#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/77/4317783.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_4317783
loop_
_publ_author_name
'Vernon C. Cook'
'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       ' sbw@rsc.anu.edu.au '
_publ_contact_author_fax         ' 61 2 6125 0750 '
_publ_contact_author_name        '  S. Bruce Wild  '
_publ_contact_author_phone       ' 61 2 6125 4236 '
_publ_section_title
;
 Synthesis and Resolution of
 (R*,R*)-(\+-)-1,1,4,7,10,10-Hexaphenyl-1,10-diarsa-4,7-diphosphadecane:
 New Ligand for the Stereoselective Self-Assembly of Dicopper(I),
 Disilver(I), and Digold(I) Helicates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1897
_journal_page_last               1906
_journal_paper_doi               10.1021/ic010988d
_journal_volume                  41
_journal_year                    2002
_chemical_formula_moiety         'C84 H84 Ag2 As4 P4 2+, 2(F6 P -)  '
_chemical_formula_sum            'C84 H84 Ag2 As4 F12 P6'
_chemical_formula_weight         2022.83
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_audit_creation_date             99-11-29
_audit_creation_method           from_xtal_archive_file_using_CIFIO
_audit_update_record
;
2001-08-28  amend cif to match report
2001-08-28  passes checkcif with minor warnings

;
_cell_angle_alpha                92.057(18)
_cell_angle_beta                 95.188(14)
_cell_angle_gamma                98.234(17)
_cell_formula_units_Z            2
_cell_length_a                   12.487(2)
_cell_length_b                   12.695(4)
_cell_length_c                   27.242(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      34.23
_cell_measurement_theta_min      24.14
_cell_volume                     4251.2(16)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        xtal_DIFDAT_ABSORB_SORTRF_ADDREF
_computing_molecular_graphics    xtal
_computing_publication_material  xtal_BONDLA_CIFIO
_computing_structure_refinement  xtal_CRYLSQ
_computing_structure_solution    xtal
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device_details
;
Rigaku AFC6R diffractometer with extended arm and
evacuated collimator and beam tunnel.
Data cannot be collected beyond ψ 60 deg in this configuration.
;
_diffrn_measurement_device_type  'Rigaku AFC6R'
_diffrn_measurement_method       ω-2θ
_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  .032
_diffrn_reflns_av_sigmaI/netI    .044
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            12874
_diffrn_reflns_reduction_process equatorial_monochr_Lp
_diffrn_reflns_theta_max         60.25
_diffrn_reflns_theta_min         3.52
_diffrn_standards_decay_%        -20
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.07
_exptl_absorpt_correction_T_max  .84
_exptl_absorpt_correction_T_min  .44
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
analytical (de Meulenaer & Tompa, 1965)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.58
_exptl_crystal_density_meas      ?
_exptl_crystal_description       platelet
_exptl_crystal_F_000             2024
_exptl_crystal_size_max          .15
_exptl_crystal_size_mid          .10
_exptl_crystal_size_min          .02
_refine_diff_density_max         .851
_refine_diff_density_min         -1.16
_refine_ls_abs_structure_details
;
Refinement of a model with coordinates transformed by (-x, -y, -z) 
yielded significantly inferior agreement factors (R = 0.069, Rw = 
0.090, GOF = 1.91) establishing that the original model shows the 
absolute configuration.  It is also in agreement with the known 
chirality of the ligand.
;
_refine_ls_abs_structure_Flack   0
_refine_ls_extinction_coef       .00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.556
_refine_ls_goodness_of_fit_ref   1.704
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     819
_refine_ls_number_reflns         9216
_refine_ls_number_restraints     37
_refine_ls_R_factor_all          .085
_refine_ls_R_factor_gt           .062
_refine_ls_shift/su_max          .113
_refine_ls_shift/su_mean         .008
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.0009|Fo|²]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         .087
_refine_ls_wR_factor_ref         .08
_reflns_d_resolution_high        .888
_reflns_d_resolution_low         12.549
_reflns_limit_h_max              13
_reflns_limit_h_min              -13
_reflns_limit_k_max              0
_reflns_limit_k_min              -14
_reflns_limit_l_max              30
_reflns_limit_l_min              -30
_reflns_number_gt                9216
_reflns_number_total             12601
_reflns_threshold_expression     I>2.00σ(I)
_cod_data_source_file            ic010988d_3.cif
_cod_data_source_block           vcc4
_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        4251.3(16)
_cod_original_sg_symbol_Hall     p_1
_cod_original_formula_sum        'C84 H84 Ag2 As4 F12 P6 '
_cod_database_code               4317783
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+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_thermal_displace_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
Ag1 .50000 .50000 .50000 .0395(6) 1.0 Uani ? ?
Ag2 .26259(14) .78975(14) .64947(7) .0408(7) 1.0 Uani ? ?
Ag3 .55249(16) .51804(15) .14644(7) .0507(8) 1.0 Uani ? ?
Ag4 .26431(16) .20523(16) .01760(7) .0519(8) 1.0 Uani ? ?
As11 .6922(2) .5434(2) .47165(9) .0443(10) 1.0 Uani ? ?
As14 .08865(18) .67563(19) .67613(9) .0399(10) 1.0 Uani ? ?
As21 .37493(19) .32092(18) .47439(9) .0398(10) 1.0 Uani ? ?
As24 .3142(2) .98941(19) .67635(9) .0426(10) 1.0 Uani ? ?
As31 .7012(2) .4578(2) .20812(10) .0526(12) 1.0 Uani ? ?
As34 .3414(2) .0716(2) -.04054(11) .0688(15) 1.0 Uani ? ?
As41 .5482(2) .7190(2) .13081(11) .0612(13) 1.0 Uani ? ?
As44 .0543(2) .1573(2) -.00179(10) .0544(12) 1.0 Uani ? ?
P1 .7405(4) 1.0022(5) .5729(2) .060(3) 1.0 Uani ? ?
P2 .9287(6) .3984(6) .8312(2) .072(4) 1.0 Uani ? ?
P3 1.0235(6) 1.0960(6) .3229(2) .070(4) 1.0 Uani ? ?
P4 1.0644(7) .7249(6) .0563(4) .097(5) 1.0 Uani ? ?
P12 .5878(4) .5615(4) .58321(17) .037(2) 1.0 Uani ? ?
P13 .3579(4) .6510(4) .68814(18) .040(2) 1.0 Uani ? ?
P22 .3464(4) .5847(4) .46234(19) .042(2) 1.0 Uani ? ?
P23 .2977(4) .8482(4) .56636(18) .038(2) 1.0 Uani ? ?
P32 .6371(4) .4166(4) .0834(2) .050(3) 1.0 Uani ? ?
P33 .3799(5) .1362(4) .0828(2) .052(3) 1.0 Uani ? ?
P42 .3556(5) .5143(4) .1570(2) .051(3) 1.0 Uani ? ?
P43 .2341(4) .3894(4) .0051(2) .051(3) 1.0 Uani ? ?
F11 .8246(10) .9231(11) .5861(5) .105(11) 1.0 Uani ? ?
F12a .7192(17) .9502(15) .5188(5) .086(6) 0.5 Uiso ? ?
F12b .7752(16) 1.0049(17) .5182(5) .086(6) 0.5 Uiso ? ?
F13a .6480(12) .9163(13) .5898(8) .103(7) 0.5 Uiso ? ?
F13b .6492(13) .9045(12) .5562(8) .103(7) 0.5 Uiso ? ?
F14 .6548(10) 1.0799(10) .5597(5) .093(9) 1.0 Uani ? ?
F15a .7620(17) 1.0532(15) .6276(5) .093(7) 0.5 Uiso ? ?
F15b .7058(17) 1.0007(16) .6270(5) .093(7) 0.5 Uiso ? ?
F16a .8346(12) 1.0875(13) .5571(8) .101(7) 0.5 Uiso ? ?
F16b .8319(13) 1.1005(11) .5883(8) .101(7) 0.5 Uiso ? ?
F21 1.0260(13) .3339(15) .8412(6) .107(11) 1.0 Uani ? ?
F22 .9590(17) .4184(16) .7766(6) .122(13) 1.0 Uani ? ?
F23 .8557(18) .2933(17) .8059(10) .166(18) 1.0 Uani ? ?
F24 .8344(18) .4668(18) .8215(6) .141(15) 1.0 Uani ? ?
F25 .883(2) .371(2) .8810(7) .159(18) 1.0 Uani ? ?
F26 1.002(2) .503(2) .8500(14) .25(3) 1.0 Uani ? ?
F31 1.067(2) .9848(14) .3291(7) .129(14) 1.0 Uani ? ?
F32 .9902(17) 1.0726(17) .2661(6) .127(13) 1.0 Uani ? ?
F33 .9103(14) 1.0514(16) .3368(7) .121(12) 1.0 Uani ? ?
F34 .9851(15) 1.2099(14) .3192(7) .114(12) 1.0 Uani ? ?
F35 1.0621(13) 1.1264(12) .3800(5) .089(9) 1.0 Uani ? ?
F36 1.1428(12) 1.1449(14) .3104(7) .102(11) 1.0 Uani ? ?
F41 1.010(2) .705(2) .0021(8) .19(2) 1.0 Uani ? ?
F42 1.1856(18) .726(2) .0371(10) .17(2) 1.0 Uani ? ?
F43 1.050(2) .6043(14) .0647(10) .175(19) 1.0 Uani ? ?
F44 1.1243(18) .7476(16) .1107(8) .140(14) 1.0 Uani ? ?
F45 .957(2) .727(3) .0773(9) .20(2) 1.0 Uani ? ?
F46 1.086(2) .8491(16) .0483(11) .182(19) 1.0 Uani ? ?
C11 .7770(14) .6000(15) .5326(7) .041(4) 1.0 Uiso ? ?
C12 .7117(15) .6496(15) .5708(7) .041(4) 1.0 Uiso ? ?
C13 .5272(14) .6421(14) .6273(6) .036(4) 1.0 Uiso ? ?
C14 .4283(14) .5761(14) .6462(6) .039(4) 1.0 Uiso ? ?
C15 .2519(14) .5490(14) .7048(7) .040(4) 1.0 Uiso ? ?
C16 .1558(14) .5967(15) .7267(7) .041(4) 1.0 Uiso ? ?
C21 .2732(15) .3730(15) .4256(7) .045(4) 1.0 Uiso ? ?
C22 .2339(15) .4754(16) .4470(7) .046(5) 1.0 Uiso ? ?
C23 .2903(15) .6664(16) .5068(7) .047(5) 1.0 Uiso ? ?
C24 .3653(14) .7713(14) .5225(6) .036(4) 1.0 Uiso ? ?
C25 .3906(16) .9736(17) .5772(8) .052(5) 1.0 Uiso ? ?
C26 .3490(14) 1.0512(15) .6126(7) .042(4) 1.0 Uiso ? ?
C31 .7549(17) .3549(17) .1661(8) .057(5) 1.0 Uiso ? ?
C32 .7647(16) .3876(16) .1140(7) .050(5) 1.0 Uiso ? ?
C33 .5573(18) .2861(19) .0648(8) .061(6) 1.0 Uiso ? ?
C34 .5008(18) .2293(18) .1051(8) .061(6) 1.0 Uiso ? ?
C35 .4362(17) .0239(17) .0552(8) .055(5) 1.0 Uiso ? ?
C36 .368(2) -.030(2) .0081(9) .072(6) 1.0 Uiso ? ?
C41 .3932(17) .7235(17) .1235(8) .055(5) 1.0 Uiso ? ?
C42 .3347(18) .6549(18) .1607(8) .060(6) 1.0 Uiso ? ?
C43 .2599(16) .4525(17) .1045(8) .052(5) 1.0 Uiso ? ?
C44 .2911(15) .4902(16) .0532(7) .046(5) 1.0 Uiso ? ?
C45 .0867(18) .3875(18) .0064(8) .061(6) 1.0 Uiso ? ?
C46 .0167(19) .2926(19) -.0255(9) .064(6) 1.0 Uiso ? ?
C111 .778(2) .4332(18) .4511(6) .052(5) 1.0 Uiso ? ?
C112 .7423(11) .331(2) .4667(6) .059(5) 1.0 Uiso ? ?
C113 .800(2) .2473(11) .4566(6) .075(7) 1.0 Uiso ? ?
C114 .893(2) .2655(18) .4310(6) .087(8) 1.0 Uiso ? ?
C115 .9279(11) .368(2) .4156(6) .077(7) 1.0 Uiso ? ?
C116 .870(2) .4514(11) .4256(6) .069(6) 1.0 Uiso ? ?
C121 .7191(15) .6564(12) .4270(6) .054(5) 1.0 Uiso ? ?
C122 .7200(15) .7614(14) .4446(5) .073(7) 1.0 Uiso ? ?
C123 .7288(15) .8444(10) .4121(6) .078(7) 1.0 Uiso ? ?
C124 .7364(15) .8223(12) .3619(6) .099(9) 1.0 Uiso ? ?
C125 .7354(15) .7172(14) .3443(5) .116(11) 1.0 Uiso ? ?
C126 .7267(15) .6342(10) .3769(6) .077(7) 1.0 Uiso ? ?
C131 .6384(13) .4639(11) .6230(5) .037(4) 1.0 Uiso ? ?
C132 .6114(11) .3552(13) .6093(4) .047(5) 1.0 Uiso ? ?
C133 .6411(14) .2789(8) .6416(5) .071(6) 1.0 Uiso ? ?
C134 .6976(13) .3110(11) .6877(5) .071(6) 1.0 Uiso ? ?
C135 .7245(11) .4195(13) .7014(4) .061(6) 1.0 Uiso ? ?
C136 .6950(14) .4960(8) .6691(5) .054(5) 1.0 Uiso ? ?
C141 .4522(12) .6743(16) .7440(4) .050(5) 1.0 Uiso ? ?
C142 .4571(15) .7699(14) .7720(6) .062(6) 1.0 Uiso ? ?
C143 .5222(17) .7872(10) .8169(6) .083(8) 1.0 Uiso ? ?
C144 .5827(12) .7087(16) .8339(4) .075(7) 1.0 Uiso ? ?
C145 .5779(15) .6131(14) .8060(6) .080(7) 1.0 Uiso ? ?
C146 .5127(17) .5959(10) .7611(6) .066(6) 1.0 Uiso ? ?
C151 .0268(12) .5580(9) .6308(4) .039(4) 1.0 Uiso ? ?
C152 .0524(11) .5614(9) .5818(5) .059(5) 1.0 Uiso ? ?
C153 .0160(12) .4740(11) .5488(4) .063(6) 1.0 Uiso ? ?
C154 -.0460(12) .3831(9) .5648(4) .069(6) 1.0 Uiso ? ?
C155 -.0716(11) .3796(9) .6137(5) .063(6) 1.0 Uiso ? ?
C156 -.0352(12) .4671(11) .6467(4) .054(5) 1.0 Uiso ? ?
C161 -.0378(8) .7149(12) .7040(4) .037(4) 1.0 Uiso ? ?
C162 -.0967(11) .7845(11) .6782(4) .040(4) 1.0 Uiso ? ?
C163 -.1900(11) .8141(10) .6962(4) .052(5) 1.0 Uiso ? ?
C164 -.2245(8) .7739(12) .7402(4) .048(5) 1.0 Uiso ? ?
C165 -.1657(11) .7042(11) .7662(4) .054(5) 1.0 Uiso ? ?
C166 -.0723(11) .6747(10) .7482(4) .051(5) 1.0 Uiso ? ?
C211 .4030(15) .1884(8) .4447(5) .039(4) 1.0 Uiso ? ?
C212 .4848(12) .1394(12) .4688(4) .037(4) 1.0 Uiso ? ?
C213 .5119(10) .0450(14) .4485(5) .065(6) 1.0 Uiso ? ?
C214 .4570(15) -.0005(8) .4040(5) .069(6) 1.0 Uiso ? ?
C215 .3751(12) .0485(12) .3798(4) .057(5) 1.0 Uiso ? ?
C216 .3481(10) .1430(14) .4001(5) .051(5) 1.0 Uiso ? ?
C221 .2725(10) .2731(12) .5207(5) .055(5) 1.0 Uiso ? ?
C222 .2889(10) .3172(10) .5691(5) .055(5) 1.0 Uiso ? ?
C223 .2132(12) .2864(11) .6027(4) .059(5) 1.0 Uiso ? ?
C224 .1213(10) .2116(12) .5879(5) .070(6) 1.0 Uiso ? ?
C225 .1049(10) .1676(10) .5396(5) .060(6) 1.0 Uiso ? ?
C226 .1804(12) .1983(11) .5059(4) .058(5) 1.0 Uiso ? ?
C231 .3456(17) .6590(13) .4066(5) .052(5) 1.0 Uiso ? ?
C232 .4340(14) .6643(16) .3782(6) .078(7) 1.0 Uiso ? ?
C233 .4341(11) .7217(17) .3353(6) .087(8) 1.0 Uiso ? ?
C234 .3457(17) .7737(13) .3208(5) .089(8) 1.0 Uiso ? ?
C235 .2573(14) .7684(16) .3492(6) .090(8) 1.0 Uiso ? ?
C236 .2572(11) .7110(17) .3921(6) .071(6) 1.0 Uiso ? ?
C241 .1856(10) .8819(13) .5256(5) .042(4) 1.0 Uiso ? ?
C242 .0791(12) .8618(12) .5386(4) .056(5) 1.0 Uiso ? ?
C243 -.0077(8) .8803(13) .5054(5) .069(6) 1.0 Uiso ? ?
C244 .0120(10) .9188(13) .4591(5) .079(7) 1.0 Uiso ? ?
C245 .1186(12) .9389(12) .4459(4) .072(7) 1.0 Uiso ? ?
C246 .2054(8) .9205(13) .4792(5) .049(5) 1.0 Uiso ? ?
C251 .4430(10) 1.0338(14) .7198(5) .046(5) 1.0 Uiso ? ?
C252 .5441(13) 1.0276(14) .7025(4) .064(6) 1.0 Uiso ? ?
C253 .6392(10) 1.0508(14) .7347(6) .066(6) 1.0 Uiso ? ?
C254 .6330(10) 1.0803(14) .7843(5) .087(8) 1.0 Uiso ? ?
C255 .5318(13) 1.0866(14) .8016(4) .087(8) 1.0 Uiso ? ?
C256 .4368(10) 1.0632(14) .7694(6) .068(6) 1.0 Uiso ? ?
C261 .210(3) 1.077(3) .6979(6) .041(4) 1.0 Uiso ? ?
C262 .101(4) 1.0292(9) .6904(6) .064(6) 1.0 Uiso ? ?
C263 .0184(13) 1.085(3) .7044(6) .077(7) 1.0 Uiso ? ?
C264 .045(3) 1.188(3) .7258(6) .070(6) 1.0 Uiso ? ?
C265 .153(4) 1.2360(9) .7334(6) .074(7) 1.0 Uiso ? ?
C266 .2358(13) 1.181(3) .7194(6) .065(6) 1.0 Uiso ? ?
C311 .8321(18) .549(2) .2281(11) .071(6) 1.0 Uiso ? ?
C312 .878(2) .615(2) .1932(8) .094(9) 1.0 Uiso ? ?
C313 .973(2) .686(2) .2068(10) .144(15) 1.0 Uiso ? ?
C314 1.0233(18) .690(2) .2551(11) .31(4) 1.0 Uiso ? ?
C315 .977(2) .624(2) .2899(8) .24(3) 1.0 Uiso ? ?
C316 .882(2) .553(2) .2763(10) .122(12) 1.0 Uiso ? ?
C321 .670(2) .3779(16) .2646(6) .062(6) 1.0 Uiso ? ?
C322 .573(2) .3887(17) .2844(7) .116(11) 1.0 Uiso ? ?
C323 .5415(12) .329(2) .3242(7) .115(11) 1.0 Uiso ? ?
C324 .608(2) .2578(16) .3442(6) .124(12) 1.0 Uiso ? ?
C325 .706(2) .2470(17) .3243(7) .081(7) 1.0 Uiso ? ?
C326 .7368(12) .307(2) .2845(7) .067(6) 1.0 Uiso ? ?
C331 .6739(13) .4664(13) .0236(4) .055(5) 1.0 Uiso ? ?
C332 .5893(9) .4850(14) -.0108(5) .064(6) 1.0 Uiso ? ?
C333 .6122(11) .5206(14) -.0573(5) .076(7) 1.0 Uiso ? ?
C334 .7197(13) .5376(13) -.0695(4) .063(6) 1.0 Uiso ? ?
C335 .8043(9) .5190(14) -.0350(5) .073(7) 1.0 Uiso ? ?
C336 .7815(11) .4833(14) .0114(5) .073(7) 1.0 Uiso ? ?
C341 .3277(14) .0838(15) .1379(5) .049(5) 1.0 Uiso ? ?
C342 .2524(15) -.0098(14) .1336(5) .072(7) 1.0 Uiso ? ?
C343 .2063(14) -.0494(12) .1756(7) .089(8) 1.0 Uiso ? ?
C344 .2355(14) .0046(15) .2215(5) .082(7) 1.0 Uiso ? ?
C345 .3109(15) .0981(14) .2257(5) .114(11) 1.0 Uiso ? ?
C346 .3570(14) .1378(12) .1839(7) .115(11) 1.0 Uiso ? ?
C351 .4880(12) .107(5) -.0594(7) .065(6) 1.0 Uiso ? ?
C352 .527(4) .214(4) -.0668(6) .088(8) 1.0 Uiso ? ?
C353 .632(5) .2421(15) -.0806(6) .086(8) 1.0 Uiso ? ?
C354 .6984(12) .163(5) -.0871(7) .082(7) 1.0 Uiso ? ?
C355 .659(4) .057(4) -.0798(6) .079(7) 1.0 Uiso ? ?
C356 .554(5) .0286(15) -.0660(6) .081(7) 1.0 Uiso ? ?
C361a .266(3) -.039(3) -.0886(13) .066(12) 0.56(3) Uiso ? ?
C362a .264(3) -.001(3) -.1362(16) .17(3) 0.56(3) Uiso ? ?
C363a .203(4) -.062(3) -.1757(11) .16(3) 0.56(3) Uiso ? ?
C364a .145(3) -.162(3) -.1676(13) .11(2) 0.56(3) Uiso ? ?
C365a .148(3) -.200(3) -.1200(16) .106(19) 0.56(3) Uiso ? ?
C366a .208(4) -.139(3) -.0805(11) .084(15) 0.56(3) Uiso ? ?
C361b .272(4) .006(4) -.1031(12) .040(10) 0.44(3) Uiso ? ?
C362b .202(5) .057(2) -.1339(16) .070(16) 0.44(3) Uiso ? ?
C363b .150(3) .005(4) -.1777(14) .074(17) 0.44(3) Uiso ? ?
C364b .169(4) -.099(4) -.1906(12) .10(2) 0.44(3) Uiso ? ?
C365b .239(5) -.149(2) -.1598(16) .10(2) 0.44(3) Uiso ? ?
C366b .291(3) -.097(4) -.1161(14) .09(2) 0.44(3) Uiso ? ?
C411 .607(3) .8354(18) .1769(6) .057(5) 1.0 Uiso ? ?
C412 .712(3) .830(2) .1993(8) .089(8) 1.0 Uiso ? ?
C413 .7624(12) .910(3) .2339(7) .101(9) 1.0 Uiso ? ?
C414 .709(3) .9952(18) .2462(6) .098(9) 1.0 Uiso ? ?
C415 .605(3) 1.001(2) .2238(8) .101(9) 1.0 Uiso ? ?
C416 .5538(12) .921(3) .1892(7) .104(10) 1.0 Uiso ? ?
C421 .5898(15) .7653(15) .0687(5) .063(6) 1.0 Uiso ? ?
C422 .5202(11) .7442(16) .0251(7) .075(7) 1.0 Uiso ? ?
C423 .5603(14) .7642(16) -.0206(6) .090(8) 1.0 Uiso ? ?
C424 .6700(15) .8052(15) -.0226(5) .087(8) 1.0 Uiso ? ?
C425 .7395(11) .8263(16) .0210(7) .113(11) 1.0 Uiso ? ?
C426 .6994(14) .8063(16) .0666(6) .111(10) 1.0 Uiso ? ?
C431 .2853(18) .463(2) .2085(7) .056(5) 1.0 Uiso ? ?
C432 .3186(17) .5119(17) .2553(9) .103(10) 1.0 Uiso ? ?
C433 .266(2) .4761(18) .2961(7) .144(14) 1.0 Uiso ? ?
C434 .1804(18) .391(2) .2902(7) .093(9) 1.0 Uiso ? ?
C435 .1471(17) .3421(17) .2435(9) .24(3) 1.0 Uiso ? ?
C436 .200(2) .3779(18) .2026(7) .165(17) 1.0 Uiso ? ?
C441 .2676(17) .4512(18) -.0513(6) .062(6) 1.0 Uiso ? ?
C442 .285(2) .3836(12) -.0906(8) .090(8) 1.0 Uiso ? ?
C443 .3095(18) .4258(17) -.1357(7) .110(10) 1.0 Uiso ? ?
C444 .3171(17) .5357(18) -.1414(6) .105(10) 1.0 Uiso ? ?
C445 .300(2) .6033(12) -.1021(8) .150(15) 1.0 Uiso ? ?
C446 .2752(18) .5611(17) -.0570(7) .119(11) 1.0 Uiso ? ?
C451 -.0374(13) .1337(15) .0515(5) .053(5) 1.0 Uiso ? ?
C452 .0136(10) .1345(16) .0994(7) .085(8) 1.0 Uiso ? ?
C453 -.0490(14) .1143(16) .1391(5) .103(10) 1.0 Uiso ? ?
C454 -.1625(13) .0932(16) .1308(5) .093(9) 1.0 Uiso ? ?
C455 -.2134(10) .0924(16) .0829(7) .093(8) 1.0 Uiso ? ?
C456 -.1509(14) .1126(16) .0432(5) .080(7) 1.0 Uiso ? ?
C461 -.0149(15) .0600(14) -.0546(6) .061(6) 1.0 Uiso ? ?
C462 -.0336(16) -.0482(16) -.0447(5) .078(7) 1.0 Uiso ? ?
C463 -.0797(17) -.1236(11) -.0823(7) .108(10) 1.0 Uiso ? ?
C464 -.1077(15) -.0908(14) -.1296(6) .093(9) 1.0 Uiso ? ?
C465 -.0888(16) .0174(16) -.1395(5) .107(10) 1.0 Uiso ? ?
C466 -.0425(17) .0928(11) -.1020(7) .083(8) 1.0 Uiso ? ?
H11A .80822 .54347 .54745 .10000 1.0 Uiso ? ?
H11B .83316 .65345 .52460 .10000 1.0 Uiso ? ?
H12A .75702 .66502 .60084 .10000 1.0 Uiso ? ?
H12B .69147 .71378 .55854 .10000 1.0 Uiso ? ?
H13A .57959 .66586 .65433 .10000 1.0 Uiso ? ?
H13B .50512 .70201 .61140 .10000 1.0 Uiso ? ?
H14A .37846 .54957 .61859 .10000 1.0 Uiso ? ?
H14B .45199 .51815 .66304 .10000 1.0 Uiso ? ?
H15A .22357 .50566 .67606 .10000 1.0 Uiso ? ?
H15B .28277 .50670 .72869 .10000 1.0 Uiso ? ?
H16A .10399 .54072 .73615 .10000 1.0 Uiso ? ?
H16B .18309 .64287 .75461 .10000 1.0 Uiso ? ?
H21A .30831 .38960 .39676 .10000 1.0 Uiso ? ?
H21B .21222 .31937 .41751 .10000 1.0 Uiso ? ?
H22A .18295 .49821 .42317 .10000 1.0 Uiso ? ?
H22B .19982 .45832 .47608 .10000 1.0 Uiso ? ?
H23A .22278 .68268 .49246 .10000 1.0 Uiso ? ?
H23B .27872 .62689 .53532 .10000 1.0 Uiso ? ?
H24A .43237 .75637 .53797 .10000 1.0 Uiso ? ?
H24B .37845 .81140 .49429 .10000 1.0 Uiso ? ?
H25A .45921 .95884 .59091 .10000 1.0 Uiso ? ?
H25B .39856 1.00592 .54656 .10000 1.0 Uiso ? ?
H26A .40333 1.11173 .61926 .10000 1.0 Uiso ? ?
H26B .28500 1.07250 .59691 .10000 1.0 Uiso ? ?
H31A .82472 .34432 .18016 .10000 1.0 Uiso ? ?
H31B .70644 .28978 .16508 .10000 1.0 Uiso ? ?
H32A .81745 .44963 .11457 .10000 1.0 Uiso ? ?
H32B .78798 .33136 .09568 .10000 1.0 Uiso ? ?
H33A .50339 .29620 .03917 .10000 1.0 Uiso ? ?
H33B .60497 .24167 .05253 .10000 1.0 Uiso ? ?
H34A .55072 .19087 .12255 .10000 1.0 Uiso ? ?
H34B .48013 .28126 .12685 .10000 1.0 Uiso ? ?
H35A .50715 .04966 .04677 .10000 1.0 Uiso ? ?
H35B .44057 -.02830 .07912 .10000 1.0 Uiso ? ?
H36A .40670 -.08156 -.00577 .10000 1.0 Uiso ? ?
H36B .30050 -.06464 .01691 .10000 1.0 Uiso ? ?
H41A .38106 .79507 .12857 .10000 1.0 Uiso ? ?
H41B .36465 .69790 .09107 .10000 1.0 Uiso ? ?
H42A .36045 .68374 .19292 .10000 1.0 Uiso ? ?
H42B .25899 .65760 .15487 .10000 1.0 Uiso ? ?
H43A .25806 .37743 .10464 .10000 1.0 Uiso ? ?
H43B .18973 .46963 .10900 .10000 1.0 Uiso ? ?
H44A .26336 .55470 .04671 .10000 1.0 Uiso ? ?
H44B .36802 .50195 .05348 .10000 1.0 Uiso ? ?
H45A .06988 .38204 .03964 .10000 1.0 Uiso ? ?
H45B .06824 .45240 -.00574 .10000 1.0 Uiso ? ?
H46A -.05823 .29495 -.02280 .10000 1.0 Uiso ? ?
H46B .03100 .29824 -.05904 .10000 1.0 Uiso ? ?
H112 .67940 .31878 .48405 .10000 1.0 Uiso ? ?
H113 .77612 .17806 .46714 .10000 1.0 Uiso ? ?
H114 .93179 .20863 .42418 .10000 1.0 Uiso ? ?
H115 .99091 .38004 .39829 .10000 1.0 Uiso ? ?
H116 .89401 .52069 .41513 .10000 1.0 Uiso ? ?
H122 .71471 .77644 .47869 .10000 1.0 Uiso ? ?
H123 .72954 .91578 .42410 .10000 1.0 Uiso ? ?
H124 .74227 .87860 .33982 .10000 1.0 Uiso ? ?
H125 .74056 .70216 .31026 .10000 1.0 Uiso ? ?
H126 .72603 .56288 .36498 .10000 1.0 Uiso ? ?
H132 .57287 .33342 .57806 .10000 1.0 Uiso ? ?
H133 .62289 .20520 .63226 .10000 1.0 Uiso ? ?
H134 .71771 .25914 .70965 .10000 1.0 Uiso ? ?
H135 .76290 .44131 .73266 .10000 1.0 Uiso ? ?
H136 .71322 .56966 .67841 .10000 1.0 Uiso ? ?
H142 .41610 .82311 .76039 .10000 1.0 Uiso ? ?
H143 .52548 .85209 .83579 .10000 1.0 Uiso ? ?
H144 .62702 .72044 .86443 .10000 1.0 Uiso ? ?
H145 .61884 .55987 .81757 .10000 1.0 Uiso ? ?
H146 .50952 .53105 .74217 .10000 1.0 Uiso ? ?
H152 .09460 .62304 .57105 .10000 1.0 Uiso ? ?
H153 .03329 .47634 .51559 .10000 1.0 Uiso ? ?
H154 -.07065 .32374 .54237 .10000 1.0 Uiso ? ?
H155 -.11372 .31796 .62448 .10000 1.0 Uiso ? ?
H156 -.05250 .46483 .67995 .10000 1.0 Uiso ? ?
H162 -.07318 .81183 .64829 .10000 1.0 Uiso ? ?
H163 -.23000 .86130 .67856 .10000 1.0 Uiso ? ?
H164 -.28794 .79395 .75251 .10000 1.0 Uiso ? ?
H165 -.18916 .67701 .79607 .10000 1.0 Uiso ? ?
H166 -.03230 .62751 .76580 .10000 1.0 Uiso ? ?
H212 .52210 .17015 .49906 .10000 1.0 Uiso ? ?
H213 .56760 .01176 .46496 .10000 1.0 Uiso ? ?
H214 .47526 -.06464 .39026 .10000 1.0 Uiso ? ?
H215 .33784 .01771 .34956 .10000 1.0 Uiso ? ?
H216 .29260 .17640 .38358 .10000 1.0 Uiso ? ?
H222 .35131 .36797 .57909 .10000 1.0 Uiso ? ?
H223 .22435 .31632 .63558 .10000 1.0 Uiso ? ?
H224 .07001 .19071 .61077 .10000 1.0 Uiso ? ?
H225 .04248 .11677 .52955 .10000 1.0 Uiso ? ?
H226 .16925 .16848 .47302 .10000 1.0 Uiso ? ?
H232 .49401 .62894 .38801 .10000 1.0 Uiso ? ?
H233 .49412 .72530 .31596 .10000 1.0 Uiso ? ?
H234 .34569 .81268 .29167 .10000 1.0 Uiso ? ?
H235 .19733 .80374 .33931 .10000 1.0 Uiso ? ?
H236 .19718 .70738 .41135 .10000 1.0 Uiso ? ?
H242 .06569 .83560 .57007 .10000 1.0 Uiso ? ?
H243 -.08006 .86664 .51431 .10000 1.0 Uiso ? ?
H244 -.04692 .93135 .43659 .10000 1.0 Uiso ? ?
H245 .13201 .96494 .41448 .10000 1.0 Uiso ? ?
H246 .27772 .93425 .47029 .10000 1.0 Uiso ? ?
H252 .54832 1.00765 .66888 .10000 1.0 Uiso ? ?
H253 .70783 1.04662 .72299 .10000 1.0 Uiso ? ?
H254 .69755 1.09603 .80618 .10000 1.0 Uiso ? ?
H255 .52764 1.10663 .83523 .10000 1.0 Uiso ? ?
H256 .36813 1.06739 .78113 .10000 1.0 Uiso ? ?
H262 .08325 .95906 .67578 .10000 1.0 Uiso ? ?
H263 -.05533 1.05189 .69933 .10000 1.0 Uiso ? ?
H264 -.01152 1.22554 .73518 .10000 1.0 Uiso ? ?
H265 .17094 1.30612 .74808 .10000 1.0 Uiso ? ?
H266 .30953 1.21329 .72450 .10000 1.0 Uiso ? ?
H312 .84414 .61261 .16044 .10000 1.0 Uiso ? ?
H313 1.00459 .73162 .18317 .10000 1.0 Uiso ? ?
H314 1.08819 .73855 .26429 .10000 1.0 Uiso ? ?
H315 1.01120 .62676 .32269 .10000 1.0 Uiso ? ?
H316 .85086 .50773 .29997 .10000 1.0 Uiso ? ?
H322 .52764 .43671 .27082 .10000 1.0 Uiso ? ?
H323 .47531 .33614 .33769 .10000 1.0 Uiso ? ?
H324 .58664 .21707 .37118 .10000 1.0 Uiso ? ?
H325 .75064 .19895 .33788 .10000 1.0 Uiso ? ?
H326 .80307 .29981 .27110 .10000 1.0 Uiso ? ?
H332 .51633 .47353 -.00257 .10000 1.0 Uiso ? ?
H333 .55474 .53335 -.08061 .10000 1.0 Uiso ? ?
H334 .73514 .56162 -.10105 .10000 1.0 Uiso ? ?
H335 .87730 .53070 -.04318 .10000 1.0 Uiso ? ?
H336 .83896 .47049 .03470 .10000 1.0 Uiso ? ?
H342 .23251 -.04640 .10239 .10000 1.0 Uiso ? ?
H343 .15522 -.11294 .17274 .10000 1.0 Uiso ? ?
H344 .20422 -.02223 .24989 .10000 1.0 Uiso ? ?
H345 .33071 .13470 .25698 .10000 1.0 Uiso ? ?
H346 .40807 .20127 .18677 .10000 1.0 Uiso ? ?
H352 .48213 .26720 -.06239 .10000 1.0 Uiso ? ?
H353 .65867 .31450 -.08548 .10000 1.0 Uiso ? ?
H354 .76978 .18259 -.09650 .10000 1.0 Uiso ? ?
H355 .70443 .00355 -.08419 .10000 1.0 Uiso ? ?
H356 .52773 -.04377 -.06113 .10000 1.0 Uiso ? ?
H362a .30298 .06678 -.14173 .10000 .5 Uiso ? ?
H363a .20167 -.03640 -.20804 .10000 .5 Uiso ? ?
H364a .10450 -.20378 -.19443 .10000 .5 Uiso ? ?
H365a .10834 -.26775 -.11450 .10000 .5 Uiso ? ?
H366a .20967 -.16458 -.04819 .10000 .5 Uiso ? ?
H362b .18885 .12673 -.12512 .10000 .5 Uiso ? ?
H363b .10215 .03891 -.19857 .10000 .5 Uiso ? ?
H364b .13376 -.13400 -.22031 .10000 .5 Uiso ? ?
H365b .25204 -.21906 -.16863 .10000 .5 Uiso ? ?
H366b .33870 -.13138 -.09517 .10000 .5 Uiso ? ?
H412 .74789 .77163 .19105 .10000 1.0 Uiso ? ?
H413 .83326 .90583 .24908 .10000 1.0 Uiso ? ?
H414 .74334 1.04937 .26974 .10000 1.0 Uiso ? ?
H415 .56824 1.05887 .23212 .10000 1.0 Uiso ? ?
H416 .48295 .92482 .17404 .10000 1.0 Uiso ? ?
H422 .44580 .71637 .02650 .10000 1.0 Uiso ? ?
H423 .51319 .74995 -.05018 .10000 1.0 Uiso ? ?
H424 .69729 .81868 -.05354 .10000 1.0 Uiso ? ?
H425 .81384 .85418 .01963 .10000 1.0 Uiso ? ?
H426 .74666 .82052 .09616 .10000 1.0 Uiso ? ?
H432 .37676 .56953 .25927 .10000 1.0 Uiso ? ?
H433 .28877 .50934 .32787 .10000 1.0 Uiso ? ?
H434 .14479 .36691 .31794 .10000 1.0 Uiso ? ?
H435 .08892 .28448 .23943 .10000 1.0 Uiso ? ?
H436 .17712 .34459 .17084 .10000 1.0 Uiso ? ?
H442 .27971 .30901 -.08669 .10000 1.0 Uiso ? ?
H443 .32117 .37990 -.16239 .10000 1.0 Uiso ? ?
H444 .33391 .56437 -.17200 .10000 1.0 Uiso ? ?
H445 .30508 .67785 -.10602 .10000 1.0 Uiso ? ?
H446 .26357 .60696 -.03031 .10000 1.0 Uiso ? ?
H452 .09060 .14883 .10506 .10000 1.0 Uiso ? ?
H453 -.01445 .11487 .17164 .10000 1.0 Uiso ? ?
H454 -.20497 .07949 .15772 .10000 1.0 Uiso ? ?
H455 -.29037 .07808 .07721 .10000 1.0 Uiso ? ?
H456 -.18545 .11207 .01064 .10000 1.0 Uiso ? ?
H462 -.01486 -.07049 -.01254 .10000 1.0 Uiso ? ?
H463 -.09212 -.19709 -.07560 .10000 1.0 Uiso ? ?
H464 -.13942 -.14193 -.15505 .10000 1.0 Uiso ? ?
H465 -.10732 .03963 -.17175 .10000 1.0 Uiso ? ?
H466 -.02986 .16620 -.10870 .10000 1.0 Uiso ? ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C ? 0 168 .017 .009
;
International Tables for X-ray Crystallography
Vol IV Tables 2.2B and 2.3.1
;
H ? 0 168 0 0
;
International Tables for X-ray Crystallography
Vol IV Tables 2.2B and 2.3.1
;
Ag ? 0 4 -.06 4.282
;
International Tables for X-ray Crystallography
Vol IV Tables 2.2B and 2.3.1
;
As ? 0 8 -1.011 1.006
;
International Tables for X-ray Crystallography
Vol IV Tables 2.2B and 2.3.1
;
F ? 0 24 .069 .053
;
International Tables for X-ray Crystallography
Vol IV Tables 2.2B and 2.3.1
;
P ? 0 12 .283 .434
;
International Tables for X-ray Crystallography
Vol IV Tables 2.2B and 2.3.1
;
loop_
_diffrn_attenuator_code
_diffrn_attenuator_scale
? ?
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
As11 Ag1 As21 122.11(8) . . . ?
As11 Ag1 P12 85.36(12) . . . ?
As11 Ag1 P22 120.90(13) . . . ?
As21 Ag1 P12 127.75(12) . . . ?
As21 Ag1 P22 85.04(12) . . . ?
P12 Ag1 P22 120.27(16) . . . ?
As14 Ag2 As24 121.69(11) . . . ?
As14 Ag2 P13 84.14(13) . . . ?
As14 Ag2 P23 128.03(13) . . . ?
As24 Ag2 P13 121.90(14) . . . ?
As24 Ag2 P23 84.90(13) . . . ?
P13 Ag2 P23 121.11(19) . . . ?
As31 Ag3 As41 121.34(11) . . . ?
As31 Ag3 P32 84.05(15) . . . ?
As31 Ag3 P42 127.62(16) . . . ?
As41 Ag3 P32 115.70(16) . . . ?
As41 Ag3 P42 84.11(16) . . . ?
P32 Ag3 P42 128.28(18) . . . ?
As34 Ag4 As44 103.59(11) . . . ?
As34 Ag4 P33 84.22(17) . . . ?
As34 Ag4 P43 129.87(17) . . . ?
As44 Ag4 P33 127.38(17) . . . ?
As44 Ag4 P43 85.26(15) . . . ?
P33 Ag4 P43 129.0(2) . . . ?
Ag1 As11 C11 101.8(6) . . . ?
Ag1 As11 C111 123.2(7) . . . ?
Ag1 As11 C121 118.5(6) . . . ?
C11 As11 C111 100.7(8) . . . ?
C11 As11 C121 103.5(7) . . . ?
C111 As11 C121 105.6(8) . . . ?
Ag2 As14 C16 99.2(5) . . . ?
Ag2 As14 C151 114.7(4) . . . ?
Ag2 As14 C161 131.9(4) . . . ?
C16 As14 C151 98.7(6) . . . ?
C16 As14 C161 104.3(7) . . . ?
C151 As14 C161 102.5(6) . . . ?
Ag1 As21 C21 98.9(5) . . . ?
Ag1 As21 C211 132.3(5) . . . ?
Ag1 As21 C221 115.1(4) . . . ?
C21 As21 C211 104.3(7) . . . ?
C21 As21 C221 97.8(7) . . . ?
C211 As21 C221 102.4(7) . . . ?
Ag2 As24 C26 100.9(5) . . . ?
Ag2 As24 C251 119.0(5) . . . ?
Ag2 As24 C261 123.1(10) . . . ?
C26 As24 C251 104.1(7) . . . ?
C26 As24 C261 102.1(10) . . . ?
C251 As24 C261 104.5(9) . . . ?
Ag3 As31 C31 100.0(6) . . . ?
Ag3 As31 C311 121.2(9) . . . ?
Ag3 As31 C321 123.9(7) . . . ?
C31 As31 C311 100.0(11) . . . ?
C31 As31 C321 102.0(9) . . . ?
C311 As31 C321 104.7(11) . . . ?
Ag4 As34 C36 97.0(8) . . . ?
Ag4 As34 C351 119.4(15) . . . ?
Ag4 As34 C361a 130.5(12) . . . ?
Ag4 As34 C361b 126.9(14) . . . ?
C36 As34 C351 99.0(15) . . . ?
C36 As34 C361a 92.8(14) . . . ?
C36 As34 C361b 113.2(15) . . . ?
C351 As34 C361a 106.6(16) . . . ?
C351 As34 C361b 98.5(15) . . . ?
C361a As34 C361b 20.8(18) . . . ?
Ag3 As41 C41 101.2(7) . . . ?
Ag3 As41 C411 125.1(7) . . . ?
Ag3 As41 C421 116.1(6) . . . ?
C41 As41 C411 104.8(12) . . . ?
C41 As41 C421 101.8(9) . . . ?
C411 As41 C421 104.7(8) . . . ?
Ag4 As44 C46 101.0(7) . . . ?
Ag4 As44 C451 120.0(5) . . . ?
Ag4 As44 C461 124.1(6) . . . ?
C46 As44 C451 101.5(9) . . . ?
C46 As44 C461 100.9(9) . . . ?
C451 As44 C461 104.9(7) . . . ?
F11 P1 F12a 89.7(9) . . . ?
F11 P1 F12b 89.8(10) . . . ?
F11 P1 F13a 88.4(8) . . . ?
F11 P1 F13b 90.3(8) . . . ?
F11 P1 F14 179.1(7) . . . ?
F11 P1 F15a 89.9(9) . . . ?
F11 P1 F15b 90.8(10) . . . ?
F11 P1 F16a 90.7(8) . . . ?
F11 P1 F16b 90.2(8) . . . ?
F12a P1 F12b 33.5(10) . . . ?
F12a P1 F13a 89.8(10) . . . ?
F12a P1 F13b 56.0(10) . . . ?
F12a P1 F14 90.2(9) . . . ?
F12a P1 F15a 179.4(10) . . . ?
F12a P1 F15b 146.7(10) . . . ?
F12a P1 F16a 91.1(11) . . . ?
F12a P1 F16b 122.8(11) . . . ?
F12b P1 F13a 123.3(11) . . . ?
F12b P1 F13b 89.5(11) . . . ?
F12b P1 F14 90.6(10) . . . ?
F12b P1 F15a 146.9(10) . . . ?
F12b P1 F15b 179.4(12) . . . ?
F12b P1 F16a 57.6(10) . . . ?
F12b P1 F16b 89.3(11) . . . ?
F13a P1 F13b 33.9(11) . . . ?
F13a P1 F14 90.7(8) . . . ?
F13a P1 F15a 89.7(11) . . . ?
F13a P1 F15b 57.0(10) . . . ?
F13a P1 F16a 178.7(11) . . . ?
F13a P1 F16b 147.4(12) . . . ?
F13b P1 F14 88.9(8) . . . ?
F13b P1 F15a 123.6(11) . . . ?
F13b P1 F15b 90.8(11) . . . ?
F13b P1 F16a 147.1(12) . . . ?
F13b P1 F16b 178.7(12) . . . ?
F14 P1 F15a 90.3(9) . . . ?
F14 P1 F15b 88.9(10) . . . ?
F14 P1 F16a 90.2(8) . . . ?
F14 P1 F16b 90.7(8) . . . ?
F15a P1 F15b 32.8(10) . . . ?
F15a P1 F16a 89.3(11) . . . ?
F15a P1 F16b 57.6(11) . . . ?
F15b P1 F16a 122.1(11) . . . ?
F15b P1 F16b 90.5(11) . . . ?
F16a P1 F16b 31.7(11) . . . ?
F21 P2 F22 91.0(11) . . . ?
F21 P2 F23 89.7(11) . . . ?
F21 P2 F24 177.9(11) . . . ?
F21 P2 F25 93.2(13) . . . ?
F21 P2 F26 90.9(14) . . . ?
F22 P2 F23 83.6(12) . . . ?
F22 P2 F24 88.6(11) . . . ?
F22 P2 F25 172.0(12) . . . ?
F22 P2 F26 90.3(16) . . . ?
F23 P2 F24 92.3(12) . . . ?
F23 P2 F25 89.6(14) . . . ?
F23 P2 F26 173.9(18) . . . ?
F24 P2 F25 87.5(13) . . . ?
F24 P2 F26 87.0(15) . . . ?
F25 P2 F26 96.5(17) . . . ?
F31 P3 F32 92.8(11) . . . ?
F31 P3 F33 92.8(12) . . . ?
F31 P3 F34 176.8(10) . . . ?
F31 P3 F35 89.2(9) . . . ?
F31 P3 F36 87.7(11) . . . ?
F32 P3 F33 93.2(11) . . . ?
F32 P3 F34 89.9(11) . . . ?
F32 P3 F35 176.5(10) . . . ?
F32 P3 F36 88.8(10) . . . ?
F33 P3 F34 88.7(11) . . . ?
F33 P3 F35 89.6(10) . . . ?
F33 P3 F36 177.9(11) . . . ?
F34 P3 F35 88.0(10) . . . ?
F34 P3 F36 90.7(10) . . . ?
F35 P3 F36 88.3(9) . . . ?
F41 P4 F42 90.8(15) . . . ?
F41 P4 F43 91.9(14) . . . ?
F41 P4 F44 177.5(14) . . . ?
F41 P4 F45 93.1(15) . . . ?
F41 P4 F46 89.7(14) . . . ?
F42 P4 F43 93.2(16) . . . ?
F42 P4 F44 87.0(13) . . . ?
F42 P4 F45 176.1(14) . . . ?
F42 P4 F46 83.8(15) . . . ?
F43 P4 F44 89.4(13) . . . ?
F43 P4 F45 87.5(18) . . . ?
F43 P4 F46 176.6(16) . . . ?
F44 P4 F45 89.1(13) . . . ?
F44 P4 F46 88.9(13) . . . ?
F45 P4 F46 95.4(18) . . . ?
Ag1 P12 C12 103.8(6) . . . ?
Ag1 P12 C13 124.0(6) . . . ?
Ag1 P12 C131 118.4(5) . . . ?
C12 P12 C13 103.1(8) . . . ?
C12 P12 C131 103.7(8) . . . ?
C13 P12 C131 101.3(7) . . . ?
Ag2 P13 C14 114.9(6) . . . ?
Ag2 P13 C15 105.8(6) . . . ?
Ag2 P13 C141 124.1(7) . . . ?
C14 P13 C15 101.9(8) . . . ?
C14 P13 C141 103.9(8) . . . ?
C15 P13 C141 103.6(8) . . . ?
Ag1 P22 C22 105.6(7) . . . ?
Ag1 P22 C23 112.7(6) . . . ?
Ag1 P22 C231 126.4(7) . . . ?
C22 P22 C23 101.9(9) . . . ?
C22 P22 C231 102.6(8) . . . ?
C23 P22 C231 104.7(9) . . . ?
Ag2 P23 C24 123.2(6) . . . ?
Ag2 P23 C25 104.7(7) . . . ?
Ag2 P23 C241 118.9(5) . . . ?
C24 P23 C25 103.3(9) . . . ?
C24 P23 C241 100.4(7) . . . ?
C25 P23 C241 104.1(9) . . . ?
Ag3 P32 C32 106.0(7) . . . ?
Ag3 P32 C33 112.8(8) . . . ?
Ag3 P32 C331 125.0(6) . . . ?
C32 P32 C33 105.3(10) . . . ?
C32 P32 C331 104.1(9) . . . ?
C33 P32 C331 101.8(9) . . . ?
Ag4 P33 C34 113.6(8) . . . ?
Ag4 P33 C35 107.6(7) . . . ?
Ag4 P33 C341 122.3(6) . . . ?
C34 P33 C35 103.2(10) . . . ?
C34 P33 C341 104.5(9) . . . ?
C35 P33 C341 103.7(10) . . . ?
Ag3 P42 C42 105.4(7) . . . ?
Ag3 P42 C43 115.6(7) . . . ?
Ag3 P42 C431 126.6(8) . . . ?
C42 P42 C43 105.1(10) . . . ?
C42 P42 C431 101.1(11) . . . ?
C43 P42 C431 100.5(9) . . . ?
Ag4 P43 C44 117.8(7) . . . ?
Ag4 P43 C45 105.2(8) . . . ?
Ag4 P43 C441 119.8(8) . . . ?
C44 P43 C45 102.8(10) . . . ?
C44 P43 C441 103.8(9) . . . ?
C45 P43 C441 105.6(10) . . . ?
P1 F12a F12b 74.0(12) . . . ?
P1 F12a F13b 62.2(9) . . . ?
F12b F12a F13b 136.2(17) . . . ?
P1 F12b F12a 72.5(13) . . . ?
P1 F12b F16a 60.9(9) . . . ?
F12a F12b F16a 133.5(17) . . . ?
P1 F13a F13b 73.0(15) . . . ?
P1 F13a F15b 61.2(9) . . . ?
F13b F13a F15b 134.0(19) . . . ?
P1 F13b F12a 61.8(9) . . . ?
P1 F13b F13a 73.0(14) . . . ?
F12a F13b F13a 134.7(17) . . . ?
P1 F15a F15b 72.6(13) . . . ?
P1 F15a F16b 61.0(8) . . . ?
F15b F15a F16b 133.6(16) . . . ?
P1 F15b F13a 61.8(9) . . . ?
P1 F15b F15a 74.5(14) . . . ?
F13a F15b F15a 136.2(19) . . . ?
P1 F16a F12b 61.5(9) . . . ?
P1 F16a F16b 74.3(16) . . . ?
F12b F16a F16b 136(2) . . . ?
P1 F16b F15a 61.4(9) . . . ?
P1 F16b F16a 74.0(14) . . . ?
F15a F16b F16a 135.4(18) . . . ?
As11 C11 C12 114.8(12) . . . ?
As11 C11 H11A 108.1(13) . . . ?
As11 C11 H11B 108.1(14) . . . ?
C12 C11 H11A 108.1(16) . . . ?
C12 C11 H11B 108.1(16) . . . ?
H11A C11 H11B 109.5(18) . . . ?
P12 C12 C11 113.2(12) . . . ?
P12 C12 H12A 108.5(14) . . . ?
P12 C12 H12B 108.5(14) . . . ?
C11 C12 H12A 108.5(16) . . . ?
C11 C12 H12B 108.5(16) . . . ?
H12A C12 H12B 109.5(17) . . . ?
P12 C13 C14 110.3(12) . . . ?
P12 C13 H13A 109.3(14) . . . ?
P12 C13 H13B 109.3(13) . . . ?
C14 C13 H13A 109.3(15) . . . ?
C14 C13 H13B 109.3(16) . . . ?
H13A C13 H13B 109.5(16) . . . ?
P13 C14 C13 113.8(12) . . . ?
P13 C14 H14A 108.4(14) . . . ?
P13 C14 H14B 108.4(14) . . . ?
C13 C14 H14A 108.4(16) . . . ?
C13 C14 H14B 108.4(16) . . . ?
H14A C14 H14B 109.5(17) . . . ?
P13 C15 C16 112.8(12) . . . ?
P13 C15 H15A 108.6(14) . . . ?
P13 C15 H15B 108.6(13) . . . ?
C16 C15 H15A 108.6(15) . . . ?
C16 C15 H15B 108.6(16) . . . ?
H15A C15 H15B 109.5(18) . . . ?
As14 C16 C15 108.0(12) . . . ?
As14 C16 H16A 109.8(13) . . . ?
As14 C16 H16B 109.8(14) . . . ?
C15 C16 H16A 109.8(17) . . . ?
C15 C16 H16B 109.8(15) . . . ?
H16A C16 H16B 109.5(18) . . . ?
As21 C21 C22 110.0(12) . . . ?
As21 C21 H21A 109.3(15) . . . ?
As21 C21 H21B 109.3(15) . . . ?
C22 C21 H21A 109.3(17) . . . ?
C22 C21 H21B 109.3(17) . . . ?
H21A C21 H21B 109.5(18) . . . ?
P22 C22 C21 112.3(13) . . . ?
P22 C22 H22A 108.8(15) . . . ?
P22 C22 H22B 108.8(14) . . . ?
C21 C22 H22A 108.8(16) . . . ?
C21 C22 H22B 108.8(17) . . . ?
H22A C22 H22B 109(2) . . . ?
P22 C23 C24 112.9(13) . . . ?
P22 C23 H23A 108.6(14) . . . ?
P22 C23 H23B 108.6(16) . . . ?
C24 C23 H23A 108.6(18) . . . ?
C24 C23 H23B 108.6(16) . . . ?
H23A C23 H23B 109(2) . . . ?
P23 C24 C23 108.6(12) . . . ?
P23 C24 H24A 109.7(13) . . . ?
P23 C24 H24B 109.7(14) . . . ?
C23 C24 H24A 109.7(16) . . . ?
C23 C24 H24B 109.7(15) . . . ?
H24A C24 H24B 109.5(17) . . . ?
P23 C25 C26 112.1(14) . . . ?
P23 C25 H25A 108.8(16) . . . ?
P23 C25 H25B 108.8(15) . . . ?
C26 C25 H25A 108.8(17) . . . ?
C26 C25 H25B 109(2) . . . ?
H25A C25 H25B 109(2) . . . ?
As24 C26 C25 113.6(13) . . . ?
As24 C26 H26A 108.4(13) . . . ?
As24 C26 H26B 108.4(14) . . . ?
C25 C26 H26A 108.4(17) . . . ?
C25 C26 H26B 108.4(16) . . . ?
H26A C26 H26B 109.5(19) . . . ?
As31 C31 C32 114.3(15) . . . ?
As31 C31 H31A 108.3(16) . . . ?
As31 C31 H31B 108.3(17) . . . ?
C32 C31 H31A 108(2) . . . ?
C32 C31 H31B 108.2(18) . . . ?
H31A C31 H31B 109(2) . . . ?
P32 C32 C31 112.9(15) . . . ?
P32 C32 H32A 108.6(16) . . . ?
P32 C32 H32B 108.6(14) . . . ?
C31 C32 H32A 108.6(17) . . . ?
C31 C32 H32B 109(2) . . . ?
H32A C32 H32B 109(2) . . . ?
P32 C33 C34 115.5(16) . . . ?
P32 C33 H33A 108.0(18) . . . ?
P32 C33 H33B 107.9(16) . . . ?
C34 C33 H33A 108(2) . . . ?
C34 C33 H33B 108(2) . . . ?
H33A C33 H33B 109(2) . . . ?
P33 C34 C33 114.0(15) . . . ?
P33 C34 H34A 108.3(17) . . . ?
P33 C34 H34B 108.4(17) . . . ?
C33 C34 H34A 108(2) . . . ?
C33 C34 H34B 108(2) . . . ?
H34A C34 H34B 109(2) . . . ?
P33 C35 C36 114.4(16) . . . ?
P33 C35 H35A 108.2(16) . . . ?
P33 C35 H35B 108.2(17) . . . ?
C36 C35 H35A 108(2) . . . ?
C36 C35 H35B 108.2(19) . . . ?
H35A C35 H35B 109(2) . . . ?
As34 C36 C35 111.7(16) . . . ?
As34 C36 H36A 109(2) . . . ?
As34 C36 H36B 109(2) . . . ?
C35 C36 H36A 109(2) . . . ?
C35 C36 H36B 109(2) . . . ?
H36A C36 H36B 109(2) . . . ?
As41 C41 C42 111.5(15) . . . ?
As41 C41 H41A 109.0(15) . . . ?
As41 C41 H41B 109.0(17) . . . ?
C42 C41 H41A 109(2) . . . ?
C42 C41 H41B 109.0(18) . . . ?
H41A C41 H41B 109(2) . . . ?
P42 C42 C41 113.9(16) . . . ?
P42 C42 H42A 108.4(18) . . . ?
P42 C42 H42B 108.3(16) . . . ?
C41 C42 H42A 108.4(18) . . . ?
C41 C42 H42B 108(2) . . . ?
H42A C42 H42B 109(2) . . . ?
P42 C43 C44 113.8(13) . . . ?
P42 C43 H43A 108.3(16) . . . ?
P42 C43 H43B 108.4(16) . . . ?
C44 C43 H43A 108.4(19) . . . ?
C44 C43 H43B 108.4(18) . . . ?
H43A C43 H43B 109(2) . . . ?
P43 C44 C43 110.1(13) . . . ?
P43 C44 H44A 109.3(14) . . . ?
P43 C44 H44B 109.3(16) . . . ?
C43 C44 H44A 109.3(18) . . . ?
C43 C44 H44B 109.3(17) . . . ?
H44A C44 H44B 109.5(18) . . . ?
P43 C45 C46 113.4(17) . . . ?
P43 C45 H45A 108.5(17) . . . ?
P43 C45 H45B 108.5(17) . . . ?
C46 C45 H45A 108(2) . . . ?
C46 C45 H45B 108(2) . . . ?
H45A C45 H45B 109(2) . . . ?
As44 C46 C45 109.5(15) . . . ?
As44 C46 H46A 109.5(18) . . . ?
As44 C46 H46B 109.5(19) . . . ?
C45 C46 H46A 109(2) . . . ?
C45 C46 H46B 109(2) . . . ?
H46A C46 H46B 109(2) . . . ?
As11 C111 C112 114.6(17) . . . ?
As11 C111 C116 125.2(15) . . . ?
C112 C111 C116 120(2) . . . ?
C111 C112 C113 119.9(17) . . . ?
C111 C112 H112 120(3) . . . ?
C113 C112 H112 120(3) . . . ?
C112 C113 C114 120.0(17) . . . ?
C112 C113 H113 120(3) . . . ?
C114 C113 H113 120(2) . . . ?
C113 C114 C115 120(2) . . . ?
C113 C114 H114 120(2) . . . ?
C115 C114 H114 120(2) . . . ?
C114 C115 C116 120.0(17) . . . ?
C114 C115 H115 120(3) . . . ?
C116 C115 H115 120(3) . . . ?
C111 C116 C115 120.1(17) . . . ?
C111 C116 H116 120(2) . . . ?
C115 C116 H116 120(3) . . . ?
As11 C121 C122 118.5(12) . . . ?
As11 C121 C126 121.1(11) . . . ?
C122 C121 C126 120.0(14) . . . ?
C121 C122 C123 120.0(13) . . . ?
C121 C122 H122 120.0(16) . . . ?
C123 C122 H122 120.0(17) . . . ?
C122 C123 C124 120.0(13) . . . ?
C122 C123 H123 120.0(17) . . . ?
C124 C123 H123 120.0(15) . . . ?
C123 C124 C125 120.0(14) . . . ?
C123 C124 H124 120.0(15) . . . ?
C125 C124 H124 120.0(15) . . . ?
C124 C125 C126 119.9(13) . . . ?
C124 C125 H125 120.0(16) . . . ?
C126 C125 H125 120.0(17) . . . ?
C121 C126 C125 120.0(13) . . . ?
C121 C126 H126 120.0(15) . . . ?
C125 C126 H126 120.0(17) . . . ?
P12 C131 C132 119.4(9) . . . ?
P12 C131 C136 120.4(10) . . . ?
C132 C131 C136 120.0(12) . . . ?
C131 C132 C133 120.0(10) . . . ?
C131 C132 H132 120.0(14) . . . ?
C133 C132 H132 120.0(15) . . . ?
C132 C133 C134 120.0(10) . . . ?
C132 C133 H133 120.0(13) . . . ?
C134 C133 H133 120.0(13) . . . ?
C133 C134 C135 120.0(12) . . . ?
C133 C134 H134 120.0(12) . . . ?
C135 C134 H134 120.0(12) . . . ?
C134 C135 C136 120.0(10) . . . ?
C134 C135 H135 120.0(14) . . . ?
C136 C135 H135 120.0(15) . . . ?
C131 C136 C135 120.0(10) . . . ?
C131 C136 H136 120.0(13) . . . ?
C135 C136 H136 120.0(13) . . . ?
P13 C141 C142 118.5(14) . . . ?
P13 C141 C146 121.5(13) . . . ?
C142 C141 C146 119.9(13) . . . ?
C141 C142 C143 120.1(16) . . . ?
C141 C142 H142 120.0(15) . . . ?
C143 C142 H142 120.0(16) . . . ?
C142 C143 C144 120.0(13) . . . ?
C142 C143 H143 120.0(17) . . . ?
C144 C143 H143 120.0(16) . . . ?
C143 C144 C145 120.0(13) . . . ?
C143 C144 H144 120.0(18) . . . ?
C145 C144 H144 120.0(19) . . . ?
C144 C145 C146 120.0(16) . . . ?
C144 C145 H145 120.0(15) . . . ?
C146 C145 H145 120.0(16) . . . ?
C141 C146 C145 120.1(13) . . . ?
C141 C146 H146 120.0(16) . . . ?
C145 C146 H146 120.0(17) . . . ?
As14 C151 C152 118.4(9) . . . ?
As14 C151 C156 121.4(9) . . . ?
C152 C151 C156 120.0(10) . . . ?
C151 C152 C153 120.0(11) . . . ?
C151 C152 H152 120.0(11) . . . ?
C153 C152 H152 120.0(13) . . . ?
C152 C153 C154 120.0(10) . . . ?
C152 C153 H153 120.0(13) . . . ?
C154 C153 H153 120.0(12) . . . ?
C153 C154 C155 120.1(10) . . . ?
C153 C154 H154 120.0(12) . . . ?
C155 C154 H154 120.0(12) . . . ?
C154 C155 C156 119.9(11) . . . ?
C154 C155 H155 120.0(11) . . . ?
C156 C155 H155 120.0(13) . . . ?
C151 C156 C155 120.0(10) . . . ?
C151 C156 H156 120.0(12) . . . ?
C155 C156 H156 120.0(13) . . . ?
As14 C161 C162 117.7(9) . . . ?
As14 C161 C166 122.4(10) . . . ?
C162 C161 C166 119.9(11) . . . ?
C161 C162 C163 120.1(10) . . . ?
C161 C162 H162 119.9(13) . . . ?
C163 C162 H162 119.9(13) . . . ?
C162 C163 C164 119.9(12) . . . ?
C162 C163 H163 120.0(12) . . . ?
C164 C163 H163 120.0(13) . . . ?
C163 C164 C165 120.0(11) . . . ?
C163 C164 H164 120.0(13) . . . ?
C165 C164 H164 120.0(12) . . . ?
C164 C165 C166 120.0(10) . . . ?
C164 C165 H165 120.0(13) . . . ?
C166 C165 H165 120.0(13) . . . ?
C161 C166 C165 119.9(12) . . . ?
C161 C166 H166 120.0(13) . . . ?
C165 C166 H166 120.0(12) . . . ?
As21 C211 C212 117.0(9) . . . ?
As21 C211 C216 123.0(12) . . . ?
C212 C211 C216 119.9(13) . . . ?
C211 C212 C213 120.1(10) . . . ?
C211 C212 H212 120.0(15) . . . ?
C213 C212 H212 120.0(14) . . . ?
C212 C213 C214 120.0(13) . . . ?
C212 C213 H213 120.0(12) . . . ?
C214 C213 H213 120.0(16) . . . ?
C213 C214 C215 120.0(13) . . . ?
C213 C214 H214 120.0(16) . . . ?
C215 C214 H214 120.0(13) . . . ?
C214 C215 C216 120.0(10) . . . ?
C214 C215 H215 120.0(15) . . . ?
C216 C215 H215 120.0(14) . . . ?
C211 C216 C215 120.0(13) . . . ?
C211 C216 H216 120.0(16) . . . ?
C215 C216 H216 120.0(12) . . . ?
As21 C221 C222 119.1(9) . . . ?
As21 C221 C226 120.8(9) . . . ?
C222 C221 C226 120.0(11) . . . ?
C221 C222 C223 120.0(11) . . . ?
C221 C222 H222 120.0(13) . . . ?
C223 C222 H222 120.0(13) . . . ?
C222 C223 C224 120.0(10) . . . ?
C222 C223 H223 120.0(13) . . . ?
C224 C223 H223 120.0(13) . . . ?
C223 C224 C225 120.0(11) . . . ?
C223 C224 H224 120.0(12) . . . ?
C225 C224 H224 120.0(12) . . . ?
C224 C225 C226 120.0(11) . . . ?
C224 C225 H225 120.0(13) . . . ?
C226 C225 H225 120.0(13) . . . ?
C221 C226 C225 120.0(10) . . . ?
C221 C226 H226 120.0(13) . . . ?
C225 C226 H226 120.0(13) . . . ?
P22 C231 C232 119.7(15) . . . ?
P22 C231 C236 120.3(14) . . . ?
C232 C231 C236 120.0(15) . . . ?
C231 C232 C233 120.0(17) . . . ?
C231 C232 H232 120.0(17) . . . ?
C233 C232 H232 120.0(17) . . . ?
C232 C233 C234 119.9(15) . . . ?
C232 C233 H233 120.0(18) . . . ?
C234 C233 H233 120.1(18) . . . ?
C233 C234 C235 120.1(15) . . . ?
C233 C234 H234 119.9(19) . . . ?
C235 C234 H234 120(2) . . . ?
C234 C235 C236 120.0(17) . . . ?
C234 C235 H235 120.0(17) . . . ?
C236 C235 H235 120.0(17) . . . ?
C231 C236 C235 120.0(15) . . . ?
C231 C236 H236 120.0(18) . . . ?
C235 C236 H236 120.0(18) . . . ?
P23 C241 C242 120.3(10) . . . ?
P23 C241 C246 119.6(9) . . . ?
C242 C241 C246 119.9(11) . . . ?
C241 C242 C243 120.0(11) . . . ?
C241 C242 H242 120.0(13) . . . ?
C243 C242 H242 120.0(14) . . . ?
C242 C243 C244 120.0(11) . . . ?
C242 C243 H243 120.0(14) . . . ?
C244 C243 H243 120.0(12) . . . ?
C243 C244 C245 120.0(11) . . . ?
C243 C244 H244 120.0(12) . . . ?
C245 C244 H244 120.0(13) . . . ?
C244 C245 C246 119.9(11) . . . ?
C244 C245 H245 120.0(13) . . . ?
C246 C245 H245 120.0(14) . . . ?
C241 C246 C245 120.1(11) . . . ?
C241 C246 H246 120.0(12) . . . ?
C245 C246 H246 120.0(14) . . . ?
As24 C251 C252 118.9(10) . . . ?
As24 C251 C256 120.9(9) . . . ?
C252 C251 C256 120.0(11) . . . ?
C251 C252 C253 120.0(12) . . . ?
C251 C252 H252 120.0(14) . . . ?
C253 C252 H252 120.0(16) . . . ?
C252 C253 C254 120.0(12) . . . ?
C252 C253 H253 120.0(14) . . . ?
C254 C253 H253 120.0(12) . . . ?
C253 C254 C255 120.0(11) . . . ?
C253 C254 H254 120.0(13) . . . ?
C255 C254 H254 120.0(13) . . . ?
C254 C255 C256 120.0(12) . . . ?
C254 C255 H255 120.0(14) . . . ?
C256 C255 H255 120.0(16) . . . ?
C251 C256 C255 120.0(12) . . . ?
C251 C256 H256 120.0(12) . . . ?
C255 C256 H256 120.0(14) . . . ?
As24 C261 C262 115(2) . . . ?
As24 C261 C266 125(2) . . . ?
C262 C261 C266 120(3) . . . ?
C261 C262 C263 120(2) . . . ?
C261 C262 H262 120(4) . . . ?
C263 C262 H262 120(4) . . . ?
C262 C263 C264 120(2) . . . ?
C262 C263 H263 120(4) . . . ?
C264 C263 H263 120(3) . . . ?
C263 C264 C265 120(3) . . . ?
C263 C264 H264 120(3) . . . ?
C265 C264 H264 120(3) . . . ?
C264 C265 C266 120(2) . . . ?
C264 C265 H265 120(4) . . . ?
C266 C265 H265 120(4) . . . ?
C261 C266 C265 120(2) . . . ?
C261 C266 H266 120(3) . . . ?
C265 C266 H266 120(4) . . . ?
As31 C311 C312 118(2) . . . ?
As31 C311 C316 122(2) . . . ?
C312 C311 C316 120(2) . . . ?
C311 C312 C313 120(2) . . . ?
C311 C312 H312 120(3) . . . ?
C313 C312 H312 120(3) . . . ?
C312 C313 C314 120(2) . . . ?
C312 C313 H313 120(2) . . . ?
C314 C313 H313 120(3) . . . ?
C313 C314 C315 120(2) . . . ?
C313 C314 H314 120(3) . . . ?
C315 C314 H314 120(3) . . . ?
C314 C315 C316 120(2) . . . ?
C314 C315 H315 120(3) . . . ?
C316 C315 H315 120(3) . . . ?
C311 C316 C315 120(2) . . . ?
C311 C316 H316 120(3) . . . ?
C315 C316 H316 120(2) . . . ?
As31 C321 C322 116.5(16) . . . ?
As31 C321 C326 123.4(17) . . . ?
C322 C321 C326 120.0(17) . . . ?
C321 C322 C323 120(2) . . . ?
C321 C322 H322 120(2) . . . ?
C323 C322 H322 120(2) . . . ?
C322 C323 C324 120.0(18) . . . ?
C322 C323 H323 120(2) . . . ?
C324 C323 H323 120(2) . . . ?
C323 C324 C325 120.0(17) . . . ?
C323 C324 H324 120(2) . . . ?
C325 C324 H324 120(2) . . . ?
C324 C325 C326 120(2) . . . ?
C324 C325 H325 120(2) . . . ?
C326 C325 H325 120(2) . . . ?
C321 C326 C325 120.0(18) . . . ?
C321 C326 H326 120(2) . . . ?
C325 C326 H326 120(2) . . . ?
P32 C331 C332 117.4(11) . . . ?
P32 C331 C336 122.6(11) . . . ?
C332 C331 C336 120.0(12) . . . ?
C331 C332 C333 119.9(11) . . . ?
C331 C332 H332 120.0(15) . . . ?
C333 C332 H332 120.0(13) . . . ?
C332 C333 C334 120.1(12) . . . ?
C332 C333 H333 119.9(13) . . . ?
C334 C333 H333 119.9(13) . . . ?
C333 C334 C335 119.9(12) . . . ?
C333 C334 H334 120.1(14) . . . ?
C335 C334 H334 120.1(15) . . . ?
C334 C335 C336 120.1(11) . . . ?
C334 C335 H335 120.0(15) . . . ?
C336 C335 H335 120.0(13) . . . ?
C331 C336 C335 120.0(12) . . . ?
C331 C336 H336 120.0(13) . . . ?
C335 C336 H336 120.0(13) . . . ?
P33 C341 C342 118.7(11) . . . ?
P33 C341 C346 121.1(13) . . . ?
C342 C341 C346 120.0(14) . . . ?
C341 C342 C343 119.9(13) . . . ?
C341 C342 H342 120.0(15) . . . ?
C343 C342 H342 120.0(16) . . . ?
C342 C343 C344 120.0(14) . . . ?
C342 C343 H343 120.0(16) . . . ?
C344 C343 H343 120.0(18) . . . ?
C343 C344 C345 120.1(14) . . . ?
C343 C344 H344 120.0(16) . . . ?
C345 C344 H344 120.0(14) . . . ?
C344 C345 C346 120.0(13) . . . ?
C344 C345 H345 120.0(15) . . . ?
C346 C345 H345 120.0(16) . . . ?
C341 C346 C345 120.0(14) . . . ?
C341 C346 H346 120.0(18) . . . ?
C345 C346 H346 120.0(16) . . . ?
As34 C351 C352 119(3) . . . ?
As34 C351 C356 121(4) . . . ?
C352 C351 C356 120(3) . . . ?
C351 C352 C353 120(4) . . . ?
C351 C352 H352 120(4) . . . ?
C353 C352 H352 120(4) . . . ?
C352 C353 C354 120(3) . . . ?
C352 C353 H353 120(4) . . . ?
C354 C353 H353 120(5) . . . ?
C353 C354 C355 120(3) . . . ?
C353 C354 H354 120(5) . . . ?
C355 C354 H354 120(5) . . . ?
C354 C355 C356 120(4) . . . ?
C354 C355 H355 120(4) . . . ?
C356 C355 H355 120(4) . . . ?
C351 C356 C355 120(3) . . . ?
C351 C356 H356 120(5) . . . ?
C355 C356 H356 120(4) . . . ?
As34 C361a C362a 110(3) . . . ?
As34 C361a C366a 129(3) . . . ?
As34 C361a C361b 78(4) . . . ?
As34 C361a C366b 136(4) . . . ?
C362a C361a C366a 120(3) . . . ?
C362a C361a C361b 33(4) . . . ?
C362a C361a C366b 68(3) . . . ?
C366a C361a C361b 148(5) . . . ?
C366a C361a C366b 74(4) . . . ?
C361b C361a C366b 97(6) . . . ?
C361a C362a C363a 120(3) . . . ?
C361a C362a C361b 26(4) . . . ?
C361a C362a C362b 101(4) . . . ?
C361a C362a C366b 47(3) . . . ?
C361a C362a H362a 120(4) . . . ?
C363a C362a C361b 142(5) . . . ?
C363a C362a C362b 94(4) . . . ?
C363a C362a C366b 89(3) . . . ?
C363a C362a H362a 120(4) . . . ?
C361b C362a C362b 86(5) . . . ?
C361b C362a C366b 70(4) . . . ?
C361b C362a H362a 96(4) . . . ?
C362b C362a C366b 141(5) . . . ?
C362b C362a H362a 76(3) . . . ?
C366b C362a H362a 135(4) . . . ?
C362a C363a C364a 120(3) . . . ?
C362a C363a C363b 86(4) . . . ?
C362a C363a C364b 167(6) . . . ?
C362a C363a C365b 91(3) . . . ?
C362a C363a H363a 120(4) . . . ?
C364a C363a C363b 113(4) . . . ?
C364a C363a C364b 47(4) . . . ?
C364a C363a C365b 50(3) . . . ?
C364a C363a H363a 120(3) . . . ?
C363b C363a C364b 96(6) . . . ?
C363b C363a C365b 157(5) . . . ?
C363b C363a H363a 71(3) . . . ?
C364b C363a C365b 82(6) . . . ?
C364b C363a H363a 73(4) . . . ?
C365b C363a H363a 129(4) . . . ?
C363a C364a C365a 120(3) . . . ?
C363a C364a C364b 28(3) . . . ?
C363a C364a C365b 61(3) . . . ?
C363a C364a H364a 120(4) . . . ?
C365a C364a C364b 148(4) . . . ?
C365a C364a C365b 84(3) . . . ?
C365a C364a H364a 120(4) . . . ?
C364b C364a C365b 78(4) . . . ?
C364b C364a H364a 92(4) . . . ?
C365b C364a H364a 126(5) . . . ?
C364a C365a C366a 120(3) . . . ?
C364a C365a C365b 42(3) . . . ?
C364a C365a H365a 120(4) . . . ?
C366a C365a C365b 91(3) . . . ?
C366a C365a H365a 120(4) . . . ?
C365b C365a H365a 137(4) . . . ?
C361a C366a C365a 120(3) . . . ?
C361a C366a C366b 45(3) . . . ?
C361a C366a H366a 120(3) . . . ?
C365a C366a C366b 89(3) . . . ?
C365a C366a H366a 120(4) . . . ?
C366b C366a H366a 137(4) . . . ?
As34 C361b C361a 81(4) . . . ?
As34 C361b C362a 153(4) . . . ?
As34 C361b C362b 122(3) . . . ?
As34 C361b C366b 118(3) . . . ?
C361a C361b C362a 121(6) . . . ?
C361a C361b C362b 135(6) . . . ?
C361a C361b C366b 53(5) . . . ?
C362a C361b C362b 55(4) . . . ?
C362a C361b C366b 73(4) . . . ?
C362b C361b C366b 120(3) . . . ?
C362a C362b C361b 40(3) . . . ?
C362a C362b C363b 86(4) . . . ?
C362a C362b H362a 45(3) . . . ?
C362a C362b H362b 147(5) . . . ?
C361b C362b C363b 120(4) . . . ?
C361b C362b H362a 61(3) . . . ?
C361b C362b H362b 120(4) . . . ?
C363b C362b H362a 102(4) . . . ?
C363b C362b H362b 120(5) . . . ?
H362a C362b H362b 105(3) . . . ?
C363a C363b C362b 93(4) . . . ?
C363a C363b C364b 29(3) . . . ?
C363a C363b H363a 47(2) . . . ?
C363a C363b H363b 145(5) . . . ?
C362b C363b C364b 120(4) . . . ?
C362b C363b H363a 122(4) . . . ?
C362b C363b H363b 120(5) . . . ?
C364b C363b H363a 44(2) . . . ?
C364b C363b H363b 120(4) . . . ?
H363a C363b H363b 102(3) . . . ?
C363a C364b C364a 105(5) . . . ?
C363a C364b C363b 55(5) . . . ?
C363a C364b C365b 69(5) . . . ?
C363a C364b H363a 66(5) . . . ?
C363a C364b H364b 159(6) . . . ?
C364a C364b C363b 120(4) . . . ?
C364a C364b C365b 54(3) . . . ?
C364a C364b H363a 170(5) . . . ?
C364a C364b H364b 95(4) . . . ?
C363b C364b C365b 120(3) . . . ?
C363b C364b H363a 59(3) . . . ?
C363b C364b H364b 120(4) . . . ?
C365b C364b H363a 117(4) . . . ?
C365b C364b H364b 120(4) . . . ?
H363a C364b H364b 93(3) . . . ?
C363a C365b C364a 68(4) . . . ?
C363a C365b C365a 105(4) . . . ?
C363a C365b C364b 29(3) . . . ?
C363a C365b C366b 93(3) . . . ?
C363a C365b H365b 146(4) . . . ?
C364a C365b C365a 54(3) . . . ?
C364a C365b C364b 48(3) . . . ?
C364a C365b C366b 121(5) . . . ?
C364a C365b H365b 99(4) . . . ?
C365a C365b C364b 98(4) . . . ?
C365a C365b C366b 81(3) . . . ?
C365a C365b H365b 90(3) . . . ?
C364b C365b C366b 120(4) . . . ?
C364b C365b H365b 120(4) . . . ?
C366b C365b H365b 120(5) . . . ?
C361a C366b C362a 65(4) . . . ?
C361a C366b C366a 61(3) . . . ?
C361a C366b C361b 30(3) . . . ?
C361a C366b C365b 133(5) . . . ?
C361a C366b H366b 100(4) . . . ?
C362a C366b C366a 110(4) . . . ?
C362a C366b C361b 37(3) . . . ?
C362a C366b C365b 87(3) . . . ?
C362a C366b H366b 149(4) . . . ?
C366a C366b C361b 88(3) . . . ?
C366a C366b C365b 99(3) . . . ?
C366a C366b H366b 83(3) . . . ?
C361b C366b C365b 120(4) . . . ?
C361b C366b H366b 120(4) . . . ?
C365b C366b H366b 120(5) . . . ?
As41 C411 C412 115(2) . . . ?
As41 C411 C416 125(2) . . . ?
C412 C411 C416 120.0(19) . . . ?
C411 C412 C413 120(3) . . . ?
C411 C412 H412 120(2) . . . ?
C413 C412 H412 120(3) . . . ?
C412 C413 C414 120(2) . . . ?
C412 C413 H413 120(3) . . . ?
C414 C413 H413 120(3) . . . ?
C413 C414 C415 119.9(19) . . . ?
C413 C414 H414 120(3) . . . ?
C415 C414 H414 120(3) . . . ?
C414 C415 C416 120(3) . . . ?
C414 C415 H415 120(2) . . . ?
C416 C415 H415 120(3) . . . ?
C411 C416 C415 120(2) . . . ?
C411 C416 H416 120(3) . . . ?
C415 C416 H416 120(3) . . . ?
As41 C421 C422 122.4(13) . . . ?
As41 C421 C426 116.9(11) . . . ?
C422 C421 C426 120.0(14) . . . ?
C421 C422 C423 120.0(14) . . . ?
C421 C422 H422 120.0(18) . . . ?
C423 C422 H422 120.0(17) . . . ?
C422 C423 C424 119.9(13) . . . ?
C422 C423 H423 120.0(16) . . . ?
C424 C423 H423 120.0(15) . . . ?
C423 C424 C425 120.0(14) . . . ?
C423 C424 H424 120.0(15) . . . ?
C425 C424 H424 120.0(17) . . . ?
C424 C425 C426 120.0(14) . . . ?
C424 C425 H425 120.0(18) . . . ?
C426 C425 H425 120.0(17) . . . ?
C421 C426 C425 120.1(13) . . . ?
C421 C426 H426 120.0(15) . . . ?
C425 C426 H426 120.0(16) . . . ?
P42 C431 C432 117.7(16) . . . ?
P42 C431 C436 122.2(15) . . . ?
C432 C431 C436 120(2) . . . ?
C431 C432 C433 119.9(18) . . . ?
C431 C432 H432 120(2) . . . ?
C433 C432 H432 120(2) . . . ?
C432 C433 C434 120.0(17) . . . ?
C432 C433 H433 120(2) . . . ?
C434 C433 H433 120(2) . . . ?
C433 C434 C435 120(2) . . . ?
C433 C434 H434 120(2) . . . ?
C435 C434 H434 120(2) . . . ?
C434 C435 C436 119.9(18) . . . ?
C434 C435 H435 120(2) . . . ?
C436 C435 H435 120(2) . . . ?
C431 C436 C435 120.0(17) . . . ?
C431 C436 H436 120(2) . . . ?
C435 C436 H436 120(2) . . . ?
P43 C441 C442 116.9(16) . . . ?
P43 C441 C446 123.0(15) . . . ?
C442 C441 C446 120.1(17) . . . ?
C441 C442 C443 120.0(16) . . . ?
C441 C442 H442 120(2) . . . ?
C443 C442 H442 120(2) . . . ?
C442 C443 C444 120.0(17) . . . ?
C442 C443 H443 120(2) . . . ?
C444 C443 H443 120.0(19) . . . ?
C443 C444 C445 120.0(17) . . . ?
C443 C444 H444 120(2) . . . ?
C445 C444 H444 120(2) . . . ?
C444 C445 C446 120.0(16) . . . ?
C444 C445 H445 120(2) . . . ?
C446 C445 H445 120(2) . . . ?
C441 C446 C445 119.9(17) . . . ?
C441 C446 H446 120.0(19) . . . ?
C445 C446 H446 120(2) . . . ?
As44 C451 C452 117.7(12) . . . ?
As44 C451 C456 122.2(11) . . . ?
C452 C451 C456 120.0(14) . . . ?
C451 C452 C453 119.9(13) . . . ?
C451 C452 H452 120.0(17) . . . ?
C453 C452 H452 120.0(16) . . . ?
C452 C453 C454 120.0(13) . . . ?
C452 C453 H453 120.0(16) . . . ?
C454 C453 H453 120.0(15) . . . ?
C453 C454 C455 120.0(14) . . . ?
C453 C454 H454 120.0(14) . . . ?
C455 C454 H454 120.0(15) . . . ?
C454 C455 C456 120.0(13) . . . ?
C454 C455 H455 120.0(17) . . . ?
C456 C455 H455 120.0(16) . . . ?
C451 C456 C455 120.0(13) . . . ?
C451 C456 H456 120.0(15) . . . ?
C455 C456 H456 120.0(16) . . . ?
As44 C461 C462 117.3(12) . . . ?
As44 C461 C466 122.7(12) . . . ?
C462 C461 C466 120.0(14) . . . ?
C461 C462 C463 120.0(14) . . . ?
C461 C462 H462 120.0(16) . . . ?
C463 C462 H462 120(2) . . . ?
C462 C463 C464 120.0(14) . . . ?
C462 C463 H463 120.0(19) . . . ?
C464 C463 H463 120.0(17) . . . ?
C463 C464 C465 120.0(14) . . . ?
C463 C464 H464 120.0(17) . . . ?
C465 C464 H464 120.0(16) . . . ?
C464 C465 C466 120.0(14) . . . ?
C464 C465 H465 120.0(16) . . . ?
C466 C465 H465 120(2) . . . ?
C461 C466 C465 120.0(14) . . . ?
C461 C466 H466 120.0(16) . . . ?
C465 C466 H466 120.0(19) . . . ?
C362a H362a C362b 59(3) . . . ?
C363a H363a C363b 62(4) . . . ?
C363a H363a C364b 41(3) . . . ?
C363b H363a C364b 77(3) . . . ?
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
Ag1 As11 2.578(2) . . ?
Ag1 As21 2.601(2) . . ?
Ag1 P12 2.475(4) . . ?
Ag1 P22 2.490(5) . . ?
Ag2 As14 2.608(3) . . ?
Ag2 As24 2.586(3) . . ?
Ag2 P13 2.478(5) . . ?
Ag2 P23 2.465(5) . . ?
Ag3 As31 2.606(3) . . ?
Ag3 As41 2.608(3) . . ?
Ag3 P32 2.508(6) . . ?
Ag3 P42 2.495(6) . . ?
Ag4 As34 2.620(4) . . ?
Ag4 As44 2.606(3) . . ?
Ag4 P33 2.452(6) . . ?
Ag4 P43 2.452(6) . . ?
As11 C11 1.942(17) . . ?
As11 C111 1.97(3) . . ?
As11 C121 1.926(16) . . ?
As14 C16 1.932(19) . . ?
As14 C151 1.928(11) . . ?
As14 C161 1.932(12) . . ?
As21 C21 1.95(2) . . ?
As21 C211 1.931(13) . . ?
As21 C221 1.928(13) . . ?
As24 C26 1.990(19) . . ?
As24 C251 1.912(12) . . ?
As24 C261 1.95(4) . . ?
As31 C31 1.94(2) . . ?
As31 C311 1.88(2) . . ?
As31 C321 1.911(19) . . ?
As34 C36 1.92(3) . . ?
As34 C351 1.942(17) . . ?
As34 C361a 1.96(4) . . ?
As34 C361b 1.94(3) . . ?
As41 C41 1.94(2) . . ?
As41 C411 1.92(2) . . ?
As41 C421 1.903(16) . . ?
As44 C46 1.96(2) . . ?
As44 C451 1.934(16) . . ?
As44 C461 1.920(16) . . ?
P1 F11 1.581(15) . . ?
P1 F12a 1.577(14) . . ?
P1 F12b 1.588(15) . . ?
P1 F13a 1.583(17) . . ?
P1 F13b 1.583(15) . . ?
P1 F14 1.583(14) . . ?
P1 F15a 1.589(15) . . ?
P1 F15b 1.573(16) . . ?
P1 F16a 1.580(17) . . ?
P1 F16b 1.583(15) . . ?
P2 F21 1.57(2) . . ?
P2 F22 1.587(19) . . ?
P2 F23 1.60(2) . . ?
P2 F24 1.57(3) . . ?
P2 F25 1.55(2) . . ?
P2 F26 1.54(3) . . ?
P3 F31 1.59(2) . . ?
P3 F32 1.571(17) . . ?
P3 F33 1.532(19) . . ?
P3 F34 1.59(2) . . ?
P3 F35 1.603(15) . . ?
P3 F36 1.601(17) . . ?
P4 F41 1.56(2) . . ?
P4 F42 1.64(3) . . ?
P4 F43 1.54(2) . . ?
P4 F44 1.60(2) . . ?
P4 F45 1.51(3) . . ?
P4 F46 1.59(2) . . ?
P12 C12 1.840(18) . . ?
P12 C13 1.832(19) . . ?
P12 C131 1.818(15) . . ?
P13 C14 1.82(2) . . ?
P13 C15 1.815(18) . . ?
P13 C141 1.826(13) . . ?
P22 C22 1.835(18) . . ?
P22 C23 1.82(2) . . ?
P22 C231 1.816(16) . . ?
P23 C24 1.852(19) . . ?
P23 C25 1.83(2) . . ?
P23 C241 1.817(14) . . ?
P32 C32 1.82(2) . . ?
P32 C33 1.84(2) . . ?
P32 C331 1.841(14) . . ?
P33 C34 1.82(2) . . ?
P33 C35 1.84(2) . . ?
P33 C341 1.802(17) . . ?
P42 C42 1.84(2) . . ?
P42 C43 1.85(2) . . ?
P42 C431 1.82(2) . . ?
P43 C44 1.819(19) . . ?
P43 C45 1.84(2) . . ?
P43 C441 1.81(2) . . ?
F12a F12b .91(3) . . ?
F12a F13b 1.48(3) . . ?
F12b F16a 1.53(2) . . ?
F13a F13b .92(3) . . ?
F13a F15b 1.50(2) . . ?
F15a F15b .89(3) . . ?
F15a F16b 1.53(3) . . ?
F16a F16b .86(3) . . ?
C11 C12 1.55(3) . . ?
C11 H11A .95(2) . . ?
C11 H11B .950(17) . . ?
C12 H12A .950(17) . . ?
C12 H12B .95(2) . . ?
C13 C14 1.53(2) . . ?
C13 H13A .950(16) . . ?
C13 H13B .950(18) . . ?
C14 H14A .950(16) . . ?
C14 H14B .950(19) . . ?
C15 C16 1.57(3) . . ?
C15 H15A .950(17) . . ?
C15 H15B .950(18) . . ?
C16 H16A .950(18) . . ?
C16 H16B .950(17) . . ?
C21 C22 1.56(3) . . ?
C21 H21A .95(2) . . ?
C21 H21B .950(17) . . ?
C22 H22A .95(2) . . ?
C22 H22B .95(2) . . ?
C23 C24 1.54(2) . . ?
C23 H23A .95(2) . . ?
C23 H23B .95(2) . . ?
C24 H24A .950(17) . . ?
C24 H24B .950(18) . . ?
C25 C26 1.53(3) . . ?
C25 H25A .95(2) . . ?
C25 H25B .95(2) . . ?
C26 H26A .950(17) . . ?
C26 H26B .950(18) . . ?
C31 C32 1.50(3) . . ?
C31 H31A .95(2) . . ?
C31 H31B .95(2) . . ?
C32 H32A .950(19) . . ?
C32 H32B .95(2) . . ?
C33 C34 1.51(3) . . ?
C33 H33A .95(2) . . ?
C33 H33B .95(2) . . ?
C34 H34A .95(2) . . ?
C34 H34B .95(2) . . ?
C35 C36 1.55(3) . . ?
C35 H35A .95(2) . . ?
C35 H35B .95(2) . . ?
C36 H36A .95(3) . . ?
C36 H36B .95(2) . . ?
C41 C42 1.53(3) . . ?
C41 H41A .95(2) . . ?
C41 H41B .95(2) . . ?
C42 H42A .95(2) . . ?
C42 H42B .95(2) . . ?
C43 C44 1.56(3) . . ?
C43 H43A .95(2) . . ?
C43 H43B .95(2) . . ?
C44 H44A .95(2) . . ?
C44 H44B .950(19) . . ?
C45 C46 1.57(3) . . ?
C45 H45A .95(2) . . ?
C45 H45B .95(2) . . ?
C46 H46A .95(2) . . ?
C46 H46B .95(2) . . ?
C111 C112 1.40(4) . . ?
C111 C116 1.40(4) . . ?
C112 C113 1.40(4) . . ?
C112 H112 .950(15) . . ?
C113 C114 1.40(4) . . ?
C113 H113 .950(15) . . ?
C114 C115 1.40(4) . . ?
C114 H114 .95(3) . . ?
C115 C116 1.40(4) . . ?
C115 H115 .950(15) . . ?
C116 H116 .950(15) . . ?
C121 C122 1.40(2) . . ?
C121 C126 1.40(2) . . ?
C122 C123 1.40(2) . . ?
C122 H122 .950(13) . . ?
C123 C124 1.40(2) . . ?
C123 H123 .950(14) . . ?
C124 C125 1.40(2) . . ?
C124 H124 .950(16) . . ?
C125 C126 1.40(2) . . ?
C125 H125 .950(13) . . ?
C126 H126 .950(14) . . ?
C131 C132 1.40(2) . . ?
C131 C136 1.401(18) . . ?
C132 C133 1.399(19) . . ?
C132 H132 .950(10) . . ?
C133 C134 1.401(18) . . ?
C133 H133 .950(10) . . ?
C134 C135 1.40(2) . . ?
C134 H134 .950(14) . . ?
C135 C136 1.400(19) . . ?
C135 H135 .950(10) . . ?
C136 H136 .950(10) . . ?
C141 C142 1.40(3) . . ?
C141 C146 1.40(3) . . ?
C142 C143 1.40(2) . . ?
C142 H142 .950(19) . . ?
C143 C144 1.40(3) . . ?
C143 H143 .950(13) . . ?
C144 C145 1.40(3) . . ?
C144 H144 .950(12) . . ?
C145 C146 1.40(2) . . ?
C145 H145 .950(19) . . ?
C146 H146 .950(13) . . ?
C151 C152 1.399(18) . . ?
C151 C156 1.400(18) . . ?
C152 C153 1.399(17) . . ?
C152 H152 .950(12) . . ?
C153 C154 1.400(18) . . ?
C153 H153 .950(11) . . ?
C154 C155 1.399(18) . . ?
C154 H154 .950(11) . . ?
C155 C156 1.400(17) . . ?
C155 H155 .950(12) . . ?
C156 H156 .950(11) . . ?
C161 C162 1.399(19) . . ?
C161 C166 1.402(17) . . ?
C162 C163 1.40(2) . . ?
C162 H162 .950(11) . . ?
C163 C164 1.400(17) . . ?
C163 H163 .950(13) . . ?
C164 C165 1.400(19) . . ?
C164 H164 .950(12) . . ?
C165 C166 1.40(2) . . ?
C165 H165 .950(11) . . ?
C166 H166 .950(13) . . ?
C211 C212 1.40(2) . . ?
C211 C216 1.402(18) . . ?
C212 C213 1.40(2) . . ?
C212 H212 .950(11) . . ?
C213 C214 1.401(18) . . ?
C213 H213 .950(15) . . ?
C214 C215 1.40(2) . . ?
C214 H214 .950(13) . . ?
C215 C216 1.40(2) . . ?
C215 H215 .950(11) . . ?
C216 H216 .950(15) . . ?
C221 C222 1.399(18) . . ?
C221 C226 1.401(18) . . ?
C222 C223 1.401(19) . . ?
C222 H222 .950(12) . . ?
C223 C224 1.400(18) . . ?
C223 H223 .950(11) . . ?
C224 C225 1.399(18) . . ?
C224 H224 .950(13) . . ?
C225 C226 1.400(19) . . ?
C225 H225 .950(12) . . ?
C226 H226 .950(11) . . ?
C231 C232 1.40(3) . . ?
C231 C236 1.40(3) . . ?
C232 C233 1.40(3) . . ?
C232 H232 .950(19) . . ?
C233 C234 1.40(3) . . ?
C233 H233 .950(15) . . ?
C234 C235 1.40(3) . . ?
C234 H234 .950(15) . . ?
C235 C236 1.40(3) . . ?
C235 H235 .950(19) . . ?
C236 H236 .950(15) . . ?
C241 C242 1.40(2) . . ?
C241 C246 1.40(2) . . ?
C242 C243 1.400(18) . . ?
C242 H242 .950(12) . . ?
C243 C244 1.40(2) . . ?
C243 H243 .950(11) . . ?
C244 C245 1.40(2) . . ?
C244 H244 .950(13) . . ?
C245 C246 1.399(18) . . ?
C245 H245 .950(12) . . ?
C246 H246 .950(11) . . ?
C251 C252 1.40(2) . . ?
C251 C256 1.40(2) . . ?
C252 C253 1.399(18) . . ?
C252 H252 .950(12) . . ?
C253 C254 1.40(2) . . ?
C253 H253 .950(13) . . ?
C254 C255 1.40(2) . . ?
C254 H254 .950(12) . . ?
C255 C256 1.399(18) . . ?
C255 H255 .950(12) . . ?
C256 H256 .950(13) . . ?
C261 C262 1.40(5) . . ?
C261 C266 1.40(5) . . ?
C262 C263 1.40(5) . . ?
C262 H262 .950(12) . . ?
C263 C264 1.40(5) . . ?
C263 H263 .95(2) . . ?
C264 C265 1.40(5) . . ?
C264 H264 .95(4) . . ?
C265 C266 1.40(5) . . ?
C265 H265 .950(12) . . ?
C266 H266 .95(2) . . ?
C311 C312 1.40(4) . . ?
C311 C316 1.40(4) . . ?
C312 C313 1.40(4) . . ?
C312 H312 .95(2) . . ?
C313 C314 1.40(4) . . ?
C313 H313 .95(3) . . ?
C314 C315 1.40(4) . . ?
C314 H314 .95(2) . . ?
C315 C316 1.40(4) . . ?
C315 H315 .95(2) . . ?
C316 H316 .95(3) . . ?
C321 C322 1.40(3) . . ?
C321 C326 1.40(3) . . ?
C322 C323 1.40(3) . . ?
C322 H322 .95(2) . . ?
C323 C324 1.40(3) . . ?
C323 H323 .950(17) . . ?
C324 C325 1.40(3) . . ?
C324 H324 .950(19) . . ?
C325 C326 1.40(3) . . ?
C325 H325 .95(2) . . ?
C326 H326 .950(17) . . ?
C331 C332 1.40(2) . . ?
C331 C336 1.40(2) . . ?
C332 C333 1.40(2) . . ?
C332 H332 .950(11) . . ?
C333 C334 1.40(2) . . ?
C333 H333 .950(14) . . ?
C334 C335 1.40(2) . . ?
C334 H334 .950(13) . . ?
C335 C336 1.40(2) . . ?
C335 H335 .950(11) . . ?
C336 H336 .950(14) . . ?
C341 C342 1.40(2) . . ?
C341 C346 1.40(2) . . ?
C342 C343 1.40(2) . . ?
C342 H342 .950(14) . . ?
C343 C344 1.40(2) . . ?
C343 H343 .950(15) . . ?
C344 C345 1.40(2) . . ?
C344 H344 .950(16) . . ?
C345 C346 1.40(2) . . ?
C345 H345 .950(14) . . ?
C346 H346 .950(15) . . ?
C351 C352 1.40(7) . . ?
C351 C356 1.40(6) . . ?
C352 C353 1.40(7) . . ?
C352 H352 .95(5) . . ?
C353 C354 1.40(6) . . ?
C353 H353 .95(2) . . ?
C354 C355 1.40(7) . . ?
C354 H354 .950(17) . . ?
C355 C356 1.40(7) . . ?
C355 H355 .95(5) . . ?
C356 H356 .95(2) . . ?
C361a C362a 1.40(6) . . ?
C361a C366a 1.40(6) . . ?
C361a C361b .71(6) . . ?
C361a C366b 1.12(6) . . ?
C362a C363a 1.40(5) . . ?
C362a C361b .90(5) . . ?
C362a C362b 1.14(6) . . ?
C362a C366b 1.43(6) . . ?
C362a H362a .95(3) . . ?
C363a C364a 1.40(6) . . ?
C363a C363b 1.15(7) . . ?
C363a C364b .68(5) . . ?
C363a C365b 1.32(6) . . ?
C363a H363a .95(3) . . ?
C364a C365a 1.40(6) . . ?
C364a C364b 1.06(6) . . ?
C364a C365b 1.16(7) . . ?
C364a H364a .95(4) . . ?
C365a C366a 1.40(5) . . ?
C365a C365b 1.72(7) . . ?
C365a H365a .95(3) . . ?
C366a C366b 1.53(6) . . ?
C366a H366a .95(3) . . ?
C361b C362b 1.40(6) . . ?
C361b C366b 1.40(7) . . ?
C362b C363b 1.40(6) . . ?
C362b H362a 1.29(6) . . ?
C362b H362b .95(4) . . ?
C363b C364b 1.40(7) . . ?
C363b H363a 1.24(4) . . ?
C363b H363b .95(5) . . ?
C364b C365b 1.40(6) . . ?
C364b H363a .99(4) . . ?
C364b H364b .95(3) . . ?
C365b C366b 1.40(6) . . ?
C365b H365b .95(4) . . ?
C366b H366b .95(5) . . ?
C411 C412 1.40(5) . . ?
C411 C416 1.40(4) . . ?
C412 C413 1.40(4) . . ?
C412 H412 .95(3) . . ?
C413 C414 1.40(4) . . ?
C413 H413 .950(17) . . ?
C414 C415 1.40(5) . . ?
C414 H414 .95(2) . . ?
C415 C416 1.40(4) . . ?
C415 H415 .95(3) . . ?
C416 H416 .950(17) . . ?
C421 C422 1.40(2) . . ?
C421 C426 1.40(2) . . ?
C422 C423 1.40(2) . . ?
C422 H422 .950(14) . . ?
C423 C424 1.40(2) . . ?
C423 H423 .950(15) . . ?
C424 C425 1.40(2) . . ?
C424 H424 .950(16) . . ?
C425 C426 1.40(2) . . ?
C425 H425 .950(14) . . ?
C426 H426 .950(15) . . ?
C431 C432 1.40(3) . . ?
C431 C436 1.40(3) . . ?
C432 C433 1.40(3) . . ?
C432 H432 .95(2) . . ?
C433 C434 1.40(3) . . ?
C433 H433 .950(18) . . ?
C434 C435 1.40(3) . . ?
C434 H434 .95(2) . . ?
C435 C436 1.40(3) . . ?
C435 H435 .95(2) . . ?
C436 H436 .950(18) . . ?
C441 C442 1.40(3) . . ?
C441 C446 1.40(3) . . ?
C442 C443 1.40(3) . . ?
C442 H442 .950(16) . . ?
C443 C444 1.40(3) . . ?
C443 H443 .95(2) . . ?
C444 C445 1.40(3) . . ?
C444 H444 .950(18) . . ?
C445 C446 1.40(3) . . ?
C445 H445 .950(16) . . ?
C446 H446 .95(2) . . ?
C451 C452 1.40(2) . . ?
C451 C456 1.40(2) . . ?
C452 C453 1.40(2) . . ?
C452 H452 .950(12) . . ?
C453 C454 1.40(2) . . ?
C453 H453 .950(13) . . ?
C454 C455 1.40(2) . . ?
C454 H454 .950(16) . . ?
C455 C456 1.40(2) . . ?
C455 H455 .950(12) . . ?
C456 H456 .950(13) . . ?
C461 C462 1.40(3) . . ?
C461 C466 1.40(3) . . ?
C462 C463 1.40(2) . . ?
C462 H462 .950(15) . . ?
C463 C464 1.40(3) . . ?
C463 H463 .950(14) . . ?
C464 C465 1.40(3) . . ?
C464 H464 .950(16) . . ?
C465 C466 1.40(2) . . ?
C465 H465 .950(15) . . ?
C466 H466 .950(14) . . ?
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
? ? ? ? ? ?
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
? ? ? ? ? ? ? ? ? ?
loop_
_reflns_scale_group_code
_reflns_scale_meas_F
? 1.6364
