#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/13/2221380.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2221380
loop_
_publ_author_name
'Omondi, Bernard'
'Meijboom, Reinout'
_publ_section_title
Di-μ-iodido-bis{[dicyclohexyl(phenyl)phosphine-κP](pyridine-κN)silver(I)}
_journal_coeditor_code           HG2494
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m462
_journal_page_last               m463
_journal_paper_doi               10.1107/S160053680901099X
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Ag2 I2 (C5 H5 N)2 (C18 H27 P)2]'
_chemical_formula_moiety         'C46 H64 Ag2 I2 N2 P2'
_chemical_formula_sum            'C46 H64 Ag2 I2 N2 P2'
_chemical_formula_weight         1176.47
_chemical_name_systematic
;
Di-μ-iodido-bis{[dicyclohexyl(phenyl)phosphine-\kP](pyridine-\kN)silver(I)}
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90.484(3)
_cell_angle_beta                 102.404(2)
_cell_angle_gamma                112.704(2)
_cell_formula_units_Z            1
_cell_length_a                   9.5970(12)
_cell_length_b                   9.9816(13)
_cell_length_c                   14.1437(18)
_cell_measurement_reflns_used    8087
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      1.48
_cell_volume                     1214.4(3)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'SMART (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 2005)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0142
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7951
_diffrn_reflns_theta_full        28
_diffrn_reflns_theta_max         28
_diffrn_reflns_theta_min         1.48
_exptl_absorpt_coefficient_mu    2.175
_exptl_absorpt_correction_T_max  0.8283
_exptl_absorpt_correction_T_min  0.5615
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.609
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             584
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.504
_refine_diff_density_min         -0.808
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         5723
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_gt           0.0305
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0363P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0728
_reflns_number_gt                4310
_reflns_number_total             5723
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hg2494.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2221380
_cod_database_fobs_code          2221380
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_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_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag Ag 0.64528(3) 0.51283(3) 0.579194(16) 0.04387(8) Uani d . 1 . .
I I 0.67657(2) 0.67819(2) 0.418646(15) 0.04704(8) Uani d . 1 . .
P P 0.75790(9) 0.61782(8) 0.74849(5) 0.03498(17) Uani d . 1 . .
N N 0.7116(3) 0.3242(3) 0.5233(2) 0.0496(7) Uani d . 1 . .
C C11 0.8282(4) 0.4979(3) 0.8258(2) 0.0420(7) Uani d . 1 . .
H H11 0.8702 0.545 0.8926 0.05 Uiso calc R 1 . .
C C12 0.6951(4) 0.3510(4) 0.8252(3) 0.0545(9) Uani d . 1 . .
H H12A 0.6467 0.3071 0.7587 0.065 Uiso calc R 1 . .
H H12B 0.6171 0.366 0.8525 0.065 Uiso calc R 1 . .
C C13 0.7541(6) 0.2473(5) 0.8845(3) 0.0758(12) Uani d . 1 . .
H H13A 0.792 0.2863 0.9524 0.091 Uiso calc R 1 . .
H H13B 0.6687 0.1531 0.8799 0.091 Uiso calc R 1 . .
C C14 0.8837(6) 0.2275(5) 0.8483(3) 0.0793(13) Uani d . 1 . .
H H14A 0.9225 0.1663 0.8897 0.095 Uiso calc R 1 . .
H H14B 0.8427 0.1782 0.7828 0.095 Uiso calc R 1 . .
C C15 1.0152(5) 0.3712(5) 0.8482(3) 0.0745(12) Uani d . 1 . .
H H15A 1.0921 0.3552 0.8204 0.089 Uiso calc R 1 . .
H H15B 1.0647 0.415 0.9147 0.089 Uiso calc R 1 . .
C C16 0.9582(4) 0.4757(4) 0.7898(3) 0.0535(9) Uani d . 1 . .
H H16A 0.9202 0.4372 0.7218 0.064 Uiso calc R 1 . .
H H16B 1.0446 0.5692 0.7948 0.064 Uiso calc R 1 . .
C C21 0.6083(4) 0.6419(3) 0.8017(2) 0.0403(7) Uani d . 1 . .
H H21 0.5195 0.5473 0.7889 0.048 Uiso calc R 1 . .
C C22 0.5502(4) 0.7498(4) 0.7480(2) 0.0523(8) Uani d . 1 . .
H H22A 0.5176 0.7192 0.6787 0.063 Uiso calc R 1 . .
H H22B 0.6344 0.8457 0.7585 0.063 Uiso calc R 1 . .
C C23 0.4137(5) 0.7582(5) 0.7837(3) 0.0680(11) Uani d . 1 . .
H H23A 0.3842 0.8322 0.752 0.082 Uiso calc R 1 . .
H H23B 0.3253 0.6653 0.7659 0.082 Uiso calc R 1 . .
C C24 0.4547(5) 0.7946(5) 0.8927(3) 0.0713(11) Uani d . 1 . .
H H24A 0.5336 0.8932 0.9096 0.086 Uiso calc R 1 . .
H H24B 0.3633 0.7912 0.9132 0.086 Uiso calc R 1 . .
C C25 0.5139(5) 0.6903(5) 0.9458(3) 0.0643(10) Uani d . 1 . .
H H25A 0.4306 0.5939 0.9355 0.077 Uiso calc R 1 . .
H H25B 0.5458 0.7213 1.015 0.077 Uiso calc R 1 . .
C C26 0.6511(4) 0.6823(4) 0.9116(2) 0.0512(8) Uani d . 1 . .
H H26A 0.6819 0.6099 0.9447 0.061 Uiso calc R 1 . .
H H26B 0.7386 0.776 0.9282 0.061 Uiso calc R 1 . .
C C31 0.9209(3) 0.7958(3) 0.7758(2) 0.0386(7) Uani d . 1 . .
C C32 0.9355(4) 0.8901(4) 0.7032(2) 0.0473(8) Uani d . 1 . .
H H32 0.8637 0.8606 0.6435 0.057 Uiso calc R 1 . .
C C33 1.0555(5) 1.0272(4) 0.7185(3) 0.0628(10) Uani d . 1 . .
H H33 1.0619 1.0899 0.6698 0.075 Uiso calc R 1 . .
C C34 1.1638(5) 1.0704(4) 0.8043(4) 0.0713(12) Uani d . 1 . .
H H34 1.2464 1.1611 0.8134 0.086 Uiso calc R 1 . .
C C35 1.1515(5) 0.9803(4) 0.8779(3) 0.0714(12) Uani d . 1 . .
H H35 1.2242 1.011 0.9374 0.086 Uiso calc R 1 . .
C C36 1.0303(4) 0.8434(4) 0.8631(3) 0.0583(9) Uani d . 1 . .
H H36 1.0227 0.7828 0.913 0.07 Uiso calc R 1 . .
C C41 0.6644(5) 0.1923(4) 0.5544(3) 0.0605(10) Uani d . 1 . .
H H41 0.592 0.1694 0.5925 0.073 Uiso calc R 1 . .
C C42 0.7168(5) 0.0881(4) 0.5333(3) 0.0694(11) Uani d . 1 . .
H H42 0.6801 -0.0032 0.5562 0.083 Uiso calc R 1 . .
C C43 0.8250(5) 0.1217(5) 0.4776(3) 0.0759(12) Uani d . 1 . .
H H43 0.8629 0.0536 0.462 0.091 Uiso calc R 1 . .
C C44 0.8749(5) 0.2560(5) 0.4461(3) 0.0742(12) Uani d . 1 . .
H H44 0.9491 0.2818 0.4092 0.089 Uiso calc R 1 . .
C C45 0.8155(4) 0.3540(4) 0.4688(3) 0.0577(9) Uani d . 1 . .
H H45 0.8491 0.445 0.4453 0.069 Uiso calc R 1 . .
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 0 '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'
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'
I I -0.4742 1.8119 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N Ag P . . 118.15(7) y
N Ag I . . 98.31(7) y
P Ag I . . 123.82(2) y
N Ag I . 2_666 95.85(7) y
P Ag I . 2_666 102.83(2) ?
I Ag I . 2_666 114.947(10) y
N Ag Ag . 2_666 103.19(7) y
P Ag Ag . 2_666 135.80(2) y
I Ag Ag . 2_666 59.443(10) y
I Ag Ag 2_666 2_666 55.505(11) y
Ag I Ag . 2_666 65.053(10) y
C31 P C11 . . 104.16(14) ?
C31 P C21 . . 104.32(14) ?
C11 P C21 . . 105.76(14) ?
C31 P Ag . . 119.07(10) ?
C11 P Ag . . 112.57(10) ?
C21 P Ag . . 109.89(10) ?
C41 N C45 . . 116.9(3) ?
C41 N Ag . . 122.4(2) ?
C45 N Ag . . 120.1(2) ?
C12 C11 C16 . . 110.3(3) ?
C12 C11 P . . 110.5(2) ?
C16 C11 P . . 109.9(2) ?
C12 C11 H11 . . 108.7 ?
C16 C11 H11 . . 108.7 ?
P C11 H11 . . 108.7 ?
C11 C12 C13 . . 110.9(3) ?
C11 C12 H12A . . 109.5 ?
C13 C12 H12A . . 109.5 ?
C11 C12 H12B . . 109.5 ?
C13 C12 H12B . . 109.5 ?
H12A C12 H12B . . 108 ?
C14 C13 C12 . . 111.5(3) ?
C14 C13 H13A . . 109.3 ?
C12 C13 H13A . . 109.3 ?
C14 C13 H13B . . 109.3 ?
C12 C13 H13B . . 109.3 ?
H13A C13 H13B . . 108 ?
C15 C14 C13 . . 111.6(4) ?
C15 C14 H14A . . 109.3 ?
C13 C14 H14A . . 109.3 ?
C15 C14 H14B . . 109.3 ?
C13 C14 H14B . . 109.3 ?
H14A C14 H14B . . 108 ?
C14 C15 C16 . . 111.4(4) ?
C14 C15 H15A . . 109.4 ?
C16 C15 H15A . . 109.4 ?
C14 C15 H15B . . 109.4 ?
C16 C15 H15B . . 109.4 ?
H15A C15 H15B . . 108 ?
C15 C16 C11 . . 112.1(3) ?
C15 C16 H16A . . 109.2 ?
C11 C16 H16A . . 109.2 ?
C15 C16 H16B . . 109.2 ?
C11 C16 H16B . . 109.2 ?
H16A C16 H16B . . 107.9 ?
C26 C21 C22 . . 110.5(3) ?
C26 C21 P . . 116.8(2) ?
C22 C21 P . . 110.4(2) ?
C26 C21 H21 . . 106.2 ?
C22 C21 H21 . . 106.2 ?
P C21 H21 . . 106.2 ?
C21 C22 C23 . . 111.1(3) ?
C21 C22 H22A . . 109.4 ?
C23 C22 H22A . . 109.4 ?
C21 C22 H22B . . 109.4 ?
C23 C22 H22B . . 109.4 ?
H22A C22 H22B . . 108 ?
C24 C23 C22 . . 111.6(3) ?
C24 C23 H23A . . 109.3 ?
C22 C23 H23A . . 109.3 ?
C24 C23 H23B . . 109.3 ?
C22 C23 H23B . . 109.3 ?
H23A C23 H23B . . 108 ?
C25 C24 C23 . . 111.7(3) ?
C25 C24 H24A . . 109.3 ?
C23 C24 H24A . . 109.3 ?
C25 C24 H24B . . 109.3 ?
C23 C24 H24B . . 109.3 ?
H24A C24 H24B . . 107.9 ?
C24 C25 C26 . . 111.9(3) ?
C24 C25 H25A . . 109.2 ?
C26 C25 H25A . . 109.2 ?
C24 C25 H25B . . 109.2 ?
C26 C25 H25B . . 109.2 ?
H25A C25 H25B . . 107.9 ?
C25 C26 C21 . . 110.9(3) ?
C25 C26 H26A . . 109.5 ?
C21 C26 H26A . . 109.5 ?
C25 C26 H26B . . 109.5 ?
C21 C26 H26B . . 109.5 ?
H26A C26 H26B . . 108.1 ?
C36 C31 C32 . . 117.7(3) ?
C36 C31 P . . 124.7(3) ?
C32 C31 P . . 117.6(2) ?
C33 C32 C31 . . 121.0(3) ?
C33 C32 H32 . . 119.5 ?
C31 C32 H32 . . 119.5 ?
C34 C33 C32 . . 120.2(4) ?
C34 C33 H33 . . 119.9 ?
C32 C33 H33 . . 119.9 ?
C33 C34 C35 . . 120.1(3) ?
C33 C34 H34 . . 119.9 ?
C35 C34 H34 . . 119.9 ?
C34 C35 C36 . . 119.7(4) ?
C34 C35 H35 . . 120.1 ?
C36 C35 H35 . . 120.1 ?
C31 C36 C35 . . 121.2(4) ?
C31 C36 H36 . . 119.4 ?
C35 C36 H36 . . 119.4 ?
N C41 C42 . . 123.5(4) ?
N C41 H41 . . 118.2 ?
C42 C41 H41 . . 118.2 ?
C41 C42 C43 . . 118.6(4) ?
C41 C42 H42 . . 120.7 ?
C43 C42 H42 . . 120.7 ?
C44 C43 C42 . . 118.5(4) ?
C44 C43 H43 . . 120.8 ?
C42 C43 H43 . . 120.8 ?
C43 C44 C45 . . 119.7(4) ?
C43 C44 H44 . . 120.2 ?
C45 C44 H44 . . 120.2 ?
N C45 C44 . . 122.8(4) ?
N C45 H45 . . 118.6 ?
C44 C45 H45 . . 118.6 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag N . 2.386(3) y
Ag P . 2.4436(8) y
Ag I . 2.8186(4) y
Ag I 2_666 2.9449(5) y
Ag Ag 2_666 3.1008(6) y
I Ag 2_666 2.9449(4) ?
P C31 . 1.827(3) ?
P C11 . 1.847(3) ?
P C21 . 1.847(3) ?
N C41 . 1.329(4) ?
N C45 . 1.334(4) ?
C11 C12 . 1.527(5) ?
C11 C16 . 1.532(4) ?
C11 H11 . 0.98 ?
C12 C13 . 1.536(5) ?
C12 H12A . 0.97 ?
C12 H12B . 0.97 ?
C13 C14 . 1.521(6) ?
C13 H13A . 0.97 ?
C13 H13B . 0.97 ?
C14 C15 . 1.501(6) ?
C14 H14A . 0.97 ?
C14 H14B . 0.97 ?
C15 C16 . 1.526(5) ?
C15 H15A . 0.97 ?
C15 H15B . 0.97 ?
C16 H16A . 0.97 ?
C16 H16B . 0.97 ?
C21 C26 . 1.528(4) ?
C21 C22 . 1.530(4) ?
C21 H21 . 0.98 ?
C22 C23 . 1.532(5) ?
C22 H22A . 0.97 ?
C22 H22B . 0.97 ?
C23 C24 . 1.510(5) ?
C23 H23A . 0.97 ?
C23 H23B . 0.97 ?
C24 C25 . 1.503(5) ?
C24 H24A . 0.97 ?
C24 H24B . 0.97 ?
C25 C26 . 1.525(5) ?
C25 H25A . 0.97 ?
C25 H25B . 0.97 ?
C26 H26A . 0.97 ?
C26 H26B . 0.97 ?
C31 C36 . 1.379(4) ?
C31 C32 . 1.391(4) ?
C32 C33 . 1.384(5) ?
C32 H32 . 0.93 ?
C33 C34 . 1.358(6) ?
C33 H33 . 0.93 ?
C34 C35 . 1.376(6) ?
C34 H34 . 0.93 ?
C35 C36 . 1.389(5) ?
C35 H35 . 0.93 ?
C36 H36 . 0.93 ?
C41 C42 . 1.374(5) ?
C41 H41 . 0.93 ?
C42 C43 . 1.378(6) ?
C42 H42 . 0.93 ?
C43 C44 . 1.353(6) ?
C43 H43 . 0.93 ?
C44 C45 . 1.376(5) ?
C44 H44 . 0.93 ?
C45 H45 . 0.93 ?
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
N Ag I Ag . . . 2_666 100.46(7) y
P Ag I Ag . . . 2_666 -127.34(3) y
I Ag I Ag 2_666 . . 2_666 0 ?
N Ag P C31 . . . . 102.47(14) ?
I Ag P C31 . . . . -21.28(12) ?
I Ag P C31 2_666 . . . -153.61(11) ?
Ag Ag P C31 2_666 . . . -100.40(12) ?
N Ag P C11 . . . . -19.81(14) ?
I Ag P C11 . . . . -143.57(11) ?
I Ag P C11 2_666 . . . 84.11(11) ?
Ag Ag P C11 2_666 . . . 137.32(11) ?
N Ag P C21 . . . . -137.39(13) ?
I Ag P C21 . . . . 98.85(11) ?
I Ag P C21 2_666 . . . -33.48(11) ?
Ag Ag P C21 2_666 . . . 19.73(11) ?
P Ag N C41 . . . . 68.4(3) ?
I Ag N C41 . . . . -155.9(3) ?
I Ag N C41 2_666 . . . -39.6(3) ?
Ag Ag N C41 2_666 . . . -95.5(3) ?
P Ag N C45 . . . . -102.6(3) ?
I Ag N C45 . . . . 33.1(3) ?
I Ag N C45 2_666 . . . 149.5(3) ?
Ag Ag N C45 2_666 . . . 93.6(3) ?
C31 P C11 C12 . . . . 169.8(2) ?
C21 P C11 C12 . . . . 60.2(3) ?
Ag P C11 C12 . . . . -59.8(2) ?
C31 P C11 C16 . . . . -68.2(3) ?
C21 P C11 C16 . . . . -177.8(2) ?
Ag P C11 C16 . . . . 62.2(2) ?
C16 C11 C12 C13 . . . . 55.0(4) ?
P C11 C12 C13 . . . . 176.8(2) ?
C11 C12 C13 C14 . . . . -55.7(5) ?
C12 C13 C14 C15 . . . . 55.5(5) ?
C13 C14 C15 C16 . . . . -54.9(5) ?
C14 C15 C16 C11 . . . . 55.2(4) ?
C12 C11 C16 C15 . . . . -55.1(4) ?
P C11 C16 C15 . . . . -177.2(3) ?
C31 P C21 C26 . . . . -61.2(3) ?
C11 P C21 C26 . . . . 48.3(3) ?
Ag P C21 C26 . . . . 170.1(2) ?
C31 P C21 C22 . . . . 66.0(3) ?
C11 P C21 C22 . . . . 175.6(2) ?
Ag P C21 C22 . . . . -62.7(2) ?
C26 C21 C22 C23 . . . . -55.6(4) ?
P C21 C22 C23 . . . . 173.7(3) ?
C21 C22 C23 C24 . . . . 54.9(5) ?
C22 C23 C24 C25 . . . . -54.4(5) ?
C23 C24 C25 C26 . . . . 54.9(5) ?
C24 C25 C26 C21 . . . . -55.8(4) ?
C22 C21 C26 C25 . . . . 55.9(4) ?
P C21 C26 C25 . . . . -176.9(2) ?
C11 P C31 C36 . . . . -28.3(3) ?
C21 P C31 C36 . . . . 82.4(3) ?
Ag P C31 C36 . . . . -154.7(3) ?
C11 P C31 C32 . . . . 151.8(2) ?
C21 P C31 C32 . . . . -97.5(3) ?
Ag P C31 C32 . . . . 25.4(3) ?
C36 C31 C32 C33 . . . . -0.3(5) ?
P C31 C32 C33 . . . . 179.6(3) ?
C31 C32 C33 C34 . . . . 1.8(6) ?
C32 C33 C34 C35 . . . . -2.5(6) ?
C33 C34 C35 C36 . . . . 1.7(6) ?
C32 C31 C36 C35 . . . . -0.5(5) ?
P C31 C36 C35 . . . . 179.6(3) ?
C34 C35 C36 C31 . . . . -0.2(6) ?
C45 N C41 C42 . . . . -0.1(6) ?
Ag N C41 C42 . . . . -171.3(3) ?
N C41 C42 C43 . . . . 0.5(6) ?
C41 C42 C43 C44 . . . . 0.0(7) ?
C42 C43 C44 C45 . . . . -1.0(7) ?
C41 N C45 C44 . . . . -1.0(6) ?
Ag N C45 C44 . . . . 170.5(3) ?
C43 C44 C45 N . . . . 1.5(7) ?
