 C47 45.5(43) . . . . no
Au27 P37 C47 C37 80.1(38) . . . . no
Au17 P67 C97 C107 50.8(32) . . . . no
Au27 P77 C107 C97 65.6(26) . . . . no
C27 P27 C37 C47 -63.3(41) . . . . no
C57 P37 C47 C37 -166.1(36) . . . . no
C87 P67 C97 C107 -58.5(33) . . . . no
C117 P77 C107 C97 176.7(26) . . . . no
C257 P27 C37 C47 -172.3(34) . . . . no
C317 P37 C47 C37 -61.7(36) . . . . no
C617 P67 C97 C107 178.1(27) . . . . no
C677 P77 C107 C97 -69.7(25) . . . . no
C47 C37 P27 Au17 45.5(43) . . . . no
C37 C47 P37 Au27 80.1(38) . . . . no
C107 C97 P67 Au17 50.8(32) . . . . no
C197 C107 P77 Au27 34.7(22) . . . . no
P18 C18 C28 P28 54.9(39) . . . . no
P28 C38 C48 P38 -161.6(23) . . . . no
P38 C58 C68 P48 56.1(35) . . . . no
P58 C78 C88 P68 -47.3(37) . . . . no
P68 C98 C108 P78 177.5(19) . . . . no
P78 C118 C128 P88 53.7(32) . . . . no
Au18 P18 C18 C28 -57.2(29) . . . . no
C138 P18 C18 C28 68.1(31) . . . . no
C198 P18 C18 C28 178.3(24) . . . . no
Au28 P48 C68 C58 -47.1(28) . . . . no
C378 P48 C68 C58 178.1(22) . . . . no
C438 P48 C68 C58 68.3(27) . . . . no
Au18 P58 C78 C88 49.9(28) . . . . no
C498 P58 C78 C88 -60.7(29) . . . . no
C558 P58 C78 C88 -174.7(24) . . . . no
Au28 P88 C128 C118 -33.0(26) . . . . no
C738 P88 C128 C118 86.4(24) . . . . no
C798 P88 C128 C118 -161.4(21) . . . . no
C18 C28 P28 Au18 -22.9(33) . . . . no
C68 C58 P38 Au28 -36.3(29) . . . . no
C78 C88 P68 Au18 16.2(29) . . . . no
C128 C118 P78 Au28 -50.3(27) . . . . no
C18 C28 P28 C38 104.5(31) . . . . no
C68 C58 P38 C48 -165.0(30) . . . . no
C78 C88 P68 C98 144.9(25) . . . . no
C128 C118 P78 C108 -173.5(24) . . . . no
C18 C28 P28 C258 -141.6(26) . . . . no
C68 C58 P38 C318 88.5(27) . . . . no
C78 C88 P68 C618 -109.8(27) . . . . no
C128 C118 P78 C678 70.1(26) . . . . no
C28 P28 Au18 P18 -7.8(18) . . . . no
C58 P38 Au28 P48 6.2(13) . . . . no
C88 P68 Au18 P58 10.3(12) . . . . no
C118 P78 Au28 P88 21.9(13) . . . . no
C38 P28 Au18 P18 -116.8(17) . . . . no
C48 P38 Au28 P48 112.0(16) . . . . no
C98 P68 Au18 P58 -108.4(14) . . . . no
C108 P78 Au28 P88 144.7(12) . . . . no
C258 P28 Au18 P18 105.1(6) . . . . no
C318 P38 Au28 P48 -107.1(6) . . . . no
C618 P68 Au18 P58 134.8(6) . . . . no
C678 P78 Au28 P88 -85.9(5) . . . . no
P28 Au18 P18 C18 29.8(13) . . . . no
P38 Au28 P48 C68 18.4(13) . . . . no
P68 Au18 P58 C78 -28.1(12) . . . . no
P78 Au28 P88 C128 3.2(13) . . . . no
P28 Au18 P18 C138 -89.6(6) . . . . no
P38 Au28 P48 C378 141.6(9) . . . . no
P68 Au18 P58 C498 81.4(5) . . . . no
P78 Au28 P88 C738 -113.5(6) . . . . no
P28 Au18 P18 C198 149.5(7) . . . . no
P38 Au28 P48 C438 -87.6(7) . . . . no
P68 Au18 P58 C558 -144.2(7) . . . . no
P78 Au28 P88 C798 118.1(6) . . . . no
Au18 P28 C38 C48 47.1(39) . . . . no
Au28 P38 C48 C38 83.1(33) . . . . no
Au18 P68 C98 C108 45.8(29) . . . . no
Au28 P78 C108 C98 70.1(28) . . . . no
C28 P28 C38 C48 -67.9(36) . . . . no
C58 P38 C48 C38 -163.6(33) . . . . no
C88 P68 C98 C108 -72.9(28) . . . . no
C118 P78 C108 C98 -170.4(27) . . . . no
C258 P28 C38 C48 -174.7(29) . . . . no
C318 P38 C48 C38 -61.8(33) . . . . no
C618 P68 C98 C108 171.1(23) . . . . no
C678 P78 C108 C98 -62.0(28) . . . . no
C48 C38 P28 Au18 47.1(39) . . . . no
C38 C48 P38 Au28 83.1(33) . . . . no
C108 C98 P68 Au18 45.8(29) . . . . no
C198 C108 P78 Au28 24.3(32) . . . . no
P19 C19 C29 P29 -27.2(51) . . . . no
P29 C39 C49 P39 176.3(24) . . . . no
P39 C59 C69 P49 -55.0(36) . . . . no
P59 C79 C89 P69 31.9(42) . . . . no
P69 C99 C109 P79 171.3(19) . . . . no
P79 C119 C129 P89 -28.6(43) . . . . no
Au19 P19 C19 C29 26.3(40) . . . . no
C139 P19 C19 C29 -101.0(37) . . . . no
C199 P19 C19 C29 155.6(33) . . . . no
Au29 P49 C69 C59 36.9(28) . . . . no
C379 P49 C69 C59 168.8(22) . . . . no
C439 P49 C69 C59 -87.4(26) . . . . no
Au19 P59 C79 C89 -41.3(35) . . . . no
C499 P59 C79 C89 70.8(35) . . . . no
C559 P59 C79 C89 180.0(30) . . . . no
Au29 P89 C129 C119 14.2(30) . . . . no
C739 P89 C129 C119 -109.3(26) . . . . no
C799 P89 C129 C119 142.4(25) . . . . no
C19 C29 P29 Au19 13.5(38) . . . . no
C69 C59 P39 Au29 46.6(31) . . . . no
C79 C89 P69 Au19 -6.4(33) . . . . no
C129 C119 P79 Au29 28.3(37) . . . . no
C19 C29 P29 C39 -121.6(33) . . . . no
C69 C59 P39 C49 168.5(31) . . . . no
C79 C89 P69 C99 -141.5(27) . . . . no
C129 C119 P79 C109 159.8(31) . . . . no
C19 C29 P29 C259 131.0(31) . . . . no
C69 C59 P39 C319 -82.4(30) . . . . no
C79 C89 P69 C619 126.4(26) . . . . no
C129 C119 P79 C679 -91.8(34) . . . . no
C29 P29 Au19 P19 0.2(19) . . . . no
C59 P39 Au29 P49 -15.2(14) . . . . no
C89 P69 Au19 P59 -12.9(16) . . . . no
C119 P79 Au29 P89 -12.0(15) . . . . no
C39 P29 Au19 P19 123.1(17) . . . . no
C49 P39 Au29 P49 -123.9(15) . . . . no
C99 P69 Au19 P59 109.8(14) . . . . no
C109 P79 Au29 P89 -140.9(13) . . . . no
C259 P29 Au19 P19 -107.3(6) . . . . no
C319 P39 Au29 P49 102.3(7) . . . . no
C619 P69 Au19 P59 -138.8(6) . . . . no
C679 P79 Au29 P89 97.6(5) . . . . no
P29 Au19 P19 C19 -11.1(15) . . . . no
P39 Au29 P49 C69 -9.6(14) . . . . no
P69 Au19 P59 C79 24.6(14) . . . . no
P79 Au29 P89 C129 0.2(15) . . . . no
P29 Au19 P19 C139 98.6(6) . . . . no
P39 Au29 P49 C379 -131.6(9) . . . . no
P69 Au19 P59 C499 -83.9(5) . . . . no
P79 Au29 P89 C739 118.7(5) . . . . no
P29 Au19 P19 C199 -139.9(7) . . . . no
P39 Au29 P49 C439 101.8(7) . . . . no
P69 Au19 P59 C559 150.6(7) . . . . no
P79 Au29 P89 C799 -114.5(6) . . . . no
Au19 P29 C39 C49 -52.6(37) . . . . no
Au29 P39 C49 C39 -82.5(35) . . . . no
Au19 P69 C99 C109 -49.4(30) . . . . no
Au29 P79 C109 C99 -65.0(30) . . . . no
C29 P29 C39 C49 74.8(35) . . . . no
C59 P39 C49 C39 165.6(35) . . . . no
C89 P69 C99 C109 80.1(28) . . . . no
C119 P79 C109 C99 170.7(27) . . . . no
C259 P29 C39 C49 175.1(29) . . . . no
C319 P39 C49 C39 57.9(37) . . . . no
C619 P69 C99 C109 -174.7(25) . . . . no
C679 P79 C109 C99 63.1(28) . . . . no
C49 C39 P29 Au19 -52.6(37) . . . . no
C39 C49 P39 Au29 -82.5(35) . . . . no
C109 C99 P69 Au19 -49.4(30) . . . . no
C199 C109 P79 Au29 -18.2(25) . . . . no
