#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/10/7011035.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_7011035
loop_
_publ_author_name
'Jacqueline Hamblin'
'Laura J. Childs'
'Nathaniel W. Alcock'
'Michael J. Hannon'
_publ_section_title
;
 Directed one-pot syntheses of enantiopure dinuclear silver(I) and
 copper(I) metallo-supramolecular double helicates
;
_journal_issue                   2
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              164
_journal_page_last               169
_journal_paper_doi               10.1039/b106987j
_journal_year                    2002
_chemical_formula_sum            'C65.5 H48.5 Ag2 F12 N9.5 O3 P2'
_chemical_formula_weight         1522.32
_chemical_name_systematic
;
?
;
_space_group_IT_number           144
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 31'
_symmetry_space_group_name_H-M   'P 31'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   14.38840(10)
_cell_length_b                   14.38840(10)
_cell_length_c                   27.22160(10)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      20
_cell_measurement_theta_min      3
_cell_volume                     4880.56(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.934
_diffrn_measured_fraction_theta_max 0.934
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal focus'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0266
_diffrn_reflns_av_sigmaI/netI    0.0535
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            31885
_diffrn_reflns_theta_full        29.14
_diffrn_reflns_theta_max         29.14
_diffrn_reflns_theta_min         1.50
_exptl_absorpt_coefficient_mu    0.739
_exptl_absorpt_correction_T_max  0.93
_exptl_absorpt_correction_T_min  0.50
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.554
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             2292
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.506
_refine_diff_density_min         -0.402
_refine_diff_density_rms         0.065
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.010(14)
_refine_ls_extinction_coef       0.00066(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.958
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     869
_refine_ls_number_reflns         15472
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.958
_refine_ls_R_factor_all          0.0593
_refine_ls_R_factor_gt           0.0370
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0440P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0749
_refine_ls_wR_factor_ref         0.0820
_reflns_number_gt                11836
_reflns_number_total             15472
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b106987j.txt
_cod_data_source_block           b2ac
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        4880.55(5)
_cod_original_sg_symbol_H-M      P3(1)
_cod_original_formula_sum        'C65.50 H48.50 Ag2 F12 N9.50 O3 P2'
_cod_database_code               7011035
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z+1/3'
'-x+y, -x, z+2/3'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.64432(2) 0.97548(2) 0.774489(9) 0.03782(8) Uani 1 1 d . . .
Ag2 Ag 0.82705(2) 1.20858(2) 0.692636(10) 0.03992(8) Uani 1 1 d . . .
N11 N 0.9923(3) 1.2724(3) 0.65013(11) 0.0390(7) Uani 1 1 d . . .
C12 C 1.0695(3) 1.3719(3) 0.64055(16) 0.0479(10) Uani 1 1 d . . .
H12A H 1.0620 1.4298 0.6527 0.058 Uiso 1 1 calc R . .
C13 C 1.1603(3) 1.3955(3) 0.61360(15) 0.0486(10) Uani 1 1 d . . .
H13A H 1.2130 1.4679 0.6071 0.058 Uiso 1 1 calc R . .
C14 C 1.1735(3) 1.3139(4) 0.59647(15) 0.0474(10) Uani 1 1 d . . .
H14A H 1.2356 1.3284 0.5783 0.057 Uiso 1 1 calc R . .
C15 C 1.0943(3) 1.2096(3) 0.60620(14) 0.0423(9) Uani 1 1 d . . .
H15A H 1.1010 1.1509 0.5947 0.051 Uiso 1 1 calc R . .
C16 C 1.0048(3) 1.1919(3) 0.63305(12) 0.0333(8) Uani 1 1 d . . .
C17 C 0.9185(3) 1.0820(3) 0.64167(13) 0.0346(8) Uani 1 1 d . . .
H17A H 0.9278 1.0242 0.6311 0.041 Uiso 1 1 calc R . .
N18 N 0.8310(2) 1.0608(2) 0.66303(10) 0.0323(7) Uani 1 1 d . . .
C19 C 0.7500(3) 0.9516(3) 0.67003(12) 0.0328(8) Uani 1 1 d . . .
N21 N 0.8048(3) 1.3562(3) 0.66160(11) 0.0418(8) Uani 1 1 d . . .
C22 C 0.8293(4) 1.4069(4) 0.61836(15) 0.0543(11) Uani 1 1 d . . .
H22A H 0.8614 1.3848 0.5939 0.065 Uiso 1 1 calc R . .
C23 C 0.8106(4) 1.4892(4) 0.60750(16) 0.0604(13) Uani 1 1 d . . .
H23A H 0.8307 1.5245 0.5766 0.072 Uiso 1 1 calc R . .
C24 C 0.7620(5) 1.5194(4) 0.64236(17) 0.0661(14) Uani 1 1 d . . .
H24A H 0.7455 1.5743 0.6355 0.079 Uiso 1 1 calc R . .
C25 C 0.7378(4) 1.4697(4) 0.68678(15) 0.0513(11) Uani 1 1 d . . .
H25A H 0.7060 1.4909 0.7117 0.062 Uiso 1 1 calc R . .
C26 C 0.7598(3) 1.3881(3) 0.69538(13) 0.0361(8) Uani 1 1 d . . .
C27 C 0.7357(3) 1.3349(3) 0.74337(12) 0.0322(8) Uani 1 1 d . . .
H27A H 0.7013 1.3550 0.7675 0.039 Uiso 1 1 calc R . .
N28 N 0.7591(2) 1.2630(2) 0.75409(10) 0.0312(6) Uani 1 1 d . . .
C29 C 0.7357(3) 1.2187(3) 0.80206(12) 0.0305(7) Uani 1 1 d . . .
C110 C 0.7799(3) 0.8757(3) 0.68395(13) 0.0397(9) Uani 1 1 d . . .
H11A H 0.8534 0.8976 0.6889 0.048 Uiso 1 1 calc R . .
C111 C 0.7031(4) 0.7706(3) 0.69025(14) 0.0476(11) Uani 1 1 d . . .
H11B H 0.7236 0.7198 0.6996 0.057 Uiso 1 1 calc R . .
C112 C 0.5942(4) 0.7369(3) 0.68304(13) 0.0474(11) Uani 1 1 d . . .
C113 C 0.5135(5) 0.6276(4) 0.68910(15) 0.0659(15) Uani 1 1 d . . .
H11C H 0.5335 0.5764 0.6985 0.079 Uiso 1 1 calc R . .
C114 C 0.4100(5) 0.5958(4) 0.68184(19) 0.0787(17) Uani 1 1 d . . .
H11D H 0.3572 0.5223 0.6854 0.094 Uiso 1 1 calc R . .
C115 C 0.3792(4) 0.6711(5) 0.66889(17) 0.0703(16) Uani 1 1 d . . .
H11E H 0.3053 0.6482 0.6646 0.084 Uiso 1 1 calc R . .
C116 C 0.4540(4) 0.7770(4) 0.66238(15) 0.0545(12) Uani 1 1 d . . .
H11F H 0.4319 0.8263 0.6526 0.065 Uiso 1 1 calc R . .
C117 C 0.5630(3) 0.8130(3) 0.66997(13) 0.0395(9) Uani 1 1 d . . .
C118 C 0.6442(3) 0.9241(3) 0.66336(12) 0.0350(8) Uani 1 1 d . . .
N119 N 0.4731(3) 0.9206(3) 0.81623(11) 0.0419(8) Uani 1 1 d . . .
C120 C 0.4380(4) 0.8810(4) 0.86087(15) 0.0566(12) Uani 1 1 d . . .
H12B H 0.4804 0.8608 0.8800 0.068 Uiso 1 1 calc R . .
C121 C 0.3455(4) 0.8674(5) 0.88101(18) 0.0765(16) Uani 1 1 d . . .
H12C H 0.3238 0.8379 0.9130 0.092 Uiso 1 1 calc R . .
C122 C 0.2850(5) 0.8970(6) 0.8543(2) 0.096(2) Uani 1 1 d . . .
H12D H 0.2203 0.8888 0.8676 0.115 Uiso 1 1 calc R . .
C123 C 0.3180(4) 0.9397(5) 0.80735(19) 0.0823(19) Uani 1 1 d . . .
H12E H 0.2778 0.9625 0.7883 0.099 Uiso 1 1 calc R . .
C124 C 0.4113(3) 0.9472(4) 0.78985(14) 0.0474(10) Uani 1 1 d . . .
C125 C 0.4483(3) 0.9886(4) 0.74003(14) 0.0474(10) Uani 1 1 d . . .
H12F H 0.4033 1.0032 0.7198 0.057 Uiso 1 1 calc R . .
N126 N 0.5370(2) 1.0056(2) 0.72286(10) 0.0345(7) Uani 1 1 d . . .
C127 C 0.5668(3) 1.0456(3) 0.67429(12) 0.0343(8) Uani 1 1 d . . .
C128 C 0.5469(3) 1.1269(3) 0.65708(14) 0.0440(9) Uani 1 1 d . . .
H12G H 0.5109 1.1527 0.6774 0.053 Uiso 1 1 calc R . .
C129 C 0.5799(3) 1.1680(4) 0.61086(15) 0.0472(10) Uani 1 1 d . . .
H12H H 0.5688 1.2244 0.5998 0.057 Uiso 1 1 calc R . .
C131 C 0.6633(3) 1.1711(4) 0.53127(14) 0.0521(11) Uani 1 1 d . . .
H13B H 0.6561 1.2300 0.5206 0.062 Uiso 1 1 calc R . .
C132 C 0.7055(4) 1.1271(4) 0.50061(15) 0.0614(13) Uani 1 1 d . . .
H13C H 0.7259 1.1549 0.4683 0.074 Uiso 1 1 calc R . .
C133 C 0.7195(3) 1.0418(4) 0.51561(15) 0.0549(12) Uani 1 1 d . . .
H13D H 0.7479 1.0115 0.4934 0.066 Uiso 1 1 calc R . .
C134 C 0.6921(3) 1.0020(3) 0.56278(14) 0.0424(9) Uani 1 1 d . . .
H13E H 0.7032 0.9451 0.5731 0.051 Uiso 1 1 calc R . .
C135 C 0.6475(3) 1.0454(3) 0.59593(14) 0.0401(9) Uani 1 1 d . . .
C130 C 0.6300(3) 1.1287(3) 0.57930(14) 0.0422(9) Uani 1 1 d . . .
C136 C 0.6186(3) 1.0050(3) 0.64523(13) 0.0336(8) Uani 1 1 d . . .
C210 C 0.6371(3) 1.1948(3) 0.82527(13) 0.0353(8) Uani 1 1 d . . .
H21A H 0.5861 1.2057 0.8079 0.042 Uiso 1 1 calc R . .
C211 C 0.6157(3) 1.1564(3) 0.87219(14) 0.0392(9) Uani 1 1 d . . .
H21B H 0.5481 1.1370 0.8865 0.047 Uiso 1 1 calc R . .
C212 C 0.6929(3) 1.1452(3) 0.89986(13) 0.0401(9) Uani 1 1 d . . .
C213 C 0.6774(4) 1.1150(3) 0.95014(15) 0.0517(11) Uani 1 1 d . . .
H21C H 0.6108 1.0955 0.9654 0.062 Uiso 1 1 calc R . .
C214 C 0.7562(5) 1.1136(4) 0.97661(15) 0.0603(13) Uani 1 1 d . . .
H21D H 0.7450 1.0952 1.0105 0.072 Uiso 1 1 calc R . .
C215 C 0.8546(4) 1.1388(3) 0.95466(15) 0.0537(12) Uani 1 1 d . . .
H21E H 0.9096 1.1383 0.9738 0.064 Uiso 1 1 calc R . .
C216 C 0.8711(3) 1.1642(3) 0.90577(13) 0.0412(9) Uani 1 1 d . . .
H21F H 0.9372 1.1796 0.8911 0.049 Uiso 1 1 calc R . .
C217 C 0.7906(3) 1.1680(3) 0.87653(12) 0.0317(8) Uani 1 1 d . . .
C218 C 0.8097(3) 1.2002(3) 0.82615(13) 0.0308(8) Uani 1 1 d . . .
N219 N 0.6410(3) 0.8185(3) 0.80342(11) 0.0417(8) Uani 1 1 d . . .
C220 C 0.5571(4) 0.7213(4) 0.80911(15) 0.0516(11) Uani 1 1 d . . .
H22B H 0.4876 0.7107 0.8026 0.062 Uiso 1 1 calc R . .
C221 C 0.5662(4) 0.6335(4) 0.82422(17) 0.0599(12) Uani 1 1 d . . .
H22C H 0.5043 0.5650 0.8287 0.072 Uiso 1 1 calc R . .
C222 C 0.6654(5) 0.6488(4) 0.83230(18) 0.0683(14) Uani 1 1 d . . .
H22D H 0.6738 0.5900 0.8418 0.082 Uiso 1 1 calc R . .
C223 C 0.7555(4) 0.7501(4) 0.82681(16) 0.0558(12) Uani 1 1 d . . .
H22E H 0.8257 0.7620 0.8327 0.067 Uiso 1 1 calc R . .
C224 C 0.7386(3) 0.8325(3) 0.81247(13) 0.0398(9) Uani 1 1 d . . .
C225 C 0.8307(3) 0.9414(3) 0.80621(14) 0.0412(9) Uani 1 1 d . . .
H22F H 0.9010 0.9533 0.8117 0.049 Uiso 1 1 calc R . .
N226 N 0.8187(2) 1.0211(3) 0.79347(10) 0.0327(7) Uani 1 1 d . . .
C227 C 0.9128(3) 1.1239(3) 0.78736(13) 0.0344(8) Uani 1 1 d . . .
C228 C 1.0061(3) 1.1325(4) 0.76522(13) 0.0403(9) Uani 1 1 d . . .
H22G H 1.0063 1.0699 0.7543 0.048 Uiso 1 1 calc R . .
C229 C 1.0951(3) 1.2307(4) 0.75965(14) 0.0480(10) Uani 1 1 d . . .
H22H H 1.1578 1.2358 0.7454 0.058 Uiso 1 1 calc R . .
C230 C 1.0961(3) 1.3248(4) 0.77452(16) 0.0495(10) Uani 1 1 d . . .
C231 C 1.1875(4) 1.4280(4) 0.7689(2) 0.0703(14) Uani 1 1 d . . .
H23B H 1.2517 1.4347 0.7556 0.084 Uiso 1 1 calc R . .
C232 C 1.1845(5) 1.5161(5) 0.7819(3) 0.102(2) Uani 1 1 d . . .
H23C H 1.2461 1.5847 0.7771 0.123 Uiso 1 1 calc R . .
C233 C 1.0932(5) 1.5086(5) 0.8022(3) 0.100(2) Uani 1 1 d . . .
H23D H 1.0935 1.5723 0.8118 0.120 Uiso 1 1 calc R . .
C234 C 1.0034(4) 1.4129(4) 0.8089(2) 0.0644(13) Uani 1 1 d . . .
H23E H 0.9417 1.4099 0.8232 0.077 Uiso 1 1 calc R . .
C235 C 1.0006(3) 1.3165(3) 0.79472(14) 0.0425(9) Uani 1 1 d . . .
C236 C 0.9070(3) 1.2128(3) 0.80126(12) 0.0311(8) Uani 1 1 d . . .
P1 P 0.44541(8) 0.31654(9) 0.78786(4) 0.0408(2) Uani 1 1 d . . .
F11 F 0.4599(3) 0.4054(3) 0.74934(11) 0.0806(9) Uani 1 1 d . . .
F12 F 0.4009(2) 0.3654(2) 0.82808(10) 0.0642(7) Uani 1 1 d . . .
F13 F 0.5648(2) 0.3917(2) 0.80822(9) 0.0601(7) Uani 1 1 d . . .
F14 F 0.49192(19) 0.2665(2) 0.74848(8) 0.0525(6) Uani 1 1 d . . .
F15 F 0.32737(19) 0.2403(2) 0.76805(9) 0.0648(7) Uani 1 1 d . . .
F16 F 0.43081(18) 0.22686(19) 0.82641(8) 0.0489(5) Uani 1 1 d . . .
P2 P 1.05864(15) 0.86382(19) 0.71168(6) 0.0985(6) Uani 1 1 d . . .
F21 F 1.0434(3) 0.9537(4) 0.68586(18) 0.1302(16) Uani 1 1 d . . .
F22 F 1.0777(4) 0.7851(5) 0.74292(18) 0.174(3) Uani 1 1 d . . .
F23 F 1.1720(4) 0.9147(5) 0.6922(2) 0.185(3) Uani 1 1 d . . .
F24 F 0.9484(5) 0.8240(8) 0.7368(3) 0.272(5) Uani 1 1 d . . .
F25 F 1.0064(8) 0.7930(6) 0.6685(3) 0.250(4) Uani 1 1 d . . .
F26 F 1.0974(7) 0.9327(7) 0.7589(3) 0.238(4) Uani 1 1 d . . .
N011 N 0.9447(5) 0.8916(5) 0.55220(18) 0.0961(19) Uani 1 1 d . . .
C012 C 0.9368(11) 0.7906(7) 0.5448(4) 0.199(6) Uani 1 1 d . . .
H01A H 0.9013 0.7607 0.5133 0.298 Uiso 1 1 calc R . .
H01B H 0.8947 0.7419 0.5714 0.298 Uiso 1 1 calc R . .
H01C H 1.0088 0.7993 0.5444 0.298 Uiso 1 1 calc R . .
O011 O 1.0300(5) 0.9634(4) 0.55205(18) 0.130(2) Uani 1 1 d . . .
O012 O 0.8737(6) 0.9055(8) 0.5538(3) 0.221(5) Uani 1 1 d . . .
N021 N 0.3121(10) 0.4992(10) 0.9104(4) 0.083(3) Uani 0.50 1 d P . .
C022 C 0.2086(10) 0.4169(12) 0.9069(4) 0.104(5) Uani 0.50 1 d P . .
H02A H 0.1793 0.4194 0.8748 0.156 Uiso 0.50 1 calc PR . .
H02B H 0.1654 0.4240 0.9329 0.156 Uiso 0.50 1 calc PR . .
H02C H 0.2069 0.3483 0.9106 0.156 Uiso 0.50 1 calc PR . .
O021 O 0.3309(9) 0.5832(10) 0.8922(4) 0.120(4) Uani 0.50 1 d P . .
O022 O 0.3760(9) 0.5026(9) 0.9356(6) 0.151(5) Uani 0.50 1 d P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N126 Ag1 N226 145.52(11) . . y
N126 Ag1 N219 133.77(12) . . y
N226 Ag1 N219 72.45(12) . . y
N126 Ag1 N119 71.41(10) . . y
N226 Ag1 N119 139.38(10) . . y
N219 Ag1 N119 90.03(12) . . y
N28 Ag2 N18 142.39(11) . . y
N28 Ag2 N11 138.33(11) . . y
N18 Ag2 N11 72.83(11) . . y
N28 Ag2 N21 71.87(10) . . y
N18 Ag2 N21 138.97(10) . . y
N11 Ag2 N21 92.08(11) . . y
C12 N11 C16 117.6(3) . . -
C12 N11 Ag2 130.4(3) . . y
C16 N11 Ag2 112.0(2) . . y
N11 C12 C13 123.1(4) . . -
C14 C13 C12 119.5(4) . . -
C13 C14 C15 118.4(4) . . -
C14 C15 C16 119.0(4) . . -
N11 C16 C15 122.4(3) . . -
N11 C16 C17 118.2(3) . . -
C15 C16 C17 119.4(3) . . -
N18 C17 C16 122.2(3) . . -
C17 N18 C19 119.2(3) . . -
C17 N18 Ag2 114.6(2) . . y
C19 N18 Ag2 126.0(2) . . y
C118 C19 C110 122.2(4) . . -
C118 C19 N18 118.4(3) . . -
C110 C19 N18 119.4(3) . . -
C26 N21 C22 117.6(4) . . -
C26 N21 Ag2 110.9(2) . . y
C22 N21 Ag2 131.5(3) . . y
N21 C22 C23 123.2(4) . . -
C24 C23 C22 118.4(4) . . -
C25 C24 C23 119.1(4) . . -
C24 C25 C26 119.4(4) . . -
N21 C26 C25 122.3(4) . . -
N21 C26 C27 117.7(3) . . -
C25 C26 C27 120.0(3) . . -
N28 C27 C26 122.7(3) . . -
C27 N28 C29 118.5(3) . . -
C27 N28 Ag2 116.6(2) . . y
C29 N28 Ag2 124.8(2) . . y
C218 C29 N28 119.3(3) . . -
C218 C29 C210 120.7(3) . . -
N28 C29 C210 120.0(3) . . -
C111 C110 C19 119.9(4) . . -
C110 C111 C112 120.7(4) . . -
C111 C112 C117 119.8(4) . . -
C111 C112 C113 121.3(5) . . -
C117 C112 C113 118.9(5) . . -
C114 C113 C112 121.0(5) . . -
C113 C114 C115 120.0(5) . . -
C116 C115 C114 121.0(5) . . -
C115 C116 C117 120.4(5) . . -
C116 C117 C112 118.6(4) . . -
C116 C117 C118 122.0(4) . . -
C112 C117 C118 119.4(4) . . -
C19 C118 C117 117.9(4) . . -
C19 C118 C136 119.6(3) . . -
C117 C118 C136 122.2(3) . . -
C120 N119 C124 116.6(3) . . -
C120 N119 Ag1 131.7(3) . . y
C124 N119 Ag1 111.3(2) . . y
N119 C120 C121 124.4(4) . . -
C122 C121 C120 118.3(4) . . -
C121 C122 C123 119.9(5) . . -
C124 C123 C122 117.1(5) . . -
N119 C124 C123 123.6(4) . . -
N119 C124 C125 116.9(3) . . -
C123 C124 C125 119.5(4) . . -
N126 C125 C124 123.1(4) . . -
C125 N126 C127 119.6(3) . . -
C125 N126 Ag1 116.7(2) . . y
C127 N126 Ag1 123.7(2) . . y
C136 C127 C128 121.9(3) . . -
C136 C127 N126 118.2(3) . . -
C128 C127 N126 119.9(3) . . -
C129 C128 C127 119.4(4) . . -
C128 C129 C130 121.5(4) . . -
C132 C131 C130 119.9(4) . . -
C131 C132 C133 121.5(4) . . -
C134 C133 C132 119.9(4) . . -
C133 C134 C135 120.4(4) . . -
C130 C135 C134 118.7(4) . . -
C130 C135 C136 120.2(4) . . -
C134 C135 C136 121.2(4) . . -
C129 C130 C135 119.2(3) . . -
C129 C130 C131 121.2(4) . . -
C135 C130 C131 119.6(4) . . -
C127 C136 C135 117.7(3) . . -
C127 C136 C118 122.5(3) . . -
C135 C136 C118 119.8(3) . . -
C211 C210 C29 120.5(4) . . -
C210 C211 C212 120.8(3) . . -
C211 C212 C213 122.4(4) . . -
C211 C212 C217 118.5(3) . . -
C213 C212 C217 119.1(4) . . -
C214 C213 C212 121.0(4) . . -
C213 C214 C215 120.8(4) . . -
C216 C215 C214 120.0(4) . . -
C215 C216 C217 121.0(4) . . -
C212 C217 C216 118.0(3) . . -
C212 C217 C218 120.7(3) . . -
C216 C217 C218 121.2(3) . . -
C29 C218 C217 118.3(3) . . -
C29 C218 C236 122.0(3) . . -
C217 C218 C236 119.7(3) . . -
C220 N219 C224 118.1(4) . . -
C220 N219 Ag1 128.4(3) . . y
C224 N219 Ag1 113.5(3) . . y
N219 C220 C221 122.9(4) . . -
C222 C221 C220 118.1(5) . . -
C221 C222 C223 120.7(5) . . -
C224 C223 C222 117.2(5) . . -
N219 C224 C223 123.0(4) . . -
N219 C224 C225 117.2(3) . . -
C223 C224 C225 119.8(4) . . -
N226 C225 C224 122.0(4) . . -
C225 N226 C227 118.3(3) . . -
C225 N226 Ag1 114.6(3) . . y
C227 N226 Ag1 126.8(2) . . y
C236 C227 C228 122.0(4) . . -
C236 C227 N226 117.6(3) . . -
C228 C227 N226 120.3(3) . . -
C229 C228 C227 119.8(4) . . -
C228 C229 C230 121.3(4) . . -
C229 C230 C231 122.4(4) . . -
C229 C230 C235 118.9(4) . . -
C231 C230 C235 118.7(4) . . -
C232 C231 C230 120.8(5) . . -
C231 C232 C233 120.9(5) . . -
C234 C233 C232 121.5(6) . . -
C233 C234 C235 120.4(5) . . -
C234 C235 C230 117.8(4) . . -
C234 C235 C236 122.3(4) . . -
C230 C235 C236 120.0(4) . . -
C227 C236 C235 118.0(3) . . -
C227 C236 C218 120.3(3) . . -
C235 C236 C218 121.5(3) . . -
F11 P1 F15 89.82(17) . . -
F11 P1 F16 179.75(16) . . -
F15 P1 F16 90.10(14) . . -
F11 P1 F12 91.07(15) . . -
F15 P1 F12 90.65(15) . . -
F16 P1 F12 89.17(14) . . -
F11 P1 F13 91.14(17) . . -
F15 P1 F13 178.93(17) . . -
F16 P1 F13 88.94(14) . . -
F12 P1 F13 89.79(15) . . -
F11 P1 F14 90.18(15) . . -
F15 P1 F14 90.28(14) . . -
F16 P1 F14 89.58(13) . . -
F12 P1 F14 178.44(15) . . -
F13 P1 F14 89.26(13) . . -
F25 P2 F23 96.2(5) . . -
F25 P2 F22 98.5(4) . . -
F23 P2 F22 90.2(3) . . -
F25 P2 F26 172.2(5) . . -
F23 P2 F26 91.5(5) . . -
F22 P2 F26 82.7(4) . . -
F25 P2 F24 91.2(6) . . -
F23 P2 F24 172.3(5) . . -
F22 P2 F24 90.6(3) . . -
F26 P2 F24 81.1(5) . . -
F25 P2 F21 88.8(4) . . -
F23 P2 F21 90.3(2) . . -
F22 P2 F21 172.6(4) . . -
F26 P2 F21 89.9(4) . . -
F24 P2 F21 87.9(3) . . -
O012 N011 O011 119.7(8) . . -
O012 N011 C012 124.6(9) . . -
O011 N011 C012 115.3(8) . . -
O022 N021 O021 115.9(14) . . -
O022 N021 C022 126.4(15) . . -
O021 N021 C022 116.1(14) . . -
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N126 2.284(3) . y
Ag1 N226 2.313(3) . y
Ag1 N219 2.369(3) . y
Ag1 N119 2.457(3) . y
Ag2 N28 2.266(3) . y
Ag2 N18 2.301(3) . y
Ag2 N11 2.377(3) . y
Ag2 N21 2.452(3) . y
N11 C12 1.327(5) . -
N11 C16 1.341(5) . -
C12 C13 1.385(6) . -
C13 C14 1.361(6) . -
C14 C15 1.382(6) . -
C15 C16 1.390(5) . -
C16 C17 1.461(5) . -
C17 N18 1.279(5) . -
N18 C19 1.425(5) . -
C19 C118 1.379(5) . -
C19 C110 1.412(5) . -
N21 C26 1.331(5) . -
N21 C22 1.335(5) . -
C22 C23 1.373(6) . -
C23 C24 1.371(7) . -
C24 C25 1.359(6) . -
C25 C26 1.380(5) . -
C26 C27 1.465(5) . -
C27 N28 1.271(4) . -
N28 C29 1.418(4) . -
C29 C218 1.386(5) . -
C29 C210 1.429(5) . -
C110 C111 1.366(6) . -
C111 C112 1.403(6) . -
C112 C117 1.421(6) . -
C112 C113 1.422(6) . -
C113 C114 1.337(8) . -
C114 C115 1.405(8) . -
C115 C116 1.368(7) . -
C116 C117 1.398(6) . -
C117 C118 1.444(5) . -
C118 C136 1.471(5) . -
N119 C120 1.330(5) . -
N119 C124 1.340(5) . -
C120 C121 1.361(7) . -
C121 C122 1.355(8) . -
C122 C123 1.395(7) . -
C123 C124 1.376(6) . -
C124 C125 1.470(6) . -
C125 N126 1.263(5) . -
N126 C127 1.420(4) . -
C127 C136 1.400(5) . -
C127 C128 1.416(5) . -
C128 C129 1.370(6) . -
C129 C130 1.410(6) . -
C131 C132 1.360(7) . -
C131 C130 1.421(5) . -
C132 C133 1.400(7) . -
C133 C134 1.381(6) . -
C134 C135 1.421(6) . -
C135 C130 1.416(6) . -
C135 C136 1.439(5) . -
C210 C211 1.364(5) . -
C211 C212 1.417(6) . -
C212 C213 1.419(5) . -
C212 C217 1.424(5) . -
C213 C214 1.352(7) . -
C214 C215 1.406(7) . -
C215 C216 1.369(5) . -
C216 C217 1.428(5) . -
C217 C218 1.430(5) . -
C218 C236 1.482(5) . -
N219 C220 1.323(5) . -
N219 C224 1.339(5) . -
C220 C221 1.395(6) . -
C221 C222 1.348(7) . -
C222 C223 1.392(7) . -
C223 C224 1.381(6) . -
C224 C225 1.470(6) . -
C225 N226 1.289(5) . -
N226 C227 1.430(5) . -
C227 C236 1.376(5) . -
C227 C228 1.419(5) . -
C228 C229 1.360(6) . -
C229 C230 1.407(6) . -
C230 C231 1.416(6) . -
C230 C235 1.428(5) . -
C231 C232 1.337(8) . -
C232 C233 1.380(9) . -
C233 C234 1.348(7) . -
C234 C235 1.422(6) . -
C235 C236 1.436(5) . -
P1 F11 1.585(3) . -
P1 F15 1.586(3) . -
P1 F16 1.593(2) . -
P1 F12 1.598(3) . -
P1 F13 1.603(3) . -
P1 F14 1.611(2) . -
P2 F25 1.490(6) . -
P2 F23 1.512(4) . -
P2 F22 1.547(4) . -
P2 F26 1.548(7) . -
P2 F24 1.549(6) . -
P2 F21 1.581(4) . -
N011 O012 1.135(8) . -
N011 O011 1.142(6) . -
N011 C012 1.414(9) . -
N021 O022 1.127(14) . -
N021 O021 1.207(14) . -
N021 C022 1.366(15) . -
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
N28 Ag2 N11 C12 -29.9(4) . . . . y
N18 Ag2 N11 C12 176.0(4) . . . . y
N21 Ag2 N11 C12 34.8(4) . . . . y
N28 Ag2 N11 C16 151.5(2) . . . . y
N18 Ag2 N11 C16 -2.6(2) . . . . y
N21 Ag2 N11 C16 -143.8(2) . . . . y
C16 N11 C12 C13 0.7(6) . . . . -
Ag2 N11 C12 C13 -177.8(3) . . . . y
N11 C12 C13 C14 -1.1(7) . . . . -
C12 C13 C14 C15 0.8(6) . . . . -
C13 C14 C15 C16 -0.1(6) . . . . -
C12 N11 C16 C15 0.0(5) . . . . -
Ag2 N11 C16 C15 178.8(3) . . . . y
C12 N11 C16 C17 -177.7(3) . . . . -
Ag2 N11 C16 C17 1.1(4) . . . . y
C14 C15 C16 N11 -0.3(6) . . . . -
C14 C15 C16 C17 177.4(3) . . . . -
N11 C16 C17 N18 2.8(5) . . . . -
C15 C16 C17 N18 -174.9(3) . . . . -
C16 C17 N18 C19 179.7(3) . . . . -
C16 C17 N18 Ag2 -5.3(4) . . . . y
N28 Ag2 N18 C17 -147.5(2) . . . . y
N11 Ag2 N18 C17 4.1(2) . . . . y
N21 Ag2 N18 C17 76.8(3) . . . . y
N28 Ag2 N18 C19 27.1(4) . . . . y
N11 Ag2 N18 C19 178.7(3) . . . . y
N21 Ag2 N18 C19 -108.6(3) . . . . y
C17 N18 C19 C118 -140.3(3) . . . . -
Ag2 N18 C19 C118 45.3(4) . . . . y
C17 N18 C19 C110 40.4(5) . . . . -
Ag2 N18 C19 C110 -134.1(3) . . . . y
N28 Ag2 N21 C26 -3.2(2) . . . . y
N18 Ag2 N21 C26 150.1(2) . . . . y
N11 Ag2 N21 C26 -144.0(3) . . . . y
N28 Ag2 N21 C22 176.9(4) . . . . y
N18 Ag2 N21 C22 -29.8(5) . . . . y
N11 Ag2 N21 C22 36.1(4) . . . . y
C26 N21 C22 C23 0.1(7) . . . . -
Ag2 N21 C22 C23 -180.0(3) . . . . y
N21 C22 C23 C24 -1.5(8) . . . . -
C22 C23 C24 C25 2.3(8) . . . . -
C23 C24 C25 C26 -1.8(8) . . . . -
C22 N21 C26 C25 0.5(6) . . . . -
Ag2 N21 C26 C25 -179.4(3) . . . . y
C22 N21 C26 C27 -178.2(4) . . . . -
Ag2 N21 C26 C27 1.9(4) . . . . y
C24 C25 C26 N21 0.4(7) . . . . -
C24 C25 C26 C27 179.0(4) . . . . -
N21 C26 C27 N28 2.2(5) . . . . -
C25 C26 C27 N28 -176.5(4) . . . . -
C26 C27 N28 C29 178.0(3) . . . . -
C26 C27 N28 Ag2 -5.4(4) . . . . y
N18 Ag2 N28 C27 -146.7(2) . . . . y
N11 Ag2 N28 C27 76.4(3) . . . . y
N21 Ag2 N28 C27 4.5(2) . . . . y
N18 Ag2 N28 C29 29.7(4) . . . . y
N11 Ag2 N28 C29 -107.3(3) . . . . y
N21 Ag2 N28 C29 -179.2(3) . . . . y
C27 N28 C29 C218 -138.4(3) . . . . -
Ag2 N28 C29 C218 45.3(4) . . . . y
C27 N28 C29 C210 40.9(5) . . . . -
Ag2 N28 C29 C210 -135.4(3) . . . . y
C118 C19 C110 C111 1.4(5) . . . . -
N18 C19 C110 C111 -179.3(3) . . . . -
C19 C110 C111 C112 0.0(5) . . . . -
C110 C111 C112 C117 -1.2(6) . . . . -
C110 C111 C112 C113 179.5(4) . . . . -
C111 C112 C113 C114 -179.5(4) . . . . -
C117 C112 C113 C114 1.2(6) . . . . -
C112 C113 C114 C115 -1.2(7) . . . . -
C113 C114 C115 C116 1.6(8) . . . . -
C114 C115 C116 C117 -2.0(7) . . . . -
C115 C116 C117 C112 2.0(6) . . . . -
C115 C116 C117 C118 179.9(4) . . . . -
C111 C112 C117 C116 179.2(3) . . . . -
C113 C112 C117 C116 -1.6(5) . . . . -
C111 C112 C117 C118 1.2(5) . . . . -
C113 C112 C117 C118 -179.6(3) . . . . -
C110 C19 C118 C117 -1.4(5) . . . . -
N18 C19 C118 C117 179.3(3) . . . . -
C110 C19 C118 C136 -175.4(3) . . . . -
N18 C19 C118 C136 5.3(5) . . . . -
C116 C117 C118 C19 -177.8(3) . . . . -
C112 C117 C118 C19 0.1(5) . . . . -
C116 C117 C118 C136 -4.0(5) . . . . -
C112 C117 C118 C136 173.9(3) . . . . -
N126 Ag1 N119 C120 -178.9(4) . . . . y
N226 Ag1 N119 C120 -18.2(5) . . . . y
N219 Ag1 N119 C120 44.2(4) . . . . y
N126 Ag1 N119 C124 -6.8(3) . . . . y
N226 Ag1 N119 C124 153.9(3) . . . . y
N219 Ag1 N119 C124 -143.6(3) . . . . y
C124 N119 C120 C121 -0.8(8) . . . . -
Ag1 N119 C120 C121 171.0(4) . . . . y
N119 C120 C121 C122 -0.8(9) . . . . -
C120 C121 C122 C123 0.4(11) . . . . -
C121 C122 C123 C124 1.5(11) . . . . -
C120 N119 C124 C123 2.8(7) . . . . -
Ag1 N119 C124 C123 -170.6(4) . . . . y
C120 N119 C124 C125 -178.6(4) . . . . -
Ag1 N119 C124 C125 8.0(5) . . . . y
C122 C123 C124 N119 -3.2(9) . . . . -
C122 C123 C124 C125 178.2(6) . . . . -
N119 C124 C125 N126 -4.4(7) . . . . -
C123 C124 C125 N126 174.3(5) . . . . -
C124 C125 N126 C127 179.9(4) . . . . -
C124 C125 N126 Ag1 -2.5(6) . . . . y
N226 Ag1 N126 C125 -152.9(3) . . . . y
N219 Ag1 N126 C125 76.0(3) . . . . y
N119 Ag1 N126 C125 4.8(3) . . . . y
N226 Ag1 N126 C127 24.6(4) . . . . y
N219 Ag1 N126 C127 -106.5(3) . . . . y
N119 Ag1 N126 C127 -177.8(3) . . . . y
C125 N126 C127 C136 -140.7(4) . . . . -
Ag1 N126 C127 C136 41.9(4) . . . . y
C125 N126 C127 C128 41.4(5) . . . . -
Ag1 N126 C127 C128 -136.0(3) . . . . y
C136 C127 C128 C129 -0.6(6) . . . . -
N126 C127 C128 C129 177.3(4) . . . . -
C127 C128 C129 C130 2.3(6) . . . . -
C130 C131 C132 C133 -1.5(7) . . . . -
C131 C132 C133 C134 -1.2(7) . . . . -
C132 C133 C134 C135 1.4(6) . . . . -
C133 C134 C135 C130 1.2(6) . . . . -
C133 C134 C135 C136 -179.9(4) . . . . -
C128 C129 C130 C135 -0.6(6) . . . . -
C128 C129 C130 C131 179.5(4) . . . . -
C134 C135 C130 C129 176.2(4) . . . . -
C136 C135 C130 C129 -2.7(6) . . . . -
C134 C135 C130 C131 -3.8(6) . . . . -
C136 C135 C130 C131 177.2(4) . . . . -
C132 C131 C130 C129 -176.0(4) . . . . -
C132 C131 C130 C135 4.1(6) . . . . -
C128 C127 C136 C135 -2.6(5) . . . . -
N126 C127 C136 C135 179.4(3) . . . . -
C128 C127 C136 C118 177.1(3) . . . . -
N126 C127 C136 C118 -0.8(5) . . . . -
C130 C135 C136 C127 4.2(5) . . . . -
C134 C135 C136 C127 -174.7(3) . . . . -
C130 C135 C136 C118 -175.5(3) . . . . -
C134 C135 C136 C118 5.6(5) . . . . -
C19 C118 C136 C127 -112.6(4) . . . . -
C117 C118 C136 C127 73.7(5) . . . . -
C19 C118 C136 C135 67.1(5) . . . . -
C117 C118 C136 C135 -106.6(4) . . . . -
C218 C29 C210 C211 2.1(5) . . . . -
N28 C29 C210 C211 -177.2(3) . . . . -
C29 C210 C211 C212 3.6(6) . . . . -
C210 C211 C212 C213 174.1(4) . . . . -
C210 C211 C212 C217 -4.2(5) . . . . -
C211 C212 C213 C214 -174.5(4) . . . . -
C217 C212 C213 C214 3.8(6) . . . . -
C212 C213 C214 C215 -1.9(7) . . . . -
C213 C214 C215 C216 -0.7(7) . . . . -
C214 C215 C216 C217 1.4(6) . . . . -
C211 C212 C217 C216 175.4(3) . . . . -
C213 C212 C217 C216 -3.0(5) . . . . -
C211 C212 C217 C218 -0.7(5) . . . . -
C213 C212 C217 C218 -179.1(3) . . . . -
C215 C216 C217 C212 0.4(5) . . . . -
C215 C216 C217 C218 176.5(4) . . . . -
N28 C29 C218 C217 172.5(3) . . . . -
C210 C29 C218 C217 -6.8(5) . . . . -
N28 C29 C218 C236 -7.5(5) . . . . -
C210 C29 C218 C236 173.2(3) . . . . -
C212 C217 C218 C29 6.2(5) . . . . -
C216 C217 C218 C29 -169.8(3) . . . . -
C212 C217 C218 C236 -173.9(3) . . . . -
C216 C217 C218 C236 10.1(5) . . . . -
N126 Ag1 N219 C220 -27.5(4) . . . . y
N226 Ag1 N219 C220 179.1(4) . . . . y
N119 Ag1 N219 C220 36.3(3) . . . . y
N126 Ag1 N219 C224 149.0(2) . . . . y
N226 Ag1 N219 C224 -4.5(2) . . . . y
N119 Ag1 N219 C224 -147.2(3) . . . . y
C224 N219 C220 C221 0.3(6) . . . . -
Ag1 N219 C220 C221 176.6(3) . . . . y
N219 C220 C221 C222 -1.4(7) . . . . -
C220 C221 C222 C223 1.5(7) . . . . -
C221 C222 C223 C224 -0.6(7) . . . . -
C220 N219 C224 C223 0.8(6) . . . . -
Ag1 N219 C224 C223 -176.1(3) . . . . y
C220 N219 C224 C225 -179.6(3) . . . . -
Ag1 N219 C224 C225 3.5(4) . . . . y
C222 C223 C224 N219 -0.6(6) . . . . -
C222 C223 C224 C225 179.8(4) . . . . -
N219 C224 C225 N226 1.3(5) . . . . -
C223 C224 C225 N226 -179.1(4) . . . . -
C224 C225 N226 C227 -178.9(3) . . . . -
C224 C225 N226 Ag1 -5.5(4) . . . . -
N126 Ag1 N226 C225 -140.1(3) . . . . y
N219 Ag1 N226 C225 5.1(2) . . . . y
N119 Ag1 N226 C225 73.5(3) . . . . y
N126 Ag1 N226 C227 32.7(4) . . . . y
N219 Ag1 N226 C227 177.9(3) . . . . y
N119 Ag1 N226 C227 -113.7(3) . . . . y
C225 N226 C227 C236 -143.9(3) . . . . -
Ag1 N226 C227 C236 43.6(4) . . . . y
C225 N226 C227 C228 39.4(5) . . . . -
Ag1 N226 C227 C228 -133.1(3) . . . . y
C236 C227 C228 C229 3.5(5) . . . . -
N226 C227 C228 C229 -179.9(3) . . . . -
C227 C228 C229 C230 -1.3(6) . . . . -
C228 C229 C230 C231 -179.6(4) . . . . -
C228 C229 C230 C235 -1.5(6) . . . . -
C229 C230 C231 C232 177.7(6) . . . . -
C235 C230 C231 C232 -0.4(8) . . . . -
C230 C231 C232 C233 1.5(11) . . . . -
C231 C232 C233 C234 -1.2(13) . . . . -
C232 C233 C234 C235 -0.4(11) . . . . -
C233 C234 C235 C230 1.4(8) . . . . -
C233 C234 C235 C236 179.8(6) . . . . -
C229 C230 C235 C234 -179.3(4) . . . . -
C231 C230 C235 C234 -1.1(6) . . . . -
C229 C230 C235 C236 2.3(6) . . . . -
C231 C230 C235 C236 -179.5(4) . . . . -
C228 C227 C236 C235 -2.6(5) . . . . -
N226 C227 C236 C235 -179.3(3) . . . . -
C228 C227 C236 C218 -177.4(3) . . . . -
N226 C227 C236 C218 5.9(5) . . . . -
C234 C235 C236 C227 -178.6(4) . . . . -
C230 C235 C236 C227 -0.3(5) . . . . -
C234 C235 C236 C218 -3.9(6) . . . . -
C230 C235 C236 C218 174.4(3) . . . . -
C29 C218 C236 C227 -105.2(4) . . . . -
C217 C218 C236 C227 74.9(4) . . . . -
C29 C218 C236 C235 80.2(5) . . . . -
C217 C218 C236 C235 -99.7(4) . . . . -?
