#------------------------------------------------------------------------------
#$Date: 2016-02-14 05:40:26 +0100 (Sun 14 de Feb de 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/10/7011094.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_7011094
loop_
_publ_author_name
'Michael I. Bruce'
'Ben C. Hall'
'Brian W. Skelton'
'Mark E. Smith'
'Allan H. White'
_publ_section_title
;
 Some molecular rods: gold(I) complexes of 1,3-diynes. Crystal
 structures of Au(CCCCH)(PPh3) and
 {Cu3(μ-dppm)3}(μ3-I)(μ3-CCCCAuCCCCH)
;
_journal_issue                   6
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              995
_journal_page_last               1001
_journal_paper_doi               10.1039/b107446f
_journal_year                    2002
_chemical_formula_sum            'C83 H67 Au Cu3 I P6'
_chemical_formula_weight         1764.8
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             99-04-01
_audit_creation_method           Xtal3.6
_cell_angle_alpha                90.00000
_cell_angle_beta                 105.1500(10)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            8
_cell_length_a                   30.858(2)
_cell_length_b                   26.3040(10)
_cell_length_c                   19.0257(9)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    153
_cell_measurement_theta_max      20.2
_cell_measurement_theta_min      2.4
_cell_volume                     14906.2(13)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'xtal ADDREF SORTRF'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      153
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .091
_diffrn_reflns_av_sigmaI/netI    .123
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            165056
_diffrn_reflns_theta_max         29.34
_diffrn_reflns_theta_min         1.03
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    3.393
_exptl_absorpt_correction_T_max  .72
_exptl_absorpt_correction_T_min  .56
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS, Sheldrick, 1996
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_description       prism
_exptl_crystal_F_000             6992
_exptl_crystal_size_max          .25
_exptl_crystal_size_mid          .13
_exptl_crystal_size_min          .06
_refine_diff_density_max         2.46
_refine_diff_density_min         -1.418
_refine_ls_goodness_of_fit_all   1.206
_refine_ls_goodness_of_fit_ref   1.221
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           atomblock
_refine_ls_number_constraints    0
_refine_ls_number_parameters     1694
_refine_ls_number_reflns         22941
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .093
_refine_ls_R_factor_gt           .045
_refine_ls_shift/su_max          .035
_refine_ls_shift/su_mean         .006
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .056
_refine_ls_wR_factor_ref         .043
_reflns_d_resolution_high        .725
_reflns_d_resolution_low         19.639
_reflns_Friedel_coverage         0
_reflns_limit_h_max              42
_reflns_limit_h_min              0
_reflns_limit_k_max              36
_reflns_limit_k_min              0
_reflns_limit_l_max              25
_reflns_limit_l_min              -26
_reflns_number_gt                22941
_reflns_number_total             38015
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            b107446f.txt
_cod_data_source_block           br565l
_cod_original_sg_symbol_Hall     -p_2ybc
_cod_original_sg_symbol_H-M      P_1_21/c_1
_cod_original_formula_sum        'C83 H67 Au1 Cu3 I1 P6'
_cod_database_code               7011094
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z
-x,1/2+y,1/2-z
-x,-y,-z
+x,1/2-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_adp_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 .380797(8) -.075694(8) .155903(13) .03422(11) Uani ? ? 1.00000 ? ?
I1 .353516(12) -.158216(12) -.335221(19) .02662(16) Uani ? ? 1.00000 ? ?
Cu11 .31426(2) -.18291(2) -.21629(3) .0233(3) Uani ? ? 1.00000 ? ?
Cu12 .40490(2) -.18386(2) -.19670(3) .0236(3) Uani ? ? 1.00000 ? ?
Cu13 .36245(2) -.09383(2) -.21507(4) .0249(3) Uani ? ? 1.00000 ? ?
Au2 .870931(9) .909836(8) 1.126492(13) .03744(12) Uani ? ? 1.00000 ? ?
I2 .866682(12) .860279(13) .63576(2) .03116(18) Uani ? ? 1.00000 ? ?
Cu21 .81947(2) .83092(2) .73803(4) .0263(3) Uani ? ? 1.00000 ? ?
Cu22 .91267(2) .82955(2) .77697(4) .0286(3) Uani ? ? 1.00000 ? ?
Cu23 .86860(2) .91874(2) .76275(4) .0281(3) Uani ? ? 1.00000 ? ?
C111 .36612(16) -.15180(17) -.1336(3) .023(2) Uani ? ? 1.00000 ? ?
C112 .37072(15) -.14008(17) -.0713(3) .022(2) Uani ? ? 1.00000 ? ?
C113 .37553(19) -.1232(2) -.0010(3) .034(3) Uani ? ? 1.00000 ? ?
C114 .3780(2) -.1057(2) .0603(3) .037(3) Uani ? ? 1.00000 ? ?
C121 .38164(19) -.04557(19) .2512(3) .031(3) Uani ? ? 1.00000 ? ?
C122 .37993(19) -.0264(2) .3090(3) .032(3) Uani ? ? 1.00000 ? ?
C123 .3780(2) -.0035(2) .3713(3) .034(3) Uani ? ? 1.00000 ? ?
C124 .3763(2) .0185(2) .4265(4) .053(4) Uani ? ? 1.00000 ? ?
P11 .30805(4) -.26894(4) -.23230(7) .0229(6) Uani ? ? 1.00000 ? ?
C1111 .30298(17) -.30628(18) -.1547(3) .027(3) Uani ? ? 1.00000 ? ?
C1112 .28582(19) -.2823(2) -.1026(3) .033(3) Uani ? ? 1.00000 ? ?
C1113 .2796(2) -.3093(2) -.0434(3) .045(4) Uani ? ? 1.00000 ? ?
C1114 .2897(2) -.3609(2) -.0371(3) .046(4) Uani ? ? 1.00000 ? ?
C1115 .3063(2) -.3846(2) -.0877(3) .043(3) Uani ? ? 1.00000 ? ?
C1116 .31341(18) -.3583(2) -.1468(3) .032(3) Uani ? ? 1.00000 ? ?
C1121 .26031(17) -.28999(17) -.3053(3) .024(2) Uani ? ? 1.00000 ? ?
C1122 .2496(2) -.2630(2) -.3704(3) .038(3) Uani ? ? 1.00000 ? ?
C1123 .2132(2) -.2763(2) -.4259(3) .045(3) Uani ? ? 1.00000 ? ?
C1124 .1860(2) -.3170(2) -.4182(3) .041(3) Uani ? ? 1.00000 ? ?
C1125 .1962(2) -.3434(2) -.3554(4) .044(3) Uani ? ? 1.00000 ? ?
C1126 .2324(2) -.3304(2) -.2981(3) .039(3) Uani ? ? 1.00000 ? ?
C11 .35636(17) -.29597(17) -.2595(3) .025(3) Uani ? ? 1.00000 ? ?
P12 .40874(4) -.26966(5) -.20216(7) .0229(6) Uani ? ? 1.00000 ? ?
C1211 .41689(17) -.30426(18) -.1168(3) .025(3) Uani ? ? 1.00000 ? ?
C1212 .42957(19) -.3557(2) -.1110(3) .034(3) Uani ? ? 1.00000 ? ?
C1213 .4321(2) -.3818(2) -.0473(3) .041(3) Uani ? ? 1.00000 ? ?
C1214 .4219(2) -.3576(2) .0109(3) .043(3) Uani ? ? 1.00000 ? ?
C1215 .4094(2) -.3068(2) .0061(3) .039(3) Uani ? ? 1.00000 ? ?
C1216 .40752(18) -.28035(19) -.0576(3) .031(3) Uani ? ? 1.00000 ? ?
C1221 .45243(18) -.29556(18) -.2411(3) .029(3) Uani ? ? 1.00000 ? ?
C1222 .4437(2) -.3107(2) -.3134(3) .037(3) Uani ? ? 1.00000 ? ?
C1223 .4793(2) -.3273(2) -.3407(4) .045(4) Uani ? ? 1.00000 ? ?
C1224 .5222(2) -.3288(2) -.2973(4) .049(4) Uani ? ? 1.00000 ? ?
C1225 .5310(2) -.3129(2) -.2253(4) .045(3) Uani ? ? 1.00000 ? ?
C1226 .49659(19) -.2966(2) -.1969(3) .036(3) Uani ? ? 1.00000 ? ?
P13 .47332(5) -.14553(5) -.17171(8) .0270(7) Uani ? ? 1.00000 ? ?
C1311 .50196(18) -.1348(2) -.2427(3) .032(3) Uani ? ? 1.00000 ? ?
C1312 .4938(2) -.1682(2) -.3009(3) .038(3) Uani ? ? 1.00000 ? ?
C1313 .5156(2) -.1627(3) -.3553(4) .052(4) Uani ? ? 1.00000 ? ?
C1314 .5451(2) -.1224(3) -.3521(4) .055(4) Uani ? ? 1.00000 ? ?
C1315 .5531(2) -.0891(2) -.2956(4) .051(4) Uani ? ? 1.00000 ? ?
C1316 .53265(19) -.0949(2) -.2403(3) .037(3) Uani ? ? 1.00000 ? ?
C1321 .51489(18) -.17870(18) -.1001(3) .031(3) Uani ? ? 1.00000 ? ?
C1322 .5018(2) -.1937(2) -.0385(3) .039(3) Uani ? ? 1.00000 ? ?
C1323 .5310(2) -.2187(2) .0178(4) .050(4) Uani ? ? 1.00000 ? ?
C1324 .5739(2) -.2294(2) .0123(4) .052(4) Uani ? ? 1.00000 ? ?
C1325 .5873(2) -.2149(2) -.0478(4) .049(4) Uani ? ? 1.00000 ? ?
C1326 .55784(19) -.1898(2) -.1046(3) .039(3) Uani ? ? 1.00000 ? ?
C13 .47173(17) -.08365(18) -.1271(3) .028(3) Uani ? ? 1.00000 ? ?
P14 .42493(5) -.04511(5) -.17860(8) .0281(7) Uani ? ? 1.00000 ? ?
C1411 .44691(18) -.01295(19) -.2463(3) .032(3) Uani ? ? 1.00000 ? ?
C1412 .4822(2) .0224(2) -.2276(4) .041(3) Uani ? ? 1.00000 ? ?
C1413 .4983(2) .0445(2) -.2818(4) .054(4) Uani ? ? 1.00000 ? ?
C1414 .4803(3) .0319(3) -.3532(5) .070(5) Uani ? ? 1.00000 ? ?
C1415 .4451(3) -.0027(3) -.3732(4) .064(5) Uani ? ? 1.00000 ? ?
C1416 .4282(2) -.0248(2) -.3194(4) .047(4) Uani ? ? 1.00000 ? ?
C1421 .42174(18) .00450(19) -.1121(3) .034(3) Uani ? ? 1.00000 ? ?
C1422 .4261(2) -.0074(2) -.0401(3) .042(3) Uani ? ? 1.00000 ? ?
C1423 .4196(2) .0287(3) .0093(4) .056(4) Uani ? ? 1.00000 ? ?
C1424 .4097(2) .0777(3) -.0138(5) .065(4) Uani ? ? 1.00000 ? ?
C1425 .4049(2) .0900(2) -.0854(5) .067(5) Uani ? ? 1.00000 ? ?
C1426 .4108(2) .0543(2) -.1353(4) .052(4) Uani ? ? 1.00000 ? ?
P15 .30046(5) -.04558(5) -.25247(8) .0243(6) Uani ? ? 1.00000 ? ?
C1511 .28736(18) -.00794(18) -.1804(3) .027(3) Uani ? ? 1.00000 ? ?
C1512 .31194(18) -.01807(19) -.1096(3) .030(3) Uani ? ? 1.00000 ? ?
C1513 .3040(2) .0087(2) -.0516(3) .041(3) Uani ? ? 1.00000 ? ?
C1514 .2713(2) .0459(2) -.0645(3) .039(3) Uani ? ? 1.00000 ? ?
C1515 .2467(2) .0562(2) -.1343(4) .045(3) Uani ? ? 1.00000 ? ?
C1516 .2542(2) .0292(2) -.1931(3) .037(3) Uani ? ? 1.00000 ? ?
C1521 .30180(17) -.00133(18) -.3259(3) .028(3) Uani ? ? 1.00000 ? ?
C1522 .2981(2) -.0202(2) -.3946(3) .041(3) Uani ? ? 1.00000 ? ?
C1523 .3010(2) .0107(2) -.4521(3) .044(3) Uani ? ? 1.00000 ? ?
C1524 .3085(2) .0619(2) -.4400(4) .049(4) Uani ? ? 1.00000 ? ?
C1525 .3137(3) .0814(2) -.3715(4) .052(4) Uani ? ? 1.00000 ? ?
C1526 .3108(2) .0501(2) -.3137(3) .041(3) Uani ? ? 1.00000 ? ?
C15 .24944(17) -.08165(18) -.2936(3) .028(3) Uani ? ? 1.00000 ? ?
P16 .24775(5) -.13937(5) -.24058(8) .0253(7) Uani ? ? 1.00000 ? ?
C1611 .22931(18) -.11701(18) -.1623(3) .028(3) Uani ? ? 1.00000 ? ?
C1612 .1912(2) -.0870(2) -.1723(3) .040(3) Uani ? ? 1.00000 ? ?
C1613 .1761(2) -.0720(2) -.1131(4) .043(3) Uani ? ? 1.00000 ? ?
C1614 .1986(2) -.0885(2) -.0442(4) .045(3) Uani ? ? 1.00000 ? ?
C1615 .2364(2) -.1185(2) -.0339(3) .040(3) Uani ? ? 1.00000 ? ?
C1616 .25193(18) -.13197(19) -.0935(3) .031(3) Uani ? ? 1.00000 ? ?
C1621 .19573(18) -.17019(18) -.2907(3) .030(3) Uani ? ? 1.00000 ? ?
C1622 .1684(2) -.1526(2) -.3546(4) .050(4) Uani ? ? 1.00000 ? ?
C1623 .1268(2) -.1760(3) -.3859(4) .062(4) Uani ? ? 1.00000 ? ?
C1624 .1140(2) -.2162(2) -.3512(4) .060(4) Uani ? ? 1.00000 ? ?
C1625 .1407(2) -.2349(2) -.2892(4) .061(4) Uani ? ? 1.00000 ? ?
C1626 .1818(2) -.2121(2) -.2585(4) .044(3) Uani ? ? 1.00000 ? ?
C211 .86610(18) .85676(18) .8320(3) .029(3) Uani ? ? 1.00000 ? ?
C212 .86810(17) .85969(17) .8949(3) .026(3) Uani ? ? 1.00000 ? ?
C213 .8695(2) .8679(2) .9683(3) .036(3) Uani ? ? 1.00000 ? ?
C214 .8709(2) .8805(2) 1.0309(3) .038(3) Uani ? ? 1.00000 ? ?
C221 .8682(2) .9418(2) 1.2189(3) .039(3) Uani ? ? 1.00000 ? ?
C222 .8631(2) .9603(2) 1.2753(3) .040(3) Uani ? ? 1.00000 ? ?
C223 .8583(2) .9814(2) 1.3392(3) .043(3) Uani ? ? 1.00000 ? ?
C224 .8544(3) .9986(3) 1.3947(4) .064(5) Uani ? ? 1.00000 ? ?
P21 .81549(5) .74475(5) .72764(8) .0257(7) Uani ? ? 1.00000 ? ?
C2111 .80859(17) .71042(18) .8071(3) .026(3) Uani ? ? 1.00000 ? ?
C2112 .8072(2) .7372(2) .8698(3) .038(3) Uani ? ? 1.00000 ? ?
C2113 .8016(2) .7113(2) .9298(4) .051(4) Uani ? ? 1.00000 ? ?
C2114 .7962(2) .6587(2) .9281(3) .042(3) Uani ? ? 1.00000 ? ?
C2115 .7975(2) .6327(2) .8669(4) .041(3) Uani ? ? 1.00000 ? ?
C2116 .8037(2) .6575(2) .8061(3) .035(3) Uani ? ? 1.00000 ? ?
C2121 .77154(18) .71625(18) .6556(3) .030(3) Uani ? ? 1.00000 ? ?
C2122 .72802(19) .7144(2) .6644(3) .037(3) Uani ? ? 1.00000 ? ?
C2123 .6929(2) .6938(2) .6105(4) .044(3) Uani ? ? 1.00000 ? ?
C2124 .7012(2) .6742(2) .5486(4) .045(3) Uani ? ? 1.00000 ? ?
C2125 .7438(2) .6758(2) .5387(3) .042(3) Uani ? ? 1.00000 ? ?
C2126 .7786(2) .6968(2) .5912(3) .035(3) Uani ? ? 1.00000 ? ?
C21 .86612(18) .71824(17) .7085(3) .027(3) Uani ? ? 1.00000 ? ?
P22 .91693(5) .74378(5) .77000(8) .0259(7) Uani ? ? 1.00000 ? ?
C2211 .92213(17) .70730(19) .8535(3) .028(3) Uani ? ? 1.00000 ? ?
C2212 .9245(2) .6542(2) .8526(3) .038(3) Uani ? ? 1.00000 ? ?
C2213 .9257(2) .6267(2) .9145(4) .047(4) Uani ? ? 1.00000 ? ?
C2214 .9240(2) .6511(3) .9771(4) .054(4) Uani ? ? 1.00000 ? ?
C2215 .9217(3) .7036(3) .9794(4) .059(4) Uani ? ? 1.00000 ? ?
C2216 .9202(2) .7317(2) .9171(3) .043(3) Uani ? ? 1.00000 ? ?
C2221 .96160(18) .71719(18) .7335(3) .029(3) Uani ? ? 1.00000 ? ?
C2222 .9547(2) .7026(2) .6608(3) .040(3) Uani ? ? 1.00000 ? ?
C2223 .9894(2) .6845(2) .6351(4) .046(4) Uani ? ? 1.00000 ? ?
C2224 1.0325(2) .6833(2) .6822(4) .051(4) Uani ? ? 1.00000 ? ?
C2225 1.0400(2) .6975(2) .7548(4) .048(4) Uani ? ? 1.00000 ? ?
C2226 1.0048(2) .7141(2) .7796(3) .038(3) Uani ? ? 1.00000 ? ?
P23 .98065(5) .86911(5) .80747(9) .0351(8) Uani ? ? 1.00000 ? ?
C2311 1.0059(2) .8887(2) .7367(4) .044(3) Uani ? ? 1.00000 ? ?
C2312 .9970(2) .8607(3) .6728(4) .054(4) Uani ? ? 1.00000 ? ?
C2313 1.0168(3) .8729(3) .6176(5) .075(5) Uani ? ? 1.00000 ? ?
C2314 1.0450(3) .9148(3) .6262(6) .090(6) Uani ? ? 1.00000 ? ?
C2315 1.0548(3) .9428(3) .6888(6) .097(6) Uani ? ? 1.00000 ? ?
C2316 1.0357(2) .9294(2) .7439(5) .067(5) Uani ? ? 1.00000 ? ?
C2321 1.02530(19) .8322(2) .8686(3) .041(3) Uani ? ? 1.00000 ? ?
C2322 1.0160(2) .8095(2) .9288(4) .046(3) Uani ? ? 1.00000 ? ?
C2323 1.0464(2) .7775(3) .9736(4) .062(4) Uani ? ? 1.00000 ? ?
C2324 1.0877(2) .7686(3) .9595(4) .065(4) Uani ? ? 1.00000 ? ?
C2325 1.0977(2) .7909(3) .9016(4) .063(4) Uani ? ? 1.00000 ? ?
C2326 1.0666(2) .8230(2) .8542(4) .052(4) Uani ? ? 1.00000 ? ?
C23 .97809(19) .9263(2) .8620(4) .040(3) Uani ? ? 1.00000 ? ?
P24 .93019(5) .96603(5) .81475(9) .0324(7) Uani ? ? 1.00000 ? ?
C2411 .95257(19) 1.0068(2) .7554(3) .037(3) Uani ? ? 1.00000 ? ?
C2412 .9893(2) 1.0395(2) .7824(4) .045(4) Uani ? ? 1.00000 ? ?
C2413 1.0049(2) 1.0695(2) .7347(4) .057(4) Uani ? ? 1.00000 ? ?
C2414 .9849(3) 1.0667(3) .6612(5) .066(5) Uani ? ? 1.00000 ? ?
C2415 .9491(2) 1.0338(3) .6327(4) .062(5) Uani ? ? 1.00000 ? ?
C2416 .9334(2) 1.0042(2) .6818(4) .047(4) Uani ? ? 1.00000 ? ?
C2421 .92359(18) 1.00827(19) .8887(3) .033(3) Uani ? ? 1.00000 ? ?
C2422 .9180(2) .9869(2) .9525(4) .040(3) Uani ? ? 1.00000 ? ?
C2423 .9104(2) 1.0167(2) 1.0082(3) .042(3) Uani ? ? 1.00000 ? ?
C2424 .9087(2) 1.0688(2) .9999(4) .044(3) Uani ? ? 1.00000 ? ?
C2425 .9136(2) 1.0907(2) .9370(4) .043(3) Uani ? ? 1.00000 ? ?
C2426 .9211(2) 1.0607(2) .8812(3) .038(3) Uani ? ? 1.00000 ? ?
P25 .80811(5) .96892(5) .72045(8) .0266(7) Uani ? ? 1.00000 ? ?
C2511 .78495(18) .99512(18) .7906(3) .028(3) Uani ? ? 1.00000 ? ?
C2512 .7987(2) .9743(2) .8604(3) .038(3) Uani ? ? 1.00000 ? ?
C2513 .7790(2) .9887(2) .9139(4) .047(4) Uani ? ? 1.00000 ? ?
C2514 .7451(2) 1.0251(2) .8989(4) .047(4) Uani ? ? 1.00000 ? ?
C2515 .7326(2) 1.0474(2) .8314(4) .042(3) Uani ? ? 1.00000 ? ?
C2516 .75169(18) 1.0327(2) .7771(3) .034(3) Uani ? ? 1.00000 ? ?
C2521 .81473(18) 1.0244(2) .6657(3) .034(3) Uani ? ? 1.00000 ? ?
C2522 .8062(2) 1.0227(2) .5902(4) .043(3) Uani ? ? 1.00000 ? ?
C2523 .8141(2) 1.0650(2) .5517(4) .057(4) Uani ? ? 1.00000 ? ?
C2524 .8313(2) 1.1087(2) .5884(4) .061(4) Uani ? ? 1.00000 ? ?
C2525 .8404(3) 1.1111(2) .6623(4) .061(4) Uani ? ? 1.00000 ? ?
C2526 .8322(2) 1.0693(2) .7019(4) .049(4) Uani ? ? 1.00000 ? ?
C25 .75998(18) .93584(18) .6617(3) .028(3) Uani ? ? 1.00000 ? ?
P26 .75251(5) .87193(5) .69614(8) .0257(7) Uani ? ? 1.00000 ? ?
C2621 .71235(18) .84763(18) .6143(3) .028(3) Uani ? ? 1.00000 ? ?
C2622 .72890(19) .82309(19) .5613(3) .032(3) Uani ? ? 1.00000 ? ?
C2623 .7006(2) .8084(2) .4954(3) .035(3) Uani ? ? 1.00000 ? ?
C2624 .6552(2) .8179(2) .4814(3) .040(3) Uani ? ? 1.00000 ? ?
C2625 .6382(2) .8413(2) .5334(3) .041(3) Uani ? ? 1.00000 ? ?
C2626 .66624(19) .8553(2) .5997(3) .037(3) Uani ? ? 1.00000 ? ?
C2611 .71811(17) .87809(19) .7605(3) .026(3) Uani ? ? 1.00000 ? ?
C2612 .69306(18) .9210(2) .7677(3) .033(3) Uani ? ? 1.00000 ? ?
C2613 .6672(2) .9213(2) .8172(3) .039(3) Uani ? ? 1.00000 ? ?
C2614 .6642(2) .8782(2) .8569(4) .046(4) Uani ? ? 1.00000 ? ?
C2615 .6885(2) .8355(2) .8500(3) .043(3) Uani ? ? 1.00000 ? ?
C2616 .7156(2) .8357(2) .8033(3) .037(3) Uani ? ? 1.00000 ? ?
H124 .37535 .03594 .47022 .07800 Uiso ? ? 1.00000 ? ?
H1112 .27801 -.24700 -.10807 .04100 Uiso ? ? 1.00000 ? ?
H1113 .26786 -.29238 -.00750 .05800 Uiso ? ? 1.00000 ? ?
H1114 .28481 -.38005 .00393 .05800 Uiso ? ? 1.00000 ? ?
H1115 .31352 -.42047 -.08287 .05000 Uiso ? ? 1.00000 ? ?
H1116 .32535 -.37554 -.18242 .04000 Uiso ? ? 1.00000 ? ?
H1122 .26898 -.23539 -.37613 .04800 Uiso ? ? 1.00000 ? ?
H1123 .20568 -.25632 -.47041 .05500 Uiso ? ? 1.00000 ? ?
H1124 .16093 -.32644 -.45778 .05200 Uiso ? ? 1.00000 ? ?
H1125 .17721 -.37181 -.35035 .05500 Uiso ? ? 1.00000 ? ?
H1126 .23833 -.34858 -.25276 .04800 Uiso ? ? 1.00000 ? ?
H11a .35368 -.28805 -.30950 .03300 Uiso ? ? 1.00000 ? ?
H11b .35617 -.33216 -.25447 .03300 Uiso ? ? 1.00000 ? ?
H1212 .43681 -.37216 -.15170 .04400 Uiso ? ? 1.00000 ? ?
H1213 .44132 -.41725 -.04328 .05300 Uiso ? ? 1.00000 ? ?
H1214 .42264 -.37601 .05518 .05200 Uiso ? ? 1.00000 ? ?
H1215 .40343 -.28975 .04727 .04900 Uiso ? ? 1.00000 ? ?
H1216 .39913 -.24529 -.06162 .03900 Uiso ? ? 1.00000 ? ?
H1222 .41373 -.30950 -.34441 .04800 Uiso ? ? 1.00000 ? ?
H1223 .47379 -.33729 -.39104 .05800 Uiso ? ? 1.00000 ? ?
H1224 .54640 -.34145 -.31574 .05800 Uiso ? ? 1.00000 ? ?
H1225 .56140 -.31369 -.19537 .05700 Uiso ? ? 1.00000 ? ?
H1226 .50325 -.28557 -.14651 .04500 Uiso ? ? 1.00000 ? ?
H1312 .47258 -.19547 -.30290 .04600 Uiso ? ? 1.00000 ? ?
H1313 .51015 -.18613 -.39525 .06500 Uiso ? ? 1.00000 ? ?
H1314 .55982 -.11744 -.39043 .06600 Uiso ? ? 1.00000 ? ?
H1315 .57363 -.06112 -.29490 .06300 Uiso ? ? 1.00000 ? ?
H1316 .53895 -.07174 -.19945 .04800 Uiso ? ? 1.00000 ? ?
H1322 .47162 -.18601 -.03520 .05100 Uiso ? ? 1.00000 ? ?
H1323 .52230 -.22882 .06083 .06600 Uiso ? ? 1.00000 ? ?
H1324 .59492 -.24678 .05123 .06800 Uiso ? ? 1.00000 ? ?
H1325 .61765 -.22220 -.05079 .06000 Uiso ? ? 1.00000 ? ?
H1326 .56706 -.18025 -.14868 .05200 Uiso ? ? 1.00000 ? ?
H13a .49954 -.06606 -.12355 .03600 Uiso ? ? 1.00000 ? ?
H13b .46886 -.08902 -.07881 .03600 Uiso ? ? 1.00000 ? ?
H1412 .49494 .03127 -.17700 .05400 Uiso ? ? 1.00000 ? ?
H1413 .52187 .06915 -.26899 .06400 Uiso ? ? 1.00000 ? ?
H1414 .49212 .04760 -.39117 .08700 Uiso ? ? 1.00000 ? ?
H1415 .43348 -.01190 -.42389 .07900 Uiso ? ? 1.00000 ? ?
H1416 .40304 -.04799 -.33306 .05900 Uiso ? ? 1.00000 ? ?
H1422 .43376 -.04183 -.02376 .05500 Uiso ? ? 1.00000 ? ?
H1423 .42213 .01926 .06028 .07200 Uiso ? ? 1.00000 ? ?
H1424 .40576 .10368 .01960 .08100 Uiso ? ? 1.00000 ? ?
H1425 .39803 .12483 -.09999 .08400 Uiso ? ? 1.00000 ? ?
H1426 .40707 .06359 -.18667 .06800 Uiso ? ? 1.00000 ? ?
H1512 .33492 -.04380 -.10052 .03800 Uiso ? ? 1.00000 ? ?
H1513 .32112 .00125 -.00283 .05200 Uiso ? ? 1.00000 ? ?
H1514 .26591 .06459 -.02374 .04900 Uiso ? ? 1.00000 ? ?
H1515 .22411 .08231 -.14346 .05400 Uiso ? ? 1.00000 ? ?
H1516 .23695 .03658 -.24223 .04600 Uiso ? ? 1.00000 ? ?
H1522 .29382 -.05612 -.40184 .05200 Uiso ? ? 1.00000 ? ?
H1523 .29789 -.00373 -.50038 .05600 Uiso ? ? 1.00000 ? ?
H1524 .30872 .08466 -.48006 .06100 Uiso ? ? 1.00000 ? ?
H1525 .32065 .11676 -.36226 .06300 Uiso ? ? 1.00000 ? ?
H1526 .31423 .06410 -.26538 .05200 Uiso ? ? 1.00000 ? ?
H15a .24905 -.09044 -.34284 .03500 Uiso ? ? 1.00000 ? ?
H15b .22359 -.06102 -.29528 .03500 Uiso ? ? 1.00000 ? ?
H1612 .17508 -.07624 -.22141 .04900 Uiso ? ? 1.00000 ? ?
H1613 .14981 -.05113 -.11886 .05500 Uiso ? ? 1.00000 ? ?
H1614 .18789 -.07946 -.00292 .05800 Uiso ? ? 1.00000 ? ?
H1615 .25227 -.12936 .01458 .05200 Uiso ? ? 1.00000 ? ?
H1616 .27911 -.15172 -.08642 .03900 Uiso ? ? 1.00000 ? ?
H1622 .17800 -.12331 -.37816 .06000 Uiso ? ? 1.00000 ? ?
H1623 .10761 -.16357 -.43162 .07700 Uiso ? ? 1.00000 ? ?
H1624 .08470 -.23193 -.37103 .08000 Uiso ? ? 1.00000 ? ?
H1625 .13143 -.26385 -.26421 .07600 Uiso ? ? 1.00000 ? ?
H1626 .20142 -.22587 -.21431 .05800 Uiso ? ? 1.00000 ? ?
H224 .85132 1.01290 1.43996 .09600 Uiso ? ? 1.00000 ? ?
H2112 .80996 .77327 .87012 .04900 Uiso ? ? 1.00000 ? ?
H2113 .80113 .72948 .97401 .06300 Uiso ? ? 1.00000 ? ?
H2114 .79124 .64074 .96944 .05200 Uiso ? ? 1.00000 ? ?
H2115 .79435 .59634 .86514 .05100 Uiso ? ? 1.00000 ? ?
H2116 .80489 .63882 .76317 .04400 Uiso ? ? 1.00000 ? ?
H2122 .72238 .72766 .70818 .04800 Uiso ? ? 1.00000 ? ?
H2123 .66280 .69296 .61744 .05500 Uiso ? ? 1.00000 ? ?
H2124 .67684 .65999 .51082 .05600 Uiso ? ? 1.00000 ? ?
H2125 .74893 .66225 .49384 .05500 Uiso ? ? 1.00000 ? ?
H2126 .80842 .69821 .58353 .04600 Uiso ? ? 1.00000 ? ?
H21a .86554 .68199 .71308 .03300 Uiso ? ? 1.00000 ? ?
H21b .86571 .72608 .65899 .03300 Uiso ? ? 1.00000 ? ?
H2212 .92557 .63697 .80766 .04700 Uiso ? ? 1.00000 ? ?
H2213 .92752 .59010 .91319 .05800 Uiso ? ? 1.00000 ? ?
H2214 .92483 .63126 1.02044 .06600 Uiso ? ? 1.00000 ? ?
H2215 .92136 .72074 1.02368 .07000 Uiso ? ? 1.00000 ? ?
H2216 .91727 .76806 .91789 .05500 Uiso ? ? 1.00000 ? ?
H2222 .92484 .70486 .62851 .05100 Uiso ? ? 1.00000 ? ?
H2223 .98514 .67339 .58573 .05700 Uiso ? ? 1.00000 ? ?
H2224 1.05750 .67236 .66467 .06500 Uiso ? ? 1.00000 ? ?
H2225 1.06972 .69534 .78722 .06100 Uiso ? ? 1.00000 ? ?
H2226 1.00953 .72363 .83043 .05000 Uiso ? ? 1.00000 ? ?
H2312 .97684 .83200 .66732 .06700 Uiso ? ? 1.00000 ? ?
H2313 1.01197 .85133 .57515 .09400 Uiso ? ? 1.00000 ? ?
H2314 1.05693 .92514 .58617 .11500 Uiso ? ? 1.00000 ? ?
H2315 1.07563 .97123 .69459 .11400 Uiso ? ? 1.00000 ? ?
H2316 1.04356 .94834 .79089 .08400 Uiso ? ? 1.00000 ? ?
H2322 .98710 .81627 .93864 .06000 Uiso ? ? 1.00000 ? ?
H2323 1.03969 .76168 1.01541 .08300 Uiso ? ? 1.00000 ? ?
H2324 1.10911 .74655 .99095 .08100 Uiso ? ? 1.00000 ? ?
H2325 1.12650 .78515 .89117 .08200 Uiso ? ? 1.00000 ? ?
H2326 1.07390 .83869 .81215 .06900 Uiso ? ? 1.00000 ? ?
H23a .97431 .91613 .90888 .05400 Uiso ? ? 1.00000 ? ?
H23b 1.00531 .94484 .86987 .05400 Uiso ? ? 1.00000 ? ?
H2412 1.00278 1.04108 .83410 .05800 Uiso ? ? 1.00000 ? ?
H2413 1.02977 1.09205 .75321 .06900 Uiso ? ? 1.00000 ? ?
H2414 .99578 1.08807 .62776 .08200 Uiso ? ? 1.00000 ? ?
H2415 .93516 1.03194 .58062 .07800 Uiso ? ? 1.00000 ? ?
H2416 .90811 .98180 .66297 .06000 Uiso ? ? 1.00000 ? ?
H2422 .91919 .95037 .95804 .05300 Uiso ? ? 1.00000 ? ?
H2423 .90675 1.00127 1.05240 .05200 Uiso ? ? 1.00000 ? ?
H2424 .90468 1.08987 1.03887 .05400 Uiso ? ? 1.00000 ? ?
H2425 .91195 1.12721 .93162 .05300 Uiso ? ? 1.00000 ? ?
H2426 .92431 1.07667 .83678 .04700 Uiso ? ? 1.00000 ? ?
H2512 .82201 .94940 .87051 .04700 Uiso ? ? 1.00000 ? ?
H2513 .78969 .97466 .96277 .06200 Uiso ? ? 1.00000 ? ?
H2514 .72997 1.03440 .93593 .06000 Uiso ? ? 1.00000 ? ?
H2515 .71020 1.07329 .82258 .05500 Uiso ? ? 1.00000 ? ?
H2516 .74229 1.04862 .72941 .04600 Uiso ? ? 1.00000 ? ?
H2522 .79454 .99164 .56450 .05800 Uiso ? ? 1.00000 ? ?
H2523 .80758 1.06400 .49934 .07100 Uiso ? ? 1.00000 ? ?
H2524 .83733 1.13821 .56200 .07600 Uiso ? ? 1.00000 ? ?
H2525 .85269 1.14209 .68737 .07600 Uiso ? ? 1.00000 ? ?
H2526 .83850 1.07121 .75530 .06100 Uiso ? ? 1.00000 ? ?
H25a .73304 .95536 .65778 .03700 Uiso ? ? 1.00000 ? ?
H25b .76399 .93287 .61316 .03700 Uiso ? ? 1.00000 ? ?
H2622 .76070 .81609 .57187 .04000 Uiso ? ? 1.00000 ? ?
H2623 .71284 .79222 .45887 .04500 Uiso ? ? 1.00000 ? ?
H2624 .63520 .80878 .43475 .05000 Uiso ? ? 1.00000 ? ?
H2625 .60611 .84714 .52410 .05100 Uiso ? ? 1.00000 ? ?
H2626 .65356 .87069 .63676 .04700 Uiso ? ? 1.00000 ? ?
H2612 .69401 .95063 .73835 .04200 Uiso ? ? 1.00000 ? ?
H2613 .65072 .95155 .82359 .05000 Uiso ? ? 1.00000 ? ?
H2614 .64556 .87898 .89016 .05800 Uiso ? ? 1.00000 ? ?
H2615 .68523 .80504 .87687 .05500 Uiso ? ? 1.00000 ? ?
H2616 .73313 .80598 .79930 .04600 Uiso ? ? 1.00000 ? ?
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 ? 0 664 .002 .002 'Int Tables Vol IV Tables 2.2B and 2.3.1'
H ? 0 536 0 0 'Int Tables Vol IV Tables 2.2B and 2.3.1'
Au ? 0 8 -2.688 8.798 'Int Tables Vol IV Tables 2.2B and 2.3.1'
Cu ? 0 24 .263 1.266 'Int Tables Vol IV Tables 2.2B and 2.3.1'
I ? 0 8 -.726 1.812 'Int Tables Vol IV Tables 2.2B and 2.3.1'
P ? 0 48 .09 .095 'Int Tables 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_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C114 Au1 C121 . . . 178.3(2) ?
Cu11 I1 Cu12 . . . 57.19(2) ?
Cu11 I1 Cu13 . . . 58.10(2) ?
Cu12 I1 Cu13 . . . 57.510(18) ?
I1 Cu11 Cu12 . . . 59.09(2) ?
I1 Cu11 Cu13 . . . 59.04(2) ?
I1 Cu11 C111 . . . 96.05(16) ?
I1 Cu11 P11 . . . 98.92(5) ?
I1 Cu11 P16 . . . 105.38(4) ?
Cu12 Cu11 Cu13 . . . 58.47(2) ?
Cu12 Cu11 C111 . . . 49.11(15) ?
Cu12 Cu11 P11 . . . 93.24(4) ?
Cu12 Cu11 P16 . . . 150.06(4) ?
Cu13 Cu11 C111 . . . 50.27(14) ?
Cu13 Cu11 P11 . . . 149.82(5) ?
Cu13 Cu11 P16 . . . 91.69(4) ?
C111 Cu11 P11 . . . 120.53(13) ?
C111 Cu11 P16 . . . 115.13(14) ?
P11 Cu11 P16 . . . 115.41(5) ?
I1 Cu12 Cu11 . . . 63.72(2) ?
I1 Cu12 Cu13 . . . 61.61(2) ?
I1 Cu12 C111 . . . 100.20(13) ?
I1 Cu12 P12 . . . 102.83(4) ?
I1 Cu12 P13 . . . 111.02(5) ?
Cu11 Cu12 Cu13 . . . 61.67(2) ?
Cu11 Cu12 C111 . . . 49.52(12) ?
Cu11 Cu12 P12 . . . 93.85(4) ?
Cu11 Cu12 P13 . . . 152.66(4) ?
Cu13 Cu12 C111 . . . 51.93(13) ?
Cu13 Cu12 P12 . . . 154.57(4) ?
Cu13 Cu12 P13 . . . 91.77(4) ?
C111 Cu12 P12 . . . 118.37(14) ?
C111 Cu12 P13 . . . 109.98(13) ?
P12 Cu12 P13 . . . 113.24(5) ?
I1 Cu13 Cu11 . . . 62.85(2) ?
I1 Cu13 Cu12 . . . 60.88(2) ?
I1 Cu13 C111 . . . 97.74(13) ?
I1 Cu13 P14 . . . 119.09(5) ?
I1 Cu13 P15 . . . 100.88(4) ?
Cu11 Cu13 Cu12 . . . 59.86(2) ?
Cu11 Cu13 C111 . . . 48.36(12) ?
Cu11 Cu13 P14 . . . 153.08(4) ?
Cu11 Cu13 P15 . . . 93.68(4) ?
Cu12 Cu13 C111 . . . 49.49(14) ?
Cu12 Cu13 P14 . . . 96.42(4) ?
Cu12 Cu13 P15 . . . 152.14(4) ?
C111 Cu13 P14 . . . 107.39(12) ?
C111 Cu13 P15 . . . 120.44(15) ?
P14 Cu13 P15 . . . 111.25(5) ?
C214 Au2 C221 . . . 176.7(2) ?
Cu21 I2 Cu22 . . . 59.03(2) ?
Cu21 I2 Cu23 . . . 57.61(2) ?
Cu22 I2 Cu23 . . . 56.73(2) ?
I2 Cu21 Cu22 . . . 60.19(2) ?
I2 Cu21 Cu23 . . . 61.66(2) ?
I2 Cu21 C211 . . . 97.84(17) ?
I2 Cu21 P21 . . . 103.78(5) ?
I2 Cu21 P26 . . . 102.30(5) ?
Cu22 Cu21 Cu23 . . . 58.41(2) ?
Cu22 Cu21 C211 . . . 48.98(17) ?
Cu22 Cu21 P21 . . . 92.23(4) ?
Cu22 Cu21 P26 . . . 151.60(5) ?
Cu23 Cu21 C211 . . . 49.67(14) ?
Cu23 Cu21 P21 . . . 150.57(5) ?
Cu23 Cu21 P26 . . . 94.10(4) ?
C211 Cu21 P21 . . . 114.01(14) ?
C211 Cu21 P26 . . . 120.14(15) ?
P21 Cu21 P26 . . . 114.65(5) ?
I2 Cu22 Cu21 . . . 60.79(2) ?
I2 Cu22 Cu23 . . . 62.43(2) ?
I2 Cu22 C211 . . . 97.91(14) ?
I2 Cu22 P22 . . . 104.66(4) ?
I2 Cu22 P23 . . . 108.29(5) ?
Cu21 Cu22 Cu23 . . . 60.04(2) ?
Cu21 Cu22 C211 . . . 48.42(13) ?
Cu21 Cu22 P22 . . . 93.97(4) ?
Cu21 Cu22 P23 . . . 152.05(5) ?
Cu23 Cu22 C211 . . . 50.41(14) ?
Cu23 Cu22 P22 . . . 153.92(5) ?
Cu23 Cu22 P23 . . . 92.01(4) ?
C211 Cu22 P22 . . . 115.07(14) ?
C211 Cu22 P23 . . . 114.82(14) ?
P22 Cu22 P23 . . . 113.97(6) ?
I2 Cu23 Cu21 . . . 60.73(2) ?
I2 Cu23 Cu22 . . . 60.84(2) ?
I2 Cu23 C211 . . . 96.69(15) ?
I2 Cu23 P24 . . . 119.62(6) ?
I2 Cu23 P25 . . . 100.44(4) ?
Cu21 Cu23 Cu22 . . . 61.55(2) ?
Cu21 Cu23 C211 . . . 49.15(13) ?
Cu21 Cu23 P24 . . . 154.26(5) ?
Cu21 Cu23 P25 . . . 93.61(4) ?
Cu22 Cu23 C211 . . . 50.47(16) ?
Cu22 Cu23 P24 . . . 95.19(5) ?
Cu22 Cu23 P25 . . . 153.60(4) ?
C211 Cu23 P24 . . . 108.31(14) ?
C211 Cu23 P25 . . . 120.85(16) ?
P24 Cu23 P25 . . . 110.81(5) ?
Cu11 C111 Cu12 . . . 81.37(19) ?
Cu11 C111 Cu13 . . . 81.37(17) ?
Cu11 C111 C112 . . . 135.6(4) ?
Cu12 C111 Cu13 . . . 78.6(2) ?
Cu12 C111 C112 . . . 137.6(4) ?
Cu13 C111 C112 . . . 120.0(4) ?
C111 C112 C113 . . . 176.1(5) ?
C112 C113 C114 . . . 176.2(6) ?
Au1 C114 C113 . . . 177.8(5) ?
Au1 C121 C122 . . . 176.8(5) ?
C121 C122 C123 . . . 177.7(6) ?
C122 C123 C124 . . . 178.1(6) ?
C123 C124 H124 . . . 179.5(8) ?
Cu11 P11 C1111 . . . 116.75(17) ?
Cu11 P11 C1121 . . . 115.11(15) ?
Cu11 P11 C11 . . . 111.94(16) ?
C1111 P11 C1121 . . . 103.3(2) ?
C1111 P11 C11 . . . 105.5(2) ?
C1121 P11 C11 . . . 102.7(2) ?
P11 C1111 C1112 . . . 117.7(4) ?
P11 C1111 C1116 . . . 123.3(5) ?
C1112 C1111 C1116 . . . 118.9(5) ?
C1111 C1112 C1113 . . . 120.4(5) ?
C1111 C1112 H1112 . . . 119.5(6) ?
C1113 C1112 H1112 . . . 120.1(6) ?
C1112 C1113 C1114 . . . 119.7(6) ?
C1112 C1113 H1113 . . . 119.9(6) ?
C1114 C1113 H1113 . . . 120.4(7) ?
C1113 C1114 C1115 . . . 120.3(6) ?
C1113 C1114 H1114 . . . 119.8(7) ?
C1115 C1114 H1114 . . . 119.9(6) ?
C1114 C1115 C1116 . . . 121.2(5) ?
C1114 C1115 H1115 . . . 120.1(7) ?
C1116 C1115 H1115 . . . 118.8(7) ?
C1111 C1116 C1115 . . . 119.5(6) ?
C1111 C1116 H1116 . . . 120.1(6) ?
C1115 C1116 H1116 . . . 120.4(5) ?
P11 C1121 C1122 . . . 118.6(4) ?
P11 C1121 C1126 . . . 123.4(4) ?
C1122 C1121 C1126 . . . 117.9(5) ?
C1121 C1122 C1123 . . . 120.7(5) ?
C1121 C1122 H1122 . . . 118.4(5) ?
C1123 C1122 H1122 . . . 120.8(6) ?
C1122 C1123 C1124 . . . 120.8(6) ?
C1122 C1123 H1123 . . . 119.5(6) ?
C1124 C1123 H1123 . . . 119.7(5) ?
C1123 C1124 C1125 . . . 118.9(5) ?
C1123 C1124 H1124 . . . 120.1(6) ?
C1125 C1124 H1124 . . . 121.0(6) ?
C1124 C1125 C1126 . . . 121.6(6) ?
C1124 C1125 H1125 . . . 118.6(5) ?
C1126 C1125 H1125 . . . 119.7(6) ?
C1121 C1126 C1125 . . . 120.1(5) ?
C1121 C1126 H1126 . . . 119.4(5) ?
C1125 C1126 H1126 . . . 120.5(6) ?
P11 C11 P12 . . . 109.8(3) ?
P11 C11 H11a . . . 109.2(4) ?
P11 C11 H11b . . . 109.2(4) ?
P12 C11 H11a . . . 110.1(4) ?
P12 C11 H11b . . . 110.1(4) ?
H11a C11 H11b . . . 108.4(5) ?
Cu12 P12 C11 . . . 110.80(15) ?
Cu12 P12 C1211 . . . 116.99(17) ?
Cu12 P12 C1221 . . . 116.26(17) ?
C11 P12 C1211 . . . 103.7(2) ?
C11 P12 C1221 . . . 104.3(2) ?
C1211 P12 C1221 . . . 103.3(2) ?
P12 C1211 C1212 . . . 121.4(4) ?
P12 C1211 C1216 . . . 119.3(4) ?
C1212 C1211 C1216 . . . 119.2(5) ?
C1211 C1212 C1213 . . . 119.9(6) ?
C1211 C1212 H1212 . . . 119.3(6) ?
C1213 C1212 H1212 . . . 120.8(5) ?
C1212 C1213 C1214 . . . 120.2(5) ?
C1212 C1213 H1213 . . . 119.6(6) ?
C1214 C1213 H1213 . . . 120.1(6) ?
C1213 C1214 C1215 . . . 120.6(6) ?
C1213 C1214 H1214 . . . 120.6(6) ?
C1215 C1214 H1214 . . . 118.8(6) ?
C1214 C1215 C1216 . . . 119.2(6) ?
C1214 C1215 H1215 . . . 120.4(6) ?
C1216 C1215 H1215 . . . 120.3(6) ?
C1211 C1216 C1215 . . . 120.9(5) ?
C1211 C1216 H1216 . . . 118.9(6) ?
C1215 C1216 H1216 . . . 120.2(6) ?
P12 C1221 C1222 . . . 122.3(4) ?
P12 C1221 C1226 . . . 117.9(4) ?
C1222 C1221 C1226 . . . 119.7(6) ?
C1221 C1222 C1223 . . . 119.2(5) ?
C1221 C1222 H1222 . . . 120.5(6) ?
C1223 C1222 H1222 . . . 120.3(6) ?
C1222 C1223 C1224 . . . 121.0(6) ?
C1222 C1223 H1223 . . . 120.1(6) ?
C1224 C1223 H1223 . . . 118.9(7) ?
C1223 C1224 C1225 . . . 119.7(7) ?
C1223 C1224 H1224 . . . 120.8(7) ?
C1225 C1224 H1224 . . . 119.4(6) ?
C1224 C1225 C1226 . . . 120.5(5) ?
C1224 C1225 H1225 . . . 119.2(7) ?
C1226 C1225 H1225 . . . 120.3(7) ?
C1221 C1226 C1225 . . . 119.9(6) ?
C1221 C1226 H1226 . . . 120.5(6) ?
C1225 C1226 H1226 . . . 119.6(5) ?
Cu12 P13 C1311 . . . 121.20(17) ?
Cu12 P13 C1321 . . . 112.07(18) ?
Cu12 P13 C13 . . . 110.67(18) ?
C1311 P13 C1321 . . . 104.2(3) ?
C1311 P13 C13 . . . 106.4(3) ?
C1321 P13 C13 . . . 100.2(2) ?
P13 C1311 C1312 . . . 118.3(4) ?
P13 C1311 C1316 . . . 123.1(5) ?
C1312 C1311 C1316 . . . 118.6(6) ?
C1311 C1312 C1313 . . . 120.8(6) ?
C1311 C1312 H1312 . . . 118.9(7) ?
C1313 C1312 H1312 . . . 120.3(6) ?
C1312 C1313 C1314 . . . 119.3(6) ?
C1312 C1313 H1313 . . . 120.6(7) ?
C1314 C1313 H1313 . . . 120.1(8) ?
C1313 C1314 C1315 . . . 120.5(7) ?
C1313 C1314 H1314 . . . 120.4(7) ?
C1315 C1314 H1314 . . . 119.1(7) ?
C1314 C1315 C1316 . . . 120.8(6) ?
C1314 C1315 H1315 . . . 118.9(8) ?
C1316 C1315 H1315 . . . 120.3(7) ?
C1311 C1316 C1315 . . . 120.0(6) ?
C1311 C1316 H1316 . . . 119.2(7) ?
C1315 C1316 H1316 . . . 120.8(6) ?
P13 C1321 C1322 . . . 117.4(4) ?
P13 C1321 C1326 . . . 123.4(5) ?
C1322 C1321 C1326 . . . 119.1(5) ?
C1321 C1322 C1323 . . . 121.1(6) ?
C1321 C1322 H1322 . . . 119.4(5) ?
C1323 C1322 H1322 . . . 119.5(7) ?
C1322 C1323 C1324 . . . 118.9(7) ?
C1322 C1323 H1323 . . . 121.6(7) ?
C1324 C1323 H1323 . . . 119.6(6) ?
C1323 C1324 C1325 . . . 120.8(6) ?
C1323 C1324 H1324 . . . 120.3(7) ?
C1325 C1324 H1324 . . . 119.0(7) ?
C1324 C1325 C1326 . . . 120.3(6) ?
C1324 C1325 H1325 . . . 120.1(6) ?
C1326 C1325 H1325 . . . 119.6(7) ?
C1321 C1326 C1325 . . . 119.8(6) ?
C1321 C1326 H1326 . . . 119.6(5) ?
C1325 C1326 H1326 . . . 120.6(6) ?
P13 C13 P14 . . . 110.9(3) ?
P13 C13 H13a . . . 109.1(4) ?
P13 C13 H13b . . . 109.4(4) ?
P14 C13 H13a . . . 109.7(4) ?
P14 C13 H13b . . . 109.8(4) ?
H13a C13 H13b . . . 107.9(5) ?
Cu13 P14 C13 . . . 109.90(17) ?
Cu13 P14 C1411 . . . 119.47(17) ?
Cu13 P14 C1421 . . . 114.7(2) ?
C13 P14 C1411 . . . 104.4(3) ?
C13 P14 C1421 . . . 101.7(2) ?
C1411 P14 C1421 . . . 104.8(3) ?
P14 C1411 C1412 . . . 122.5(5) ?
P14 C1411 C1416 . . . 118.0(4) ?
C1412 C1411 C1416 . . . 119.5(6) ?
C1411 C1412 C1413 . . . 119.6(6) ?
C1411 C1412 H1412 . . . 119.8(7) ?
C1413 C1412 H1412 . . . 120.6(6) ?
C1412 C1413 C1414 . . . 120.6(6) ?
C1412 C1413 H1413 . . . 119.5(7) ?
C1414 C1413 H1413 . . . 119.9(8) ?
C1413 C1414 C1415 . . . 120.9(8) ?
C1413 C1414 H1414 . . . 120.0(7) ?
C1415 C1414 H1414 . . . 119.1(7) ?
C1414 C1415 C1416 . . . 119.2(7) ?
C1414 C1415 H1415 . . . 119.8(8) ?
C1416 C1415 H1415 . . . 121.0(7) ?
C1411 C1416 C1415 . . . 120.2(6) ?
C1411 C1416 H1416 . . . 120.2(7) ?
C1415 C1416 H1416 . . . 119.6(6) ?
P14 C1421 C1422 . . . 121.0(4) ?
P14 C1421 C1426 . . . 120.0(5) ?
C1422 C1421 C1426 . . . 118.7(6) ?
C1421 C1422 C1423 . . . 121.7(5) ?
C1421 C1422 H1422 . . . 119.0(6) ?
C1423 C1422 H1422 . . . 119.4(6) ?
C1422 C1423 C1424 . . . 119.1(7) ?
C1422 C1423 H1423 . . . 120.4(6) ?
C1424 C1423 H1423 . . . 120.5(7) ?
C1423 C1424 C1425 . . . 120.0(7) ?
C1423 C1424 H1424 . . . 120.8(8) ?
C1425 C1424 H1424 . . . 119.2(7) ?
C1424 C1425 C1426 . . . 121.5(6) ?
C1424 C1425 H1425 . . . 118.1(8) ?
C1426 C1425 H1425 . . . 120.4(9) ?
C1421 C1426 C1425 . . . 119.1(7) ?
C1421 C1426 H1426 . . . 120.2(6) ?
C1425 C1426 H1426 . . . 120.7(6) ?
Cu13 P15 C1511 . . . 113.97(16) ?
Cu13 P15 C1521 . . . 114.44(19) ?
Cu13 P15 C15 . . . 114.09(16) ?
C1511 P15 C1521 . . . 106.5(2) ?
C1511 P15 C15 . . . 105.6(3) ?
C1521 P15 C15 . . . 101.1(2) ?
P15 C1511 C1512 . . . 117.0(4) ?
P15 C1511 C1516 . . . 123.3(4) ?
C1512 C1511 C1516 . . . 119.7(5) ?
C1511 C1512 C1513 . . . 120.7(5) ?
C1511 C1512 H1512 . . . 119.9(6) ?
C1513 C1512 H1512 . . . 119.4(5) ?
C1512 C1513 C1514 . . . 119.5(5) ?
C1512 C1513 H1513 . . . 119.9(6) ?
C1514 C1513 H1513 . . . 120.6(6) ?
C1513 C1514 C1515 . . . 120.4(6) ?
C1513 C1514 H1514 . . . 119.2(5) ?
C1515 C1514 H1514 . . . 120.4(6) ?
C1514 C1515 C1516 . . . 120.6(5) ?
C1514 C1515 H1515 . . . 120.6(7) ?
C1516 C1515 H1515 . . . 118.8(6) ?
C1511 C1516 C1515 . . . 119.1(5) ?
C1511 C1516 H1516 . . . 120.3(6) ?
C1515 C1516 H1516 . . . 120.6(5) ?
P15 C1521 C1522 . . . 119.0(4) ?
P15 C1521 C1526 . . . 122.4(4) ?
C1522 C1521 C1526 . . . 118.3(5) ?
C1521 C1522 C1523 . . . 122.3(5) ?
C1521 C1522 H1522 . . . 117.8(6) ?
C1523 C1522 H1522 . . . 119.9(6) ?
C1522 C1523 C1524 . . . 119.0(6) ?
C1522 C1523 H1523 . . . 120.4(5) ?
C1524 C1523 H1523 . . . 120.5(6) ?
C1523 C1524 C1525 . . . 119.8(6) ?
C1523 C1524 H1524 . . . 120.6(6) ?
C1525 C1524 H1524 . . . 119.5(6) ?
C1524 C1525 C1526 . . . 120.9(5) ?
C1524 C1525 H1525 . . . 120.1(7) ?
C1526 C1525 H1525 . . . 119.0(7) ?
C1521 C1526 C1525 . . . 119.6(6) ?
C1521 C1526 H1526 . . . 119.7(6) ?
C1525 C1526 H1526 . . . 120.7(5) ?
P15 C15 P16 . . . 109.9(2) ?
P15 C15 H15a . . . 109.4(4) ?
P15 C15 H15b . . . 109.7(4) ?
P16 C15 H15a . . . 110.0(4) ?
P16 C15 H15b . . . 110.2(5) ?
H15a C15 H15b . . . 107.7(5) ?
Cu11 P16 C15 . . . 111.89(19) ?
Cu11 P16 C1611 . . . 116.78(16) ?
Cu11 P16 C1621 . . . 120.13(18) ?
C15 P16 C1611 . . . 104.0(2) ?
C15 P16 C1621 . . . 103.2(2) ?
C1611 P16 C1621 . . . 98.6(3) ?
P16 C1611 C1612 . . . 120.3(4) ?
P16 C1611 C1616 . . . 119.8(4) ?
C1612 C1611 C1616 . . . 119.8(6) ?
C1611 C1612 C1613 . . . 120.2(5) ?
C1611 C1612 H1612 . . . 119.8(6) ?
C1613 C1612 H1612 . . . 120.0(6) ?
C1612 C1613 C1614 . . . 119.3(6) ?
C1612 C1613 H1613 . . . 121.5(6) ?
C1614 C1613 H1613 . . . 119.2(7) ?
C1613 C1614 C1615 . . . 120.8(7) ?
C1613 C1614 H1614 . . . 120.2(6) ?
C1615 C1614 H1614 . . . 119.0(6) ?
C1614 C1615 C1616 . . . 119.3(5) ?
C1614 C1615 H1615 . . . 120.3(7) ?
C1616 C1615 H1615 . . . 120.4(6) ?
C1611 C1616 C1615 . . . 120.6(5) ?
C1611 C1616 H1616 . . . 119.6(6) ?
C1615 C1616 H1616 . . . 119.8(5) ?
P16 C1621 C1622 . . . 124.5(4) ?
P16 C1621 C1626 . . . 117.0(4) ?
C1622 C1621 C1626 . . . 118.2(5) ?
C1621 C1622 C1623 . . . 120.7(6) ?
C1621 C1622 H1622 . . . 119.1(6) ?
C1623 C1622 H1622 . . . 120.3(6) ?
C1622 C1623 C1624 . . . 118.9(6) ?
C1622 C1623 H1623 . . . 120.4(7) ?
C1624 C1623 H1623 . . . 120.6(7) ?
C1623 C1624 C1625 . . . 121.4(6) ?
C1623 C1624 H1624 . . . 120.0(7) ?
C1625 C1624 H1624 . . . 118.7(7) ?
C1624 C1625 C1626 . . . 119.8(7) ?
C1624 C1625 H1625 . . . 121.3(6) ?
C1626 C1625 H1625 . . . 118.8(7) ?
C1621 C1626 C1625 . . . 120.9(6) ?
C1621 C1626 H1626 . . . 119.0(6) ?
C1625 C1626 H1626 . . . 120.1(6) ?
Cu21 C211 Cu22 . . . 82.6(2) ?
Cu21 C211 Cu23 . . . 81.17(19) ?
Cu21 C211 C212 . . . 136.6(5) ?
Cu22 C211 Cu23 . . . 79.1(2) ?
Cu22 C211 C212 . . . 131.3(4) ?
Cu23 C211 C212 . . . 125.4(4) ?
C211 C212 C213 . . . 174.8(5) ?
C212 C213 C214 . . . 173.0(6) ?
Au2 C214 C213 . . . 172.6(5) ?
Au2 C221 C222 . . . 175.0(5) ?
C221 C222 C223 . . . 178.8(7) ?
C222 C223 C224 . . . 178.8(7) ?
C223 C224 H224 . . . 179.7(9) ?
Cu21 P21 C2111 . . . 115.93(18) ?
Cu21 P21 C2121 . . . 119.25(16) ?
Cu21 P21 C21 . . . 111.52(16) ?
C2111 P21 C2121 . . . 101.3(2) ?
C2111 P21 C21 . . . 105.5(2) ?
C2121 P21 C21 . . . 101.6(2) ?
P21 C2111 C2112 . . . 119.7(4) ?
P21 C2111 C2116 . . . 121.2(4) ?
C2112 C2111 C2116 . . . 119.1(5) ?
C2111 C2112 C2113 . . . 119.9(5) ?
C2111 C2112 H2112 . . . 119.0(6) ?
C2113 C2112 H2112 . . . 121.1(6) ?
C2112 C2113 C2114 . . . 120.7(6) ?
C2112 C2113 H2113 . . . 120.5(6) ?
C2114 C2113 H2113 . . . 118.7(7) ?
C2113 C2114 C2115 . . . 119.3(6) ?
C2113 C2114 H2114 . . . 120.8(6) ?
C2115 C2114 H2114 . . . 119.8(6) ?
C2114 C2115 C2116 . . . 121.3(5) ?
C2114 C2115 H2115 . . . 120.3(7) ?
C2116 C2115 H2115 . . . 118.3(6) ?
C2111 C2116 C2115 . . . 119.7(5) ?
C2111 C2116 H2116 . . . 119.5(6) ?
C2115 C2116 H2116 . . . 120.9(5) ?
P21 C2121 C2122 . . . 118.4(4) ?
P21 C2121 C2126 . . . 123.7(4) ?
C2122 C2121 C2126 . . . 117.9(5) ?
C2121 C2122 C2123 . . . 120.9(6) ?
C2121 C2122 H2122 . . . 119.2(5) ?
C2123 C2122 H2122 . . . 119.9(6) ?
C2122 C2123 C2124 . . . 119.7(6) ?
C2122 C2123 H2123 . . . 119.7(7) ?
C2124 C2123 H2123 . . . 120.5(6) ?
C2123 C2124 C2125 . . . 120.4(5) ?
C2123 C2124 H2124 . . . 120.0(7) ?
C2125 C2124 H2124 . . . 119.6(7) ?
C2124 C2125 C2126 . . . 120.3(6) ?
C2124 C2125 H2125 . . . 119.2(6) ?
C2126 C2125 H2125 . . . 120.4(7) ?
C2121 C2126 C2125 . . . 120.8(6) ?
C2121 C2126 H2126 . . . 119.4(5) ?
C2125 C2126 H2126 . . . 119.8(6) ?
P21 C21 P22 . . . 111.6(3) ?
P21 C21 H21a . . . 108.9(4) ?
P21 C21 H21b . . . 108.6(4) ?
P22 C21 H21a . . . 110.0(4) ?
P22 C21 H21b . . . 109.8(4) ?
H21a C21 H21b . . . 107.8(5) ?
Cu22 P22 C21 . . . 110.57(16) ?
Cu22 P22 C2211 . . . 117.73(18) ?
Cu22 P22 C2221 . . . 117.52(17) ?
C21 P22 C2211 . . . 103.3(2) ?
C21 P22 C2221 . . . 102.8(2) ?
C2211 P22 C2221 . . . 103.0(2) ?
P22 C2211 C2212 . . . 120.4(4) ?
P22 C2211 C2216 . . . 120.2(4) ?
C2212 C2211 C2216 . . . 119.2(5) ?
C2211 C2212 C2213 . . . 120.2(6) ?
C2211 C2212 H2212 . . . 119.2(6) ?
C2213 C2212 H2212 . . . 120.5(5) ?
C2212 C2213 C2214 . . . 120.2(6) ?
C2212 C2213 H2213 . . . 119.5(7) ?
C2214 C2213 H2213 . . . 120.4(7) ?
C2213 C2214 C2215 . . . 120.5(7) ?
C2213 C2214 H2214 . . . 119.4(6) ?
C2215 C2214 H2214 . . . 120.1(7) ?
C2214 C2215 C2216 . . . 119.7(7) ?
C2214 C2215 H2215 . . . 120.5(7) ?
C2216 C2215 H2215 . . . 119.8(7) ?
C2211 C2216 C2215 . . . 120.1(6) ?
C2211 C2216 H2216 . . . 120.1(6) ?
C2215 C2216 H2216 . . . 119.8(6) ?
P22 C2221 C2222 . . . 123.0(4) ?
P22 C2221 C2226 . . . 118.1(5) ?
C2222 C2221 C2226 . . . 118.8(6) ?
C2221 C2222 C2223 . . . 121.1(5) ?
C2221 C2222 H2222 . . . 118.9(6) ?
C2223 C2222 H2222 . . . 119.9(6) ?
C2222 C2223 C2224 . . . 118.6(6) ?
C2222 C2223 H2223 . . . 122.2(6) ?
C2224 C2223 H2223 . . . 119.2(7) ?
C2223 C2224 C2225 . . . 121.1(7) ?
C2223 C2224 H2224 . . . 120.0(7) ?
C2225 C2224 H2224 . . . 118.9(6) ?
C2224 C2225 C2226 . . . 119.2(5) ?
C2224 C2225 H2225 . . . 120.4(7) ?
C2226 C2225 H2225 . . . 120.4(7) ?
C2221 C2226 C2225 . . . 121.1(6) ?
C2221 C2226 H2226 . . . 118.9(6) ?
C2225 C2226 H2226 . . . 120.0(5) ?
Cu22 P23 C2311 . . . 119.4(2) ?
Cu22 P23 C2321 . . . 114.2(2) ?
Cu22 P23 C23 . . . 110.2(2) ?
C2311 P23 C2321 . . . 103.0(3) ?
C2311 P23 C23 . . . 106.2(3) ?
C2321 P23 C23 . . . 102.2(3) ?
P23 C2311 C2312 . . . 118.6(5) ?
P23 C2311 C2316 . . . 123.3(6) ?
C2312 C2311 C2316 . . . 118.0(7) ?
C2311 C2312 C2313 . . . 121.1(7) ?
C2311 C2312 H2312 . . . 118.9(7) ?
C2313 C2312 H2312 . . . 120.0(7) ?
C2312 C2313 C2314 . . . 118.8(8) ?
C2312 C2313 H2313 . . . 119.7(8) ?
C2314 C2313 H2313 . . . 121.4(9) ?
C2313 C2314 C2315 . . . 121.4(10) ?
C2313 C2314 H2314 . . . 119.1(9) ?
C2315 C2314 H2314 . . . 119.4(9) ?
C2314 C2315 C2316 . . . 119.1(8) ?
C2314 C2315 H2315 . . . 120.2(12) ?
C2316 C2315 H2315 . . . 120.7(10) ?
C2311 C2316 C2315 . . . 121.5(8) ?
C2311 C2316 H2316 . . . 118.1(8) ?
C2315 C2316 H2316 . . . 120.3(7) ?
P23 C2321 C2322 . . . 117.9(5) ?
P23 C2321 C2326 . . . 122.9(5) ?
C2322 C2321 C2326 . . . 119.1(5) ?
C2321 C2322 C2323 . . . 121.2(7) ?
C2321 C2322 H2322 . . . 118.6(6) ?
C2323 C2322 H2322 . . . 120.2(7) ?
C2322 C2323 C2324 . . . 119.7(7) ?
C2322 C2323 H2323 . . . 120.9(8) ?
C2324 C2323 H2323 . . . 119.4(7) ?
C2323 C2324 C2325 . . . 119.9(6) ?
C2323 C2324 H2324 . . . 119.8(8) ?
C2325 C2324 H2324 . . . 120.2(8) ?
C2324 C2325 C2326 . . . 121.3(7) ?
C2324 C2325 H2325 . . . 120.9(7) ?
C2326 C2325 H2325 . . . 117.8(8) ?
C2321 C2326 C2325 . . . 118.8(7) ?
C2321 C2326 H2326 . . . 120.3(6) ?
C2325 C2326 H2326 . . . 120.9(7) ?
P23 C23 P24 . . . 109.6(3) ?
P23 C23 H23a . . . 109.1(4) ?
P23 C23 H23b . . . 110.0(5) ?
P24 C23 H23a . . . 109.4(5) ?
P24 C23 H23b . . . 110.4(4) ?
H23a C23 H23b . . . 108.2(5) ?
Cu23 P24 C23 . . . 112.04(18) ?
Cu23 P24 C2411 . . . 117.57(18) ?
Cu23 P24 C2421 . . . 114.55(19) ?
C23 P24 C2411 . . . 104.6(3) ?
C23 P24 C2421 . . . 101.8(3) ?
C2411 P24 C2421 . . . 104.7(3) ?
P24 C2411 C2412 . . . 122.2(5) ?
P24 C2411 C2416 . . . 118.2(4) ?
C2412 C2411 C2416 . . . 119.6(6) ?
C2411 C2412 C2413 . . . 119.6(6) ?
C2411 C2412 H2412 . . . 119.5(7) ?
C2413 C2412 H2412 . . . 120.9(6) ?
C2412 C2413 C2414 . . . 119.9(6) ?
C2412 C2413 H2413 . . . 119.6(7) ?
C2414 C2413 H2413 . . . 120.6(8) ?
C2413 C2414 C2415 . . . 121.8(8) ?
C2413 C2414 H2414 . . . 119.7(7) ?
C2415 C2414 H2414 . . . 118.6(8) ?
C2414 C2415 C2416 . . . 117.6(7) ?
C2414 C2415 H2415 . . . 121.4(8) ?
C2416 C2415 H2415 . . . 121.0(7) ?
C2411 C2416 C2415 . . . 121.6(6) ?
C2411 C2416 H2416 . . . 119.9(7) ?
C2415 C2416 H2416 . . . 118.5(6) ?
P24 C2421 C2422 . . . 119.1(4) ?
P24 C2421 C2426 . . . 122.3(5) ?
C2422 C2421 C2426 . . . 118.5(6) ?
C2421 C2422 C2423 . . . 121.5(5) ?
C2421 C2422 H2422 . . . 119.2(6) ?
C2423 C2422 H2422 . . . 119.3(7) ?
C2422 C2423 C2424 . . . 119.0(6) ?
C2422 C2423 H2423 . . . 120.5(6) ?
C2424 C2423 H2423 . . . 120.5(6) ?
C2423 C2424 C2425 . . . 120.5(6) ?
C2423 C2424 H2424 . . . 119.7(7) ?
C2425 C2424 H2424 . . . 119.8(6) ?
C2424 C2425 C2426 . . . 120.5(5) ?
C2424 C2425 H2425 . . . 119.7(7) ?
C2426 C2425 H2425 . . . 119.8(7) ?
C2421 C2426 C2425 . . . 120.1(6) ?
C2421 C2426 H2426 . . . 120.2(6) ?
C2425 C2426 H2426 . . . 119.7(5) ?
Cu23 P25 C2511 . . . 114.19(17) ?
Cu23 P25 C2521 . . . 117.6(2) ?
Cu23 P25 C25 . . . 113.81(17) ?
C2511 P25 C2521 . . . 103.9(3) ?
C2511 P25 C25 . . . 102.6(3) ?
C2521 P25 C25 . . . 102.9(2) ?
P25 C2511 C2512 . . . 118.2(4) ?
P25 C2511 C2516 . . . 123.1(4) ?
C2512 C2511 C2516 . . . 118.5(6) ?
C2511 C2512 C2513 . . . 121.1(5) ?
C2511 C2512 H2512 . . . 119.1(6) ?
C2513 C2512 H2512 . . . 119.8(6) ?
C2512 C2513 C2514 . . . 119.7(6) ?
C2512 C2513 H2513 . . . 120.0(6) ?
C2514 C2513 H2513 . . . 120.3(7) ?
C2513 C2514 C2515 . . . 119.8(7) ?
C2513 C2514 H2514 . . . 120.2(6) ?
C2515 C2514 H2514 . . . 120.0(6) ?
C2514 C2515 C2516 . . . 120.9(6) ?
C2514 C2515 H2515 . . . 118.9(7) ?
C2516 C2515 H2515 . . . 120.2(6) ?
C2511 C2516 C2515 . . . 120.0(5) ?
C2511 C2516 H2516 . . . 120.1(6) ?
C2515 C2516 H2516 . . . 119.9(5) ?
P25 C2521 C2522 . . . 122.9(4) ?
P25 C2521 C2526 . . . 118.5(5) ?
C2522 C2521 C2526 . . . 118.5(6) ?
C2521 C2522 C2523 . . . 120.6(5) ?
C2521 C2522 H2522 . . . 119.3(6) ?
C2523 C2522 H2522 . . . 120.1(6) ?
C2522 C2523 C2524 . . . 119.9(7) ?
C2522 C2523 H2523 . . . 120.5(6) ?
C2524 C2523 H2523 . . . 119.6(7) ?
C2523 C2524 C2525 . . . 120.8(7) ?
C2523 C2524 H2524 . . . 120.5(8) ?
C2525 C2524 H2524 . . . 118.8(6) ?
C2524 C2525 C2526 . . . 120.2(6) ?
C2524 C2525 H2525 . . . 119.8(7) ?
C2526 C2525 H2525 . . . 120.0(8) ?
C2521 C2526 C2525 . . . 120.1(6) ?
C2521 C2526 H2526 . . . 119.7(6) ?
C2525 C2526 H2526 . . . 120.2(6) ?
P25 C25 P26 . . . 112.0(3) ?
P25 C25 H25a . . . 109.9(4) ?
P25 C25 H25b . . . 109.7(4) ?
P26 C25 H25a . . . 109.2(4) ?
P26 C25 H25b . . . 109.0(4) ?
H25a C25 H25b . . . 107.0(5) ?
Cu21 P26 C25 . . . 111.70(18) ?
Cu21 P26 C2621 . . . 118.76(18) ?
Cu21 P26 C2611 . . . 116.11(16) ?
C25 P26 C2621 . . . 97.8(2) ?
C25 P26 C2611 . . . 107.9(3) ?
C2621 P26 C2611 . . . 102.6(3) ?
P26 C2621 C2622 . . . 118.6(4) ?
P26 C2621 C2626 . . . 123.2(4) ?
C2622 C2621 C2626 . . . 118.0(5) ?
C2621 C2622 C2623 . . . 121.2(5) ?
C2621 C2622 H2622 . . . 118.7(5) ?
C2623 C2622 H2622 . . . 120.0(6) ?
C2622 C2623 C2624 . . . 119.5(6) ?
C2622 C2623 H2623 . . . 120.0(6) ?
C2624 C2623 H2623 . . . 120.5(5) ?
C2623 C2624 C2625 . . . 120.0(5) ?
C2623 C2624 H2624 . . . 120.2(6) ?
C2625 C2624 H2624 . . . 119.8(6) ?
C2624 C2625 C2626 . . . 120.7(6) ?
C2624 C2625 H2625 . . . 120.0(5) ?
C2626 C2625 H2625 . . . 119.3(6) ?
C2621 C2626 C2625 . . . 120.5(6) ?
C2621 C2626 H2626 . . . 119.8(5) ?
C2625 C2626 H2626 . . . 119.7(6) ?
P26 C2611 C2612 . . . 124.9(4) ?
P26 C2611 C2616 . . . 116.9(4) ?
C2612 C2611 C2616 . . . 118.2(6) ?
C2611 C2612 C2613 . . . 120.3(5) ?
C2611 C2612 H2612 . . . 119.8(6) ?
C2613 C2612 H2612 . . . 120.0(5) ?
C2612 C2613 C2614 . . . 120.1(6) ?
C2612 C2613 H2613 . . . 120.3(6) ?
C2614 C2613 H2613 . . . 119.6(7) ?
C2613 C2614 C2615 . . . 120.1(7) ?
C2613 C2614 H2614 . . . 118.7(6) ?
C2615 C2614 H2614 . . . 121.1(7) ?
C2614 C2615 C2616 . . . 120.0(6) ?
C2614 C2615 H2615 . . . 119.3(7) ?
C2616 C2615 H2615 . . . 120.7(6) ?
C2611 C2616 C2615 . . . 121.2(5) ?
C2611 C2616 H2616 . . . 118.9(6) ?
C2615 C2616 H2616 . . . 119.9(6) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Au1 C114 . . 1.964(6) ?
Au1 C121 . . 1.972(6) ?
I1 Cu11 . . 2.9055(8) ?
I1 Cu12 . . 2.7804(7) ?
I1 Cu13 . . 2.8001(7) ?
Cu11 Cu12 . . 2.7236(9) ?
Cu11 Cu13 . . 2.7722(8) ?
Cu11 C111 . . 2.096(4) ?
Cu11 P11 . . 2.2847(13) ?
Cu11 P16 . . 2.2895(15) ?
Cu12 Cu13 . . 2.6846(8) ?
Cu12 C111 . . 2.082(6) ?
Cu12 P12 . . 2.2638(13) ?
Cu12 P13 . . 2.2752(15) ?
Cu13 C111 . . 2.156(5) ?
Cu13 P14 . . 2.2675(15) ?
Cu13 P15 . . 2.2505(14) ?
Au2 C214 . . 1.975(6) ?
Au2 C221 . . 1.970(6) ?
I2 Cu21 . . 2.8259(9) ?
I2 Cu22 . . 2.8092(7) ?
I2 Cu23 . . 2.8514(8) ?
Cu21 Cu22 . . 2.7761(9) ?
Cu21 Cu23 . . 2.7354(8) ?
Cu21 C211 . . 2.094(5) ?
Cu21 P21 . . 2.2757(14) ?
Cu21 P26 . . 2.2821(15) ?
Cu22 Cu23 . . 2.6894(9) ?
Cu22 C211 . . 2.112(6) ?
Cu22 P22 . . 2.2660(14) ?
Cu22 P23 . . 2.2768(16) ?
Cu23 C211 . . 2.110(5) ?
Cu23 P24 . . 2.2706(15) ?
Cu23 P25 . . 2.2560(14) ?
C111 C112 . . 1.196(8) ?
C112 C113 . . 1.380(8) ?
C113 C114 . . 1.238(9) ?
C121 C122 . . 1.224(8) ?
C122 C123 . . 1.345(8) ?
C123 C124 . . 1.210(9) ?
C124 H124 . . .958(7) ?
P11 C1111 . . 1.813(6) ?
P11 C1121 . . 1.827(5) ?
P11 C11 . . 1.844(6) ?
C1111 C1112 . . 1.392(9) ?
C1111 C1116 . . 1.405(7) ?
C1112 C1113 . . 1.385(9) ?
C1112 H1112 . . .958(5) ?
C1113 C1114 . . 1.391(9) ?
C1113 H1113 . . .963(7) ?
C1114 C1115 . . 1.355(10) ?
C1114 H1114 . . .972(7) ?
C1115 C1116 . . 1.386(9) ?
C1115 H1115 . . .969(6) ?
C1116 H1116 . . .964(6) ?
C1121 C1122 . . 1.389(8) ?
C1121 C1126 . . 1.396(8) ?
C1122 C1123 . . 1.372(8) ?
C1122 H1122 . . .965(6) ?
C1123 C1124 . . 1.389(9) ?
C1123 H1123 . . .973(6) ?
C1124 C1125 . . 1.346(9) ?
C1124 H1124 . . .961(5) ?
C1125 C1126 . . 1.386(8) ?
C1125 H1125 . . .971(6) ?
C1126 H1126 . . .962(6) ?
C11 P12 . . 1.833(5) ?
C11 H11a . . .956(5) ?
C11 H11b . . .957(5) ?
P12 C1211 . . 1.822(5) ?
P12 C1221 . . 1.831(6) ?
C1211 C1212 . . 1.405(7) ?
C1211 C1216 . . 1.384(8) ?
C1212 C1213 . . 1.378(9) ?
C1212 H1212 . . .962(6) ?
C1213 C1214 . . 1.382(9) ?
C1213 H1213 . . .973(6) ?
C1214 C1215 . . 1.386(8) ?
C1214 H1214 . . .968(6) ?
C1215 C1216 . . 1.386(8) ?
C1215 H1215 . . .962(6) ?
C1216 H1216 . . .956(5) ?
C1221 C1222 . . 1.388(8) ?
C1221 C1226 . . 1.402(7) ?
C1222 C1223 . . 1.403(10) ?
C1222 H1222 . . .959(5) ?
C1223 C1224 . . 1.366(8) ?
C1223 H1223 . . .964(7) ?
C1224 C1225 . . 1.390(10) ?
C1224 H1224 . . .963(7) ?
C1225 C1226 . . 1.381(10) ?
C1225 H1225 . . .961(5) ?
C1226 H1226 . . .971(6) ?
P13 C1311 . . 1.818(7) ?
P13 C1321 . . 1.831(5) ?
P13 C13 . . 1.842(5) ?
C1311 C1312 . . 1.383(8) ?
C1311 C1316 . . 1.407(8) ?
C1312 C1313 . . 1.381(10) ?
C1312 H1312 . . .966(6) ?
C1313 C1314 . . 1.388(10) ?
C1313 H1313 . . .959(7) ?
C1314 C1315 . . 1.359(10) ?
C1314 H1314 . . .963(8) ?
C1315 C1316 . . 1.370(11) ?
C1315 H1315 . . .970(6) ?
C1316 H1316 . . .966(6) ?
C1321 C1322 . . 1.391(9) ?
C1321 C1326 . . 1.381(8) ?
C1322 C1323 . . 1.375(8) ?
C1322 H1322 . . .972(6) ?
C1323 C1324 . . 1.382(10) ?
C1323 H1323 . . .963(7) ?
C1324 C1325 . . 1.368(11) ?
C1324 H1324 . . .964(6) ?
C1325 C1326 . . 1.385(8) ?
C1325 H1325 . . .973(6) ?
C1326 H1326 . . .986(7) ?
C13 P14 . . 1.826(5) ?
C13 H13a . . .961(5) ?
C13 H13b . . .957(6) ?
P14 C1411 . . 1.814(6) ?
P14 C1421 . . 1.838(6) ?
C1411 C1412 . . 1.406(8) ?
C1411 C1416 . . 1.394(8) ?
C1412 C1413 . . 1.382(11) ?
C1412 H1412 . . .968(6) ?
C1413 C1414 . . 1.368(11) ?
C1413 H1413 . . .958(6) ?
C1414 C1415 . . 1.392(11) ?
C1414 H1414 . . .980(9) ?
C1415 C1416 . . 1.393(11) ?
C1415 H1415 . . .967(7) ?
C1416 H1416 . . .968(6) ?
C1421 C1422 . . 1.376(9) ?
C1421 C1426 . . 1.395(8) ?
C1422 C1423 . . 1.387(10) ?
C1422 H1422 . . .968(6) ?
C1423 C1424 . . 1.369(10) ?
C1423 H1423 . . .985(7) ?
C1424 C1425 . . 1.370(13) ?
C1424 H1424 . . .963(8) ?
C1425 C1426 . . 1.382(11) ?
C1425 H1425 . . .964(6) ?
C1426 H1426 . . .985(8) ?
P15 C1511 . . 1.821(6) ?
P15 C1521 . . 1.827(6) ?
P15 C15 . . 1.829(5) ?
C1511 C1512 . . 1.388(7) ?
C1511 C1516 . . 1.389(7) ?
C1512 C1513 . . 1.384(9) ?
C1512 H1512 . . .963(5) ?
C1513 C1514 . . 1.380(8) ?
C1513 H1513 . . .960(6) ?
C1514 C1515 . . 1.374(8) ?
C1514 H1514 . . .969(6) ?
C1515 C1516 . . 1.395(9) ?
C1515 H1515 . . .961(6) ?
C1516 H1516 . . .967(6) ?
C1521 C1522 . . 1.374(8) ?
C1521 C1526 . . 1.389(7) ?
C1522 C1523 . . 1.384(9) ?
C1522 H1522 . . .960(5) ?
C1523 C1524 . . 1.375(8) ?
C1523 H1523 . . .975(6) ?
C1524 C1525 . . 1.372(10) ?
C1524 H1524 . . .970(7) ?
C1525 C1526 . . 1.394(9) ?
C1525 H1525 . . .961(6) ?
C1526 H1526 . . .970(6) ?
C15 P16 . . 1.831(5) ?
C15 H15a . . .962(6) ?
C15 H15b . . .958(5) ?
P16 C1611 . . 1.825(6) ?
P16 C1621 . . 1.828(5) ?
C1611 C1612 . . 1.387(8) ?
C1611 C1616 . . 1.370(7) ?
C1612 C1613 . . 1.385(10) ?
C1612 H1612 . . .979(6) ?
C1613 C1614 . . 1.382(9) ?
C1613 H1613 . . .962(6) ?
C1614 C1615 . . 1.378(9) ?
C1614 H1614 . . .959(7) ?
C1615 C1616 . . 1.388(9) ?
C1615 H1615 . . .967(6) ?
C1616 H1616 . . .966(5) ?
C1621 C1622 . . 1.367(8) ?
C1621 C1626 . . 1.385(8) ?
C1622 C1623 . . 1.408(9) ?
C1622 H1622 . . .974(7) ?
C1623 C1624 . . 1.360(11) ?
C1623 H1623 . . .972(7) ?
C1624 C1625 . . 1.343(10) ?
C1624 H1624 . . .975(6) ?
C1625 C1626 . . 1.385(9) ?
C1625 H1625 . . .980(8) ?
C1626 H1626 . . .969(6) ?
C211 C212 . . 1.184(8) ?
C212 C213 . . 1.404(8) ?
C213 C214 . . 1.226(9) ?
C221 C222 . . 1.225(9) ?
C222 C223 . . 1.379(9) ?
C223 C224 . . 1.184(11) ?
C224 H224 . . .967(8) ?
P21 C2111 . . 1.820(6) ?
P21 C2121 . . 1.819(5) ?
P21 C21 . . 1.832(6) ?
C2111 C2112 . . 1.395(8) ?
C2111 C2116 . . 1.400(7) ?
C2112 C2113 . . 1.379(10) ?
C2112 H2112 . . .953(5) ?
C2113 C2114 . . 1.392(9) ?
C2113 H2113 . . .971(7) ?
C2114 C2115 . . 1.361(9) ?
C2114 H2114 . . .964(7) ?
C2115 C2116 . . 1.384(9) ?
C2115 H2115 . . .961(5) ?
C2116 H2116 . . .962(6) ?
C2121 C2122 . . 1.397(9) ?
C2121 C2126 . . 1.397(9) ?
C2122 C2123 . . 1.391(8) ?
C2122 H2122 . . .961(6) ?
C2123 C2124 . . 1.369(10) ?
C2123 H2123 . . .973(7) ?
C2124 C2125 . . 1.376(10) ?
C2124 H2124 . . .969(6) ?
C2125 C2126 . . 1.378(8) ?
C2125 H2125 . . .975(7) ?
C2126 H2126 . . .969(6) ?
C21 P22 . . 1.822(5) ?
C21 H21a . . .958(5) ?
C21 H21b . . .962(6) ?
P22 C2211 . . 1.827(6) ?
P22 C2221 . . 1.837(6) ?
C2211 C2212 . . 1.400(7) ?
C2211 C2216 . . 1.383(9) ?
C2212 C2213 . . 1.373(9) ?
C2212 H2212 . . .975(6) ?
C2213 C2214 . . 1.367(10) ?
C2213 H2213 . . .965(6) ?
C2214 C2215 . . 1.386(10) ?
C2214 H2214 . . .970(7) ?
C2215 C2216 . . 1.386(10) ?
C2215 H2215 . . .958(7) ?
C2216 H2216 . . .962(6) ?
C2221 C2222 . . 1.397(9) ?
C2221 C2226 . . 1.393(7) ?
C2222 C2223 . . 1.373(10) ?
C2222 H2222 . . .967(6) ?
C2223 C2224 . . 1.394(9) ?
C2223 H2223 . . .959(7) ?
C2224 C2225 . . 1.390(11) ?
C2224 H2224 . . .962(8) ?
C2225 C2226 . . 1.367(10) ?
C2225 H2225 . . .964(6) ?
C2226 H2226 . . .971(6) ?
P23 C2311 . . 1.799(8) ?
P23 C2321 . . 1.832(5) ?
P23 C23 . . 1.841(6) ?
C2311 C2312 . . 1.387(10) ?
C2311 C2316 . . 1.394(9) ?
C2312 C2313 . . 1.384(12) ?
C2312 H2312 . . .967(7) ?
C2313 C2314 . . 1.387(12) ?
C2313 H2313 . . .965(9) ?
C2314 C2315 . . 1.365(14) ?
C2314 H2314 . . .967(11) ?
C2315 C2316 . . 1.376(15) ?
C2315 H2315 . . .974(8) ?
C2316 H2316 . . .996(8) ?
C2321 C2322 . . 1.387(10) ?
C2321 C2326 . . 1.393(10) ?
C2322 C2323 . . 1.379(9) ?
C2322 H2322 . . .973(7) ?
C2323 C2324 . . 1.389(11) ?
C2323 H2323 . . .967(8) ?
C2324 C2325 . . 1.352(12) ?
C2324 H2324 . . .961(7) ?
C2325 C2326 . . 1.411(9) ?
C2325 H2325 . . .973(8) ?
C2326 H2326 . . .978(8) ?
C23 P24 . . 1.842(5) ?
C23 H23a . . .966(7) ?
C23 H23b . . .949(6) ?
P24 C2411 . . 1.819(7) ?
P24 C2421 . . 1.845(6) ?
C2411 C2412 . . 1.408(8) ?
C2411 C2416 . . 1.372(9) ?
C2412 C2413 . . 1.381(11) ?
C2412 H2412 . . .964(7) ?
C2413 C2414 . . 1.375(11) ?
C2413 H2413 . . .962(7) ?
C2414 C2415 . . 1.396(10) ?
C2414 H2414 . . .972(9) ?
C2415 C2416 . . 1.396(11) ?
C2415 H2415 . . .973(7) ?
C2416 H2416 . . .969(6) ?
C2421 C2422 . . 1.390(9) ?
C2421 C2426 . . 1.388(7) ?
C2422 C2423 . . 1.387(9) ?
C2422 H2422 . . .965(5) ?
C2423 C2424 . . 1.379(8) ?
C2423 H2423 . . .967(7) ?
C2424 C2425 . . 1.372(10) ?
C2424 H2424 . . .959(7) ?
C2425 C2426 . . 1.390(9) ?
C2425 H2425 . . .965(5) ?
C2426 H2426 . . .971(7) ?
P25 C2511 . . 1.807(6) ?
P25 C2521 . . 1.835(6) ?
P25 C25 . . 1.829(5) ?
C2511 C2512 . . 1.396(8) ?
C2511 C2516 . . 1.399(7) ?
C2512 C2513 . . 1.368(10) ?
C2512 H2512 . . .956(6) ?
C2513 C2514 . . 1.392(9) ?
C2513 H2513 . . .975(6) ?
C2514 C2515 . . 1.372(9) ?
C2514 H2514 . . .971(8) ?
C2515 C2516 . . 1.373(10) ?
C2515 H2515 . . .953(6) ?
C2516 H2516 . . .972(6) ?
C2521 C2522 . . 1.391(9) ?
C2521 C2526 . . 1.403(8) ?
C2522 C2523 . . 1.387(10) ?
C2522 H2522 . . .972(6) ?
C2523 C2524 . . 1.378(9) ?
C2523 H2523 . . .964(7) ?
C2524 C2525 . . 1.362(12) ?
C2524 H2524 . . .969(7) ?
C2525 C2526 . . 1.393(10) ?
C2525 H2525 . . .969(6) ?
C2526 H2526 . . .985(7) ?
C25 P26 . . 1.841(5) ?
C25 H25a . . .963(5) ?
C25 H25b . . .966(6) ?
P26 C2621 . . 1.834(5) ?
P26 C2611 . . 1.825(6) ?
C2621 C2622 . . 1.400(8) ?
C2621 C2626 . . 1.391(8) ?
C2622 C2623 . . 1.383(7) ?
C2622 H2622 . . .967(6) ?
C2623 C2624 . . 1.378(9) ?
C2623 H2623 . . .971(6) ?
C2624 C2625 . . 1.379(9) ?
C2624 H2624 . . .970(5) ?
C2625 C2626 . . 1.379(8) ?
C2625 H2625 . . .973(6) ?
C2626 H2626 . . .980(7) ?
C2611 C2612 . . 1.395(7) ?
C2611 C2616 . . 1.395(8) ?
C2612 C2613 . . 1.384(10) ?
C2612 H2612 . . .964(6) ?
C2613 C2614 . . 1.379(9) ?
C2613 H2613 . . .970(6) ?
C2614 C2615 . . 1.375(9) ?
C2614 H2614 . . .960(7) ?
C2615 C2616 . . 1.368(10) ?
C2615 H2615 . . .971(6) ?
C2616 H2616 . . .966(6) ?
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
Au1 C113 3.201(6) . . ?
Au1 C122 3.196(6) . . ?
Au1 C11 3.897(5) . '4 545' ?
Au1 C1222 3.528(6) . '4 545' ?
Au1 C1223 3.955(7) . '4 545' ?
Au1 C1413 3.958(6) . '3 655' ?
Au1 C2514 3.978(6) . '3 666' ?
Au1 C2515 3.646(7) . '3 666' ?
Au1 H11a 3.7772(3) . '4 545' ?
Au1 H11b 3.1682(3) . '4 545' ?
Au1 H1222 3.1868(2) . '4 545' ?
Au1 H1413 3.2097(3) . '3 655' ?
Au1 H1423 3.5196(3) . . ?
Au1 H1513 3.7015(2) . . ?
Au1 H2514 3.5769(3) . '3 666' ?
Au1 H2515 2.9423(3) . '3 666' ?
Au1 H2613 3.4583(3) . '3 666' ?
Cu11 C112 3.066(5) . . ?
Cu11 C1111 3.498(5) . . ?
Cu11 C1112 3.644(6) . . ?
Cu11 C1121 3.479(5) . . ?
Cu11 C11 3.430(5) . . ?
Cu11 P12 3.6565(15) . . ?
Cu11 P15 3.6811(13) . . ?
Cu11 C15 3.423(5) . . ?
Cu11 C1611 3.513(6) . . ?
Cu11 C1616 3.647(6) . . ?
Cu11 C1621 3.576(5) . . ?
Cu11 H1112 3.0881(7) . . ?
Cu11 H1122 3.2992(6) . . ?
Cu11 H1616 3.0587(7) . . ?
Cu12 C112 3.073(6) . . ?
Cu12 P11 3.6524(14) . . ?
Cu12 C11 3.381(5) . . ?
Cu12 C1211 3.491(5) . . ?
Cu12 C1216 3.652(6) . . ?
Cu12 C1221 3.485(5) . . ?
Cu12 C1311 3.573(6) . . ?
Cu12 C1321 3.414(5) . . ?
Cu12 C1322 3.656(5) . . ?
Cu12 C13 3.395(5) . . ?
Cu12 P14 3.7028(14) . . ?
Cu12 H1216 3.0800(7) . . ?
Cu12 H1312 3.2777(7) . . ?
Cu12 H1322 3.2213(6) . . ?
Cu13 C112 2.943(5) . . ?
Cu13 P13 3.5721(15) . . ?
Cu13 C13 3.361(5) . . ?
Cu13 C1411 3.533(6) . . ?
Cu13 C1416 3.668(7) . . ?
Cu13 C1421 3.465(5) . . ?
Cu13 C1511 3.422(5) . . ?
Cu13 C1512 3.473(6) . . ?
Cu13 C1521 3.436(5) . . ?
Cu13 C15 3.431(5) . . ?
Cu13 P16 3.6470(15) . . ?
Cu13 H1416 3.0873(7) . . ?
Cu13 H1512 2.8586(7) . . ?
Au2 C1515 3.778(7) . '3 666' ?
Au2 C213 3.194(6) . . ?
Au2 C222 3.193(7) . . ?
Au2 C2126 3.928(6) . '4 565' ?
Au2 C21 3.732(5) . '4 565' ?
Au2 C2222 3.870(6) . '4 565' ?
Au2 C2413 4.083(6) . '3 777' ?
Au2 C2423 3.986(7) . . ?
Au2 H1515 3.0402(3) . '3 666' ?
Au2 H1613 3.7677(3) . '3 666' ?
Au2 H2126 3.4120(3) . '4 565' ?
Au2 H21a 2.9528(3) . '4 565' ?
Au2 H21b 3.6389(3) . '4 565' ?
Au2 H2212 3.6334(3) . '4 565' ?
Au2 H2222 3.4406(3) . '4 565' ?
Au2 H2413 3.3112(3) . '3 777' ?
Au2 H2423 3.1317(3) . . ?
I2 H2214 3.1845(4) . '4 564' ?
Cu21 C212 3.064(5) . . ?
Cu21 C2111 3.481(5) . . ?
Cu21 C2112 3.606(6) . . ?
Cu21 C2121 3.540(5) . . ?
Cu21 C21 3.405(5) . . ?
Cu21 P22 3.7029(15) . . ?
Cu21 P25 3.6538(14) . . ?
Cu21 C25 3.421(5) . . ?
Cu21 C2621 3.549(5) . . ?
Cu21 C2611 3.493(6) . . ?
Cu21 H2112 3.0145(7) . . ?
Cu21 H2622 3.2308(6) . . ?
Cu21 H2616 3.2422(7) . . ?
Cu22 C212 3.027(6) . . ?
Cu22 P21 3.6575(15) . . ?
Cu22 C21 3.370(5) . . ?
Cu22 C2211 3.511(5) . . ?
Cu22 C2216 3.669(6) . . ?
Cu22 C2221 3.515(5) . . ?
Cu22 C2311 3.528(7) . . ?
Cu22 C2321 3.458(5) . . ?
Cu22 C23 3.385(5) . . ?
Cu22 P24 3.6733(15) . . ?
Cu22 H2216 3.1026(7) . . ?
Cu22 H2312 3.2305(8) . . ?
Cu22 H2322 3.3416(6) . . ?
Cu23 C212 2.958(6) . . ?
Cu23 P23 3.5841(16) . . ?
Cu23 C23 3.418(5) . . ?
Cu23 C2411 3.505(6) . . ?
Cu23 C2416 3.610(7) . . ?
Cu23 C2421 3.470(5) . . ?
Cu23 C2511 3.420(6) . . ?
Cu23 C2512 3.513(7) . . ?
Cu23 C2521 3.505(5) . . ?
Cu23 C25 3.430(5) . . ?
Cu23 P26 3.6855(15) . . ?
Cu23 H2416 3.0086(7) . . ?
Cu23 H2512 2.9089(8) . . ?
C111 C113 2.575(8) . . ?
C112 C114 2.617(8) . . ?
C121 C123 2.569(8) . . ?
C122 C124 2.555(9) . . ?
C123 H124 2.168(6) . . ?
P11 C1112 2.751(7) . . ?
P11 C1116 2.839(5) . . ?
P11 C1122 2.775(5) . . ?
P11 C1126 2.845(6) . . ?
P11 P12 3.009(2) . . ?
P11 H11a 2.3394(16) . . ?
P11 H11b 2.3398(14) . . ?
C1111 C1113 2.410(9) . . ?
C1111 C1114 2.780(9) . . ?
C1111 C1115 2.411(8) . . ?
C1111 C1121 2.855(7) . . ?
C1111 C11 2.911(8) . . ?
C1111 H1112 2.042(5) . . ?
C1111 H1116 2.065(5) . . ?
C1111 H1126 2.598(5) . . ?
C1112 C1114 2.401(8) . . ?
C1112 C1115 2.761(8) . . ?
C1112 C1116 2.410(8) . . ?
C1112 H1113 2.043(6) . . ?
C1113 C1115 2.381(9) . . ?
C1113 C1116 2.773(9) . . ?
C1113 H1112 2.041(6) . . ?
C1113 H1114 2.056(6) . . ?
C1114 C1116 2.388(10) . . ?
C1114 H1113 2.054(7) . . ?
C1114 H1115 2.022(7) . . ?
C1115 H1114 2.024(7) . . ?
C1115 H1116 2.051(7) . . ?
C1116 H1115 2.037(5) . . ?
C1116 H1126 2.656(5) . . ?
C1121 C1123 2.400(7) . . ?
C1121 C1124 2.793(7) . . ?
C1121 C1125 2.410(7) . . ?
C1121 C11 2.867(7) . . ?
C1121 H1122 2.034(5) . . ?
C1121 H1126 2.047(5) . . ?
C1122 C1124 2.401(8) . . ?
C1122 C1125 2.741(8) . . ?
C1122 C1126 2.386(9) . . ?
C1122 H1123 2.036(5) . . ?
C1123 C1125 2.355(9) . . ?
C1123 C1126 2.743(9) . . ?
C1123 H1122 2.042(6) . . ?
C1123 H1124 2.047(6) . . ?
C1124 C1126 2.385(8) . . ?
C1124 H1123 2.053(6) . . ?
C1124 H1125 2.001(6) . . ?
C1125 H1124 2.016(6) . . ?
C1125 H1126 2.049(6) . . ?
C1126 H1125 2.048(5) . . ?
C11 C1211 2.874(7) . . ?
C11 C1221 2.893(8) . . ?
P12 C1212 2.821(5) . . ?
P12 C1216 2.774(6) . . ?
P12 C1222 2.828(7) . . ?
P12 C1226 2.779(6) . . ?
P12 H11a 2.3405(12) . . ?
P12 H11b 2.3412(12) . . ?
C1211 C1213 2.408(7) . . ?
C1211 C1214 2.773(8) . . ?
C1211 C1215 2.409(8) . . ?
C1211 C1221 2.865(9) . . ?
C1211 H1212 2.055(5) . . ?
C1211 H1216 2.027(5) . . ?
C1212 C1214 2.392(9) . . ?
C1212 C1215 2.781(9) . . ?
C1212 C1216 2.406(8) . . ?
C1212 H1213 2.042(5) . . ?
C1213 C1215 2.404(9) . . ?
C1213 C1216 2.766(7) . . ?
C1213 H1212 2.045(7) . . ?
C1213 H1214 2.051(7) . . ?
C1214 C1216 2.391(8) . . ?
C1214 H1213 2.051(6) . . ?
C1214 H1215 2.048(6) . . ?
C1215 H1214 2.038(6) . . ?
C1215 H1216 2.041(6) . . ?
C1216 H1215 2.047(6) . . ?
C1221 C1223 2.407(9) . . ?
C1221 C1224 2.784(10) . . ?
C1221 C1225 2.409(8) . . ?
C1221 H1222 2.048(5) . . ?
C1221 H1226 2.072(5) . . ?
C1222 C1224 2.410(9) . . ?
C1222 C1225 2.778(8) . . ?
C1222 C1226 2.413(8) . . ?
C1222 H1223 2.062(7) . . ?
C1223 C1225 2.383(8) . . ?
C1223 C1226 2.767(9) . . ?
C1223 H1222 2.060(7) . . ?
C1223 H1224 2.034(7) . . ?
C1224 C1226 2.405(10) . . ?
C1224 H1223 2.017(6) . . ?
C1224 H1225 2.039(6) . . ?
C1225 H1224 2.043(7) . . ?
C1225 H1226 2.043(7) . . ?
C1226 H1225 2.042(6) . . ?
P13 C1312 2.758(7) . . ?
P13 C1316 2.842(7) . . ?
P13 C1322 2.763(6) . . ?
P13 C1326 2.837(5) . . ?
P13 P14 3.0204(19) . . ?
P13 H13a 2.3401(13) . . ?
P13 H13b 2.3408(15) . . ?
C1311 C1313 2.404(10) . . ?
C1311 C1314 2.769(10) . . ?
C1311 C1315 2.404(10) . . ?
C1311 C1321 2.878(8) . . ?
C1311 C13 2.930(9) . . ?
C1311 H1312 2.034(5) . . ?
C1311 H1316 2.059(5) . . ?
C1311 H1326 2.604(5) . . ?
C1312 C1314 2.390(10) . . ?
C1312 C1315 2.754(9) . . ?
C1312 C1316 2.400(8) . . ?
C1312 H1313 2.043(7) . . ?
C1313 C1315 2.385(9) . . ?
C1313 C1316 2.765(9) . . ?
C1313 H1312 2.047(8) . . ?
C1313 H1314 2.051(7) . . ?
C1314 C1316 2.372(10) . . ?
C1314 H1313 2.045(7) . . ?
C1314 H1315 2.015(7) . . ?
C1315 H1314 2.012(8) . . ?
C1315 H1316 2.041(8) . . ?
C1316 H1315 2.038(7) . . ?
C1321 C1323 2.408(9) . . ?
C1321 C1324 2.761(8) . . ?
C1321 C1325 2.392(8) . . ?
C1321 C13 2.816(7) . . ?
C1321 H1322 2.050(6) . . ?
C1321 H1326 2.056(6) . . ?
C1322 C1324 2.374(8) . . ?
C1322 C1325 2.745(9) . . ?
C1322 C1326 2.390(10) . . ?
C1322 H1323 2.050(6) . . ?
C1323 C1325 2.391(11) . . ?
C1323 C1326 2.774(10) . . ?
C1323 H1322 2.037(6) . . ?
C1323 H1324 2.045(7) . . ?
C1324 C1326 2.388(9) . . ?
C1324 H1323 2.038(8) . . ?
C1324 H1325 2.037(8) . . ?
C1325 H1324 2.019(7) . . ?
C1325 H1326 2.068(7) . . ?
C1326 H1325 2.048(5) . . ?
C13 C1411 2.877(7) . . ?
C13 C1421 2.841(7) . . ?
P14 C1412 2.831(7) . . ?
P14 C1416 2.759(7) . . ?
P14 C1422 2.807(7) . . ?
P14 C1426 2.809(6) . . ?
P14 H13a 2.3327(13) . . ?
P14 H13b 2.3305(13) . . ?
C1411 C1413 2.410(9) . . ?
C1411 C1414 2.773(11) . . ?
C1411 C1415 2.416(10) . . ?
C1411 C1421 2.893(9) . . ?
C1411 H1412 2.066(5) . . ?
C1411 H1416 2.059(5) . . ?
C1412 C1414 2.388(11) . . ?
C1412 C1415 2.786(9) . . ?
C1412 C1416 2.419(8) . . ?
C1412 H1413 2.032(7) . . ?
C1413 C1415 2.401(9) . . ?
C1413 C1416 2.775(9) . . ?
C1413 H1412 2.052(8) . . ?
C1413 H1414 2.042(8) . . ?
C1414 C1416 2.403(11) . . ?
C1414 H1413 2.024(7) . . ?
C1414 H1415 2.052(7) . . ?
C1415 H1414 2.056(8) . . ?
C1415 H1416 2.052(8) . . ?
C1416 H1415 2.065(7) . . ?
C1421 C1423 2.413(10) . . ?
C1421 C1424 2.775(10) . . ?
C1421 C1425 2.393(8) . . ?
C1421 H1422 2.030(6) . . ?
C1421 H1426 2.073(5) . . ?
C1422 C1424 2.376(9) . . ?
C1422 C1425 2.727(8) . . ?
C1422 C1426 2.384(9) . . ?
C1422 H1423 2.068(7) . . ?
C1423 C1425 2.371(10) . . ?
C1423 C1426 2.775(11) . . ?
C1423 H1422 2.044(7) . . ?
C1423 H1424 2.037(7) . . ?
C1424 C1426 2.400(12) . . ?
C1424 H1423 2.053(7) . . ?
C1424 H1425 2.012(8) . . ?
C1425 H1424 2.022(9) . . ?
C1425 H1426 2.066(9) . . ?
C1426 H1425 2.046(6) . . ?
P15 C1512 2.745(6) . . ?
P15 C1516 2.833(6) . . ?
P15 C1522 2.768(7) . . ?
P15 C1526 2.827(6) . . ?
P15 P16 2.9958(19) . . ?
P15 H15a 2.3322(12) . . ?
P15 H15b 2.3334(13) . . ?
C1511 C1513 2.409(8) . . ?
C1511 C1514 2.771(9) . . ?
C1511 C1515 2.401(9) . . ?
C1511 C1521 2.922(8) . . ?
C1511 C15 2.907(7) . . ?
C1511 H1512 2.046(5) . . ?
C1511 H1516 2.054(5) . . ?
C1512 C1514 2.387(8) . . ?
C1512 C1515 2.756(8) . . ?
C1512 C1516 2.401(7) . . ?
C1512 H1513 2.040(6) . . ?
C1513 C1515 2.389(8) . . ?
C1513 C1516 2.782(8) . . ?
C1513 H1512 2.037(6) . . ?
C1513 H1514 2.037(6) . . ?
C1514 C1516 2.405(9) . . ?
C1514 H1513 2.043(5) . . ?
C1514 H1515 2.038(5) . . ?
C1515 H1514 2.042(7) . . ?
C1515 H1516 2.062(7) . . ?
C1516 H1515 2.041(6) . . ?
C1521 C1523 2.415(9) . . ?
C1521 C1524 2.785(9) . . ?
C1521 C1525 2.405(8) . . ?
C1521 C15 2.823(8) . . ?
C1521 H1522 2.010(5) . . ?
C1521 H1526 2.050(5) . . ?
C1522 C1524 2.377(8) . . ?
C1522 C1525 2.729(8) . . ?
C1522 C1526 2.372(8) . . ?
C1522 H1523 2.057(6) . . ?
C1523 C1525 2.376(8) . . ?
C1523 C1526 2.772(9) . . ?
C1523 H1522 2.040(6) . . ?
C1523 H1524 2.048(6) . . ?
C1524 C1526 2.407(10) . . ?
C1524 H1523 2.051(6) . . ?
C1524 H1525 2.031(6) . . ?
C1525 H1524 2.033(7) . . ?
C1525 H1526 2.065(7) . . ?
C1526 H1525 2.041(6) . . ?
C15 C1611 2.882(8) . . ?
C15 C1621 2.867(7) . . ?
C15 H1622 2.607(5) . . ?
P16 C1612 2.795(7) . . ?
P16 C1616 2.774(6) . . ?
P16 C1622 2.836(6) . . ?
P16 C1626 2.750(6) . . ?
P16 H15a 2.3418(15) . . ?
P16 H15b 2.3410(13) . . ?
C1611 C1613 2.403(9) . . ?
C1611 C1614 2.760(10) . . ?
C1611 C1615 2.396(9) . . ?
C1611 C1621 2.771(7) . . ?
C1611 H1612 2.057(5) . . ?
C1611 H1616 2.030(5) . . ?
C1612 C1614 2.388(9) . . ?
C1612 C1615 2.766(8) . . ?
C1612 C1616 2.385(7) . . ?
C1612 H1613 2.058(7) . . ?
C1613 C1615 2.400(8) . . ?
C1613 C1616 2.765(8) . . ?
C1613 H1612 2.056(7) . . ?
C1613 H1614 2.040(7) . . ?
C1614 C1616 2.387(9) . . ?
C1614 H1613 2.033(6) . . ?
C1614 H1615 2.044(6) . . ?
C1615 H1614 2.025(7) . . ?
C1615 H1616 2.047(7) . . ?
C1616 H1615 2.055(6) . . ?
C1621 C1623 2.411(8) . . ?
C1621 C1624 2.763(8) . . ?
C1621 C1625 2.409(9) . . ?
C1621 H1622 2.028(5) . . ?
C1621 H1626 2.039(5) . . ?
C1622 C1624 2.385(9) . . ?
C1622 C1625 2.743(10) . . ?
C1622 C1626 2.362(9) . . ?
C1622 H1623 2.077(6) . . ?
C1623 C1625 2.357(11) . . ?
C1623 C1626 2.740(9) . . ?
C1623 H1622 2.077(7) . . ?
C1623 H1624 2.031(7) . . ?
C1624 C1626 2.360(8) . . ?
C1624 H1623 2.035(8) . . ?
C1624 H1625 2.033(7) . . ?
C1625 H1624 2.002(7) . . ?
C1625 H1626 2.050(7) . . ?
C1626 H1625 2.046(6) . . ?
C211 C213 2.585(9) . . ?
C212 C214 2.625(8) . . ?
C213 H2422 2.694(6) . . ?
C221 C223 2.604(9) . . ?
C222 C224 2.563(11) . . ?
C222 H2315 2.565(6) . '3 777' ?
C223 H224 2.151(7) . . ?
C223 H2315 2.609(7) . '3 777' ?
P21 C2112 2.789(7) . . ?
P21 C2116 2.812(6) . . ?
P21 C2122 2.770(6) . . ?
P21 C2126 2.842(6) . . ?
P21 P22 3.022(2) . . ?
P21 H21a 2.3261(14) . . ?
P21 H21b 2.3251(16) . . ?
C2111 C2113 2.400(9) . . ?
C2111 C2114 2.785(9) . . ?
C2111 C2115 2.407(8) . . ?
C2111 C2121 2.813(8) . . ?
C2111 C21 2.907(9) . . ?
C2111 H2112 2.036(5) . . ?
C2111 H2116 2.051(5) . . ?
C2112 C2114 2.408(8) . . ?
C2112 C2115 2.763(8) . . ?
C2112 C2116 2.409(8) . . ?
C2112 H2113 2.050(7) . . ?
C2113 C2115 2.375(9) . . ?
C2113 C2116 2.762(9) . . ?
C2113 H2112 2.041(7) . . ?
C2113 H2114 2.059(7) . . ?
C2114 C2116 2.393(9) . . ?
C2114 H2113 2.044(6) . . ?
C2114 H2115 2.024(6) . . ?
C2115 H2114 2.021(7) . . ?
C2115 H2116 2.051(7) . . ?
C2116 H2115 2.026(6) . . ?
C2121 C2123 2.425(8) . . ?
C2121 C2124 2.787(7) . . ?
C2121 C2125 2.412(8) . . ?
C2121 C21 2.828(7) . . ?
C2121 H2122 2.046(6) . . ?
C2121 H2126 2.054(6) . . ?
C2122 C2124 2.387(8) . . ?
C2122 C2125 2.755(9) . . ?
C2122 C2126 2.393(9) . . ?
C2122 H2123 2.056(5) . . ?
C2123 C2125 2.382(10) . . ?
C2123 C2126 2.764(9) . . ?
C2123 H2122 2.047(6) . . ?
C2123 H2124 2.035(6) . . ?
C2124 C2126 2.389(8) . . ?
C2124 H2123 2.043(7) . . ?
C2124 H2125 2.039(7) . . ?
C2125 H2124 2.037(6) . . ?
C2125 H2126 2.041(6) . . ?
C2126 H2125 2.052(5) . . ?
C21 C2211 2.861(7) . . ?
C21 C2221 2.859(8) . . ?
C21 H2126 2.625(5) . . ?
C21 H2222 2.677(6) . . ?
P22 C2212 2.809(6) . . ?
P22 C2216 2.791(7) . . ?
P22 C2222 2.850(7) . . ?
P22 C2226 2.780(6) . . ?
P22 H21a 2.3305(13) . . ?
P22 H21b 2.3304(13) . . ?
C2211 C2213 2.405(8) . . ?
C2211 C2214 2.766(9) . . ?
C2211 C2215 2.399(9) . . ?
C2211 C2221 2.868(9) . . ?
C2211 H2212 2.060(5) . . ?
C2211 H2216 2.043(5) . . ?
C2212 C2214 2.375(10) . . ?
C2212 C2215 2.762(10) . . ?
C2212 C2216 2.401(9) . . ?
C2212 H2213 2.030(6) . . ?
C2213 C2215 2.391(10) . . ?
C2213 C2216 2.767(8) . . ?
C2213 H2212 2.049(7) . . ?
C2213 H2214 2.027(7) . . ?
C2214 C2216 2.397(9) . . ?
C2214 H2213 2.033(7) . . ?
C2214 H2215 2.046(7) . . ?
C2215 H2214 2.051(7) . . ?
C2215 H2216 2.043(7) . . ?
C2216 H2215 2.040(7) . . ?
C2221 C2223 2.413(10) . . ?
C2221 C2224 2.764(10) . . ?
C2221 C2225 2.403(8) . . ?
C2221 H2222 2.048(5) . . ?
C2221 H2226 2.048(5) . . ?
C2222 C2224 2.380(9) . . ?
C2222 C2225 2.771(8) . . ?
C2222 C2226 2.401(8) . . ?
C2222 H2223 2.051(7) . . ?
C2223 C2225 2.425(9) . . ?
C2223 C2226 2.778(9) . . ?
C2223 H2222 2.036(7) . . ?
C2223 H2224 2.052(7) . . ?
C2224 C2226 2.378(11) . . ?
C2224 H2223 2.041(6) . . ?
C2224 H2225 2.053(7) . . ?
C2225 H2224 2.037(8) . . ?
C2225 H2226 2.034(8) . . ?
C2226 H2225 2.033(6) . . ?
P23 C2312 2.748(8) . . ?
P23 C2316 2.818(9) . . ?
P23 C2322 2.767(6) . . ?
P23 C2326 2.841(6) . . ?
P23 P24 3.009(2) . . ?
P23 H23a 2.3426(17) . . ?
P23 H23b 2.3419(14) . . ?
C2311 C2313 2.413(12) . . ?
C2311 C2314 2.769(13) . . ?
C2311 C2315 2.418(12) . . ?
C2311 C2321 2.843(9) . . ?
C2311 C23 2.911(10) . . ?
C2311 H2312 2.038(6) . . ?
C2311 H2316 2.061(6) . . ?
C2311 H2326 2.573(6) . . ?
C2312 C2314 2.385(13) . . ?
C2312 C2315 2.766(11) . . ?
C2312 C2316 2.384(10) . . ?
C2312 H2313 2.042(8) . . ?
C2313 C2315 2.400(12) . . ?
C2313 C2316 2.757(12) . . ?
C2313 H2312 2.046(9) . . ?
C2313 H2314 2.041(9) . . ?
C2314 C2316 2.363(15) . . ?
C2314 H2313 2.061(9) . . ?
C2314 H2315 2.037(9) . . ?
C2315 H2314 2.024(12) . . ?
C2315 H2316 2.066(12) . . ?
C2316 H2315 2.052(9) . . ?
C2321 C2323 2.409(9) . . ?
C2321 C2324 2.785(9) . . ?
C2321 C2325 2.414(9) . . ?
C2321 C23 2.858(8) . . ?
C2321 H2322 2.040(7) . . ?
C2321 H2326 2.067(7) . . ?
C2322 C2324 2.393(9) . . ?
C2322 C2325 2.747(10) . . ?
C2322 C2326 2.397(11) . . ?
C2322 H2323 2.050(6) . . ?
C2323 C2325 2.373(12) . . ?
C2323 C2326 2.778(11) . . ?
C2323 H2322 2.049(7) . . ?
C2323 H2324 2.045(7) . . ?
C2324 C2326 2.408(10) . . ?
C2324 H2323 2.046(8) . . ?
C2324 H2325 2.031(9) . . ?
C2325 H2324 2.015(8) . . ?
C2325 H2326 2.089(7) . . ?
C2326 H2325 2.054(6) . . ?
C23 C2411 2.895(8) . . ?
C23 C2421 2.860(8) . . ?
P24 C2412 2.832(7) . . ?
P24 C2416 2.747(7) . . ?
P24 C2422 2.798(7) . . ?
P24 C2426 2.840(6) . . ?
P24 H23a 2.3472(14) . . ?
P24 H23b 2.3479(14) . . ?
C2411 C2413 2.411(9) . . ?
C2411 C2414 2.762(11) . . ?
C2411 C2415 2.416(10) . . ?
C2411 C2421 2.900(10) . . ?
C2411 H2412 2.060(5) . . ?
C2411 H2416 2.036(5) . . ?
C2411 H2426 2.691(6) . . ?
C2412 C2414 2.385(11) . . ?
C2412 C2415 2.797(10) . . ?
C2412 C2416 2.402(8) . . ?
C2412 H2413 2.037(7) . . ?
C2412 H2426 2.670(7) . . ?
C2413 C2415 2.420(9) . . ?
C2413 C2416 2.768(9) . . ?
C2413 H2412 2.051(8) . . ?
C2413 H2414 2.039(8) . . ?
C2414 C2416 2.389(10) . . ?
C2414 H2413 2.040(7) . . ?
C2414 H2415 2.076(7) . . ?
C2415 H2414 2.048(8) . . ?
C2415 H2416 2.045(8) . . ?
C2416 H2415 2.073(7) . . ?
C2421 C2423 2.422(10) . . ?
C2421 C2424 2.781(9) . . ?
C2421 C2425 2.407(8) . . ?
C2421 H2422 2.043(6) . . ?
C2421 H2426 2.055(5) . . ?
C2422 C2424 2.383(8) . . ?
C2422 C2425 2.747(8) . . ?
C2422 C2426 2.387(8) . . ?
C2422 H2423 2.055(7) . . ?
C2423 C2425 2.388(9) . . ?
C2423 C2426 2.776(9) . . ?
C2423 H2422 2.040(6) . . ?
C2423 H2424 2.032(6) . . ?
C2424 C2426 2.397(10) . . ?
C2424 H2423 2.046(6) . . ?
C2424 H2425 2.031(6) . . ?
C2425 H2424 2.028(7) . . ?
C2425 H2426 2.052(7) . . ?
C2426 H2425 2.049(6) . . ?
P25 C2512 2.756(7) . . ?
P25 C2516 2.825(6) . . ?
P25 C2522 2.841(7) . . ?
P25 C2526 2.791(6) . . ?
P25 P26 3.0416(18) . . ?
P25 H25a 2.3389(13) . . ?
P25 H25b 2.3380(13) . . ?
C2511 C2513 2.406(9) . . ?
C2511 C2514 2.777(10) . . ?
C2511 C2515 2.400(9) . . ?
C2511 C2521 2.868(9) . . ?
C2511 C25 2.838(7) . . ?
C2511 H2512 2.039(5) . . ?
C2511 H2516 2.066(5) . . ?
C2512 C2514 2.386(9) . . ?
C2512 C2515 2.751(8) . . ?
C2512 C2516 2.401(7) . . ?
C2512 H2513 2.038(7) . . ?
C2513 C2515 2.391(8) . . ?
C2513 C2516 2.770(9) . . ?
C2513 H2512 2.021(7) . . ?
C2513 H2514 2.059(7) . . ?
C2514 C2516 2.388(10) . . ?
C2514 H2513 2.063(6) . . ?
C2514 H2515 2.014(6) . . ?
C2515 H2514 2.040(7) . . ?
C2515 H2516 2.040(7) . . ?
C2516 H2515 2.027(6) . . ?
C2521 C2523 2.413(10) . . ?
C2521 C2524 2.781(9) . . ?
C2521 C2525 2.423(8) . . ?
C2521 C25 2.866(7) . . ?
C2521 H2522 2.051(6) . . ?
C2521 H2526 2.076(6) . . ?
C2522 C2524 2.393(9) . . ?
C2522 C2525 2.765(8) . . ?
C2522 C2526 2.401(9) . . ?
C2522 H2523 2.051(7) . . ?
C2523 C2525 2.381(10) . . ?
C2523 C2526 2.767(10) . . ?
C2523 H2522 2.054(7) . . ?
C2523 H2524 2.047(7) . . ?
C2524 C2526 2.388(11) . . ?
C2524 H2523 2.035(7) . . ?
C2524 H2525 2.026(8) . . ?
C2525 H2524 2.016(8) . . ?
C2525 H2526 2.072(8) . . ?
C2526 H2525 2.057(6) . . ?
C25 C2621 2.768(7) . . ?
C25 C2611 2.963(8) . . ?
P26 C2622 2.789(6) . . ?
P26 C2626 2.845(5) . . ?
P26 C2612 2.861(6) . . ?
P26 C2616 2.753(7) . . ?
P26 H25a 2.3411(13) . . ?
P26 H25b 2.3409(15) . . ?
P26 H2616 2.7986(15) . . ?
C2621 C2623 2.425(8) . . ?
C2621 C2624 2.789(7) . . ?
C2621 C2625 2.405(7) . . ?
C2621 C2611 2.855(8) . . ?
C2621 H2622 2.048(6) . . ?
C2621 H2626 2.061(6) . . ?
C2622 C2624 2.386(8) . . ?
C2622 C2625 2.750(8) . . ?
C2622 C2626 2.392(9) . . ?
C2622 H2623 2.050(5) . . ?
C2623 C2625 2.388(9) . . ?
C2623 C2626 2.771(9) . . ?
C2623 H2622 2.046(5) . . ?
C2623 H2624 2.046(5) . . ?
C2624 C2626 2.397(8) . . ?
C2624 H2623 2.050(7) . . ?
C2624 H2625 2.047(7) . . ?
C2625 H2624 2.042(6) . . ?
C2625 H2626 2.050(6) . . ?
C2626 H2625 2.040(5) . . ?
C2611 C2613 2.410(9) . . ?
C2611 C2614 2.780(10) . . ?
C2611 C2615 2.408(9) . . ?
C2611 H2626 2.664(5) . . ?
C2611 H2612 2.051(5) . . ?
C2611 H2616 2.044(5) . . ?
C2612 C2614 2.395(10) . . ?
C2612 C2615 2.764(8) . . ?
C2612 C2616 2.393(7) . . ?
C2612 H2613 2.052(6) . . ?
C2613 C2615 2.386(8) . . ?
C2613 C2616 2.751(8) . . ?
C2613 H2612 2.044(7) . . ?
C2613 H2614 2.024(7) . . ?
C2614 C2616 2.376(10) . . ?
C2614 H2613 2.040(6) . . ?
C2614 H2615 2.034(6) . . ?
C2615 H2614 2.044(7) . . ?
C2615 H2616 2.030(7) . . ?
C2616 H2615 2.042(7) . . ?
H1112 H1113 2.34465(8) . . ?
H1113 H1114 2.36207(9) . . ?
H1114 H1115 2.32535(7) . . ?
H1115 H1116 2.34066(8) . . ?
H1116 H11b 2.18336(6) . . ?
H1122 H1123 2.34620(9) . . ?
H1123 H1124 2.35372(8) . . ?
H1124 H1125 2.30598(8) . . ?
H1125 H1126 2.35532(9) . . ?
H11a H11b 1.55121(5) . . ?
H11a H1222 2.19920(11) . . ?
H1212 H1213 2.35181(9) . . ?
H1213 H1214 2.36274(8) . . ?
H1214 H1215 2.34002(8) . . ?
H1215 H1216 2.35235(9) . . ?
H1222 H1223 2.36974(11) . . ?
H1223 H1224 2.32527(12) . . ?
H1224 H1225 2.33196(10) . . ?
H1225 H1226 2.34584(10) . . ?
H1312 H1313 2.35717(9) . . ?
H1313 H1314 2.35558(8) . . ?
H1314 H1315 2.29670(7) . . ?
H1315 H1316 2.35307(9) . . ?
H1316 H13a 2.12237(8) . . ?
H1322 H1323 2.35762(7) . . ?
H1323 H1324 2.34353(14) . . ?
H1324 H1325 2.32144(9) . . ?
H1325 H1326 2.36719(7) . . ?
H1325 H2624 2.37348(8) . '4 554' ?
H13a H13b 1.55139(6) . . ?
H13b H1422 2.09854(6) . . ?
H1412 H1413 2.34663(8) . . ?
H1413 H1414 2.33500(10) . . ?
H1414 H1415 2.35002(9) . . ?
H1415 H1416 2.37030(8) . . ?
H1422 H1423 2.35954(7) . . ?
H1423 H1424 2.36238(8) . . ?
H1424 H1425 2.29339(10) . . ?
H1425 H1426 2.37336(7) . . ?
H1512 H1513 2.33532(8) . . ?
H1513 H1514 2.34145(9) . . ?
H1514 H1515 2.35234(9) . . ?
H1515 H1516 2.35040(8) . . ?
H1522 H1523 2.35643(8) . . ?
H1522 H15a 2.18956(8) . . ?
H1523 H1524 2.36628(9) . . ?
H1524 H1525 2.33245(10) . . ?
H1525 H1526 2.35504(8) . . ?
H15a H15b 1.55128(5) . . ?
H15a H1622 2.28821(13) . . ?
H15b H1612 2.34007(9) . . ?
H1612 H1613 2.37619(9) . . ?
H1613 H1614 2.33388(9) . . ?
H1614 H1615 2.33124(11) . . ?
H1615 H1616 2.35718(9) . . ?
H1622 H1623 2.39149(11) . . ?
H1623 H1624 2.34264(6) . . ?
H1624 H1625 2.32010(8) . . ?
H1624 H2323 2.37507(8) . '4 453' ?
H1625 H1626 2.34354(12) . . ?
H224 H2523 2.38785(7) . '1 556' ?
H2112 H2113 2.36419(8) . . ?
H2113 H2114 2.35274(9) . . ?
H2114 H2115 2.32605(8) . . ?
H2115 H2116 2.33409(8) . . ?
H2122 H2123 2.35259(8) . . ?
H2123 H2124 2.34821(9) . . ?
H2124 H2125 2.33070(14) . . ?
H2125 H2126 2.35354(8) . . ?
H2126 H21b 2.09697(8) . . ?
H21a H21b 1.55142(5) . . ?
H21b H2222 2.12843(11) . . ?
H2212 H2213 2.34342(8) . . ?
H2212 H2413 2.33896(8) . '2 746' ?
H2213 H2214 2.33051(9) . . ?
H2214 H2215 2.35766(9) . . ?
H2215 H2216 2.34169(8) . . ?
H2222 H2223 2.36678(11) . . ?
H2223 H2224 2.34292(12) . . ?
H2224 H2225 2.34187(11) . . ?
H2225 H2226 2.34039(11) . . ?
H2312 H2313 2.34572(9) . . ?
H2313 H2314 2.36350(8) . . ?
H2314 H2315 2.33144(8) . . ?
H2315 H2316 2.37622(9) . . ?
H2316 H23b 2.14164(8) . . ?
H2322 H2323 2.36429(7) . . ?
H2323 H2324 2.34198(13) . . ?
H2324 H2325 2.33564(8) . . ?
H2325 H2326 2.36699(7) . . ?
H23a H23b 1.55156(5) . . ?
H23a H2422 2.32605(10) . . ?
H2412 H2413 2.35152(7) . . ?
H2413 H2414 2.34505(10) . . ?
H2414 H2415 2.36781(9) . . ?
H2415 H2416 2.36104(7) . . ?
H2422 H2423 2.35014(7) . . ?
H2423 H2424 2.34374(9) . . ?
H2424 H2425 2.32765(9) . . ?
H2425 H2426 2.35125(8) . . ?
H2512 H2513 2.33073(8) . . ?
H2513 H2514 2.37366(9) . . ?
H2514 H2515 2.31985(9) . . ?
H2515 H2516 2.33695(8) . . ?
H2522 H2523 2.36269(7) . . ?
H2522 H25b 2.14284(6) . . ?
H2523 H2524 2.34570(7) . . ?
H2524 H2525 2.30945(11) . . ?
H2525 H2526 2.37360(7) . . ?
H25a H25b 1.55131(6) . . ?
H25a H2612 2.18651(8) . . ?
H2622 H2623 2.35326(9) . . ?
H2623 H2624 2.35915(15) . . ?
H2624 H2625 2.34763(8) . . ?
H2625 H2626 2.34126(9) . . ?
H2612 H2613 2.35531(9) . . ?
H2613 H2614 2.31921(7) . . ?
H2614 H2615 2.34669(8) . . ?
H2615 H2616 2.34599(9) . . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
? ? ? ? ? ? ? ? ? ?
