# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_aw1709
_database_code_depnum_ccdc_archive 'CCDC 1919739'
loop_
_audit_author_name
_audit_author_address
'Andrew Peel'
;Dept of Chemistry, University of Cambridge
United Kingdom
;
_audit_update_record             
;
2019-05-30 deposited with the CCDC.	2020-01-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C46 H88 Ag2 Li4 N6 O2'
_chemical_formula_sum            'C46 H88 Ag2 Li4 N6 O2'

_chemical_formula_weight         1000.72

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Li Li 0.0008 0.0003 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.3861(3)
_cell_length_b                   11.5994(4)
_cell_length_c                   14.0500(5)
_cell_angle_alpha                86.881(2)
_cell_angle_beta                 79.282(2)
_cell_angle_gamma                83.876(2)
_cell_volume                     1334.35(8)
_cell_formula_units_Z            1
_cell_measurement_temperature    180(2)
_cell_measurement_reflns_used    9905
_cell_measurement_theta_min      3.203
_cell_measurement_theta_max      66.6

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.245
_exptl_crystal_F_000             528
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.103
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    6.165
_shelx_estimated_absorpt_T_min   0.569
_shelx_estimated_absorpt_T_max   0.748
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5959
_exptl_absorpt_correction_T_max  0.7528
_exptl_absorpt_process_details   
;
multi-scan from symmetry-related measurements 'SADABS (Bruker, 2016)' 

;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      180(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'Incoatec I\mS Cu microsource'
_diffrn_measurement_device_type  'Bruker D8-QUEST PHOTON-100'
_diffrn_measurement_method       'Thin slice ω and φ scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            14620
_diffrn_reflns_av_unetI/netI     0.0336
_diffrn_reflns_av_R_equivalents  0.0325
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.203
_diffrn_reflns_theta_max         66.637
_diffrn_reflns_theta_full        66.637
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.988
_reflns_number_total             4655
_reflns_number_gt                4220
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX3 (Bruker, 2016)'
_computing_cell_refinement       'SAINT (Bruker, 2016)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  'SHELXL-2016/6 (Sheldrick, 2016)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0286P)²+0.8500P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4655
_refine_ls_number_parameters     307
_refine_ls_number_restraints     256
_refine_ls_R_factor_all          0.0330
_refine_ls_R_factor_gt           0.0272
_refine_ls_wR_factor_ref         0.0673
_refine_ls_wR_factor_gt          0.0633
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_restrained_S_all      1.084
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.72661(2) 0.39434(2) 0.22530(2) 0.02509(7) Uani 1 1 d . . . . .
N1 N 0.7666(3) 0.54671(18) 0.29255(15) 0.0236(5) Uani 1 1 d . . . . .
C1 C 0.7042(4) 0.6546(2) 0.2441(2) 0.0349(7) Uani 1 1 d . . . . .
C2 C 0.7756(5) 0.6680(3) 0.1350(2) 0.0591(10) Uani 1 1 d . . . . .
H2A H 0.764639 0.597416 0.102466 0.089 Uiso 1 1 calc R U . . .
H2B H 0.891152 0.680587 0.126718 0.089 Uiso 1 1 calc R U . . .
H2C H 0.716268 0.734528 0.106625 0.089 Uiso 1 1 calc R U . . .
C3 C 0.5210(4) 0.6509(3) 0.2527(3) 0.0527(9) Uani 1 1 d . . . . .
H3A H 0.470041 0.646151 0.321276 0.079 Uiso 1 1 calc R U . . .
H3B H 0.500339 0.582769 0.220207 0.079 Uiso 1 1 calc R U . . .
H3C H 0.474725 0.721392 0.222058 0.079 Uiso 1 1 calc R U . . .
C4 C 0.7313(4) 0.7615(3) 0.2969(3) 0.0442(8) Uani 1 1 d . . . . .
H4A H 0.699423 0.832401 0.259620 0.053 Uiso 1 1 calc R U . . .
H4B H 0.659603 0.762996 0.361397 0.053 Uiso 1 1 calc R U . . .
C5 C 0.9061(5) 0.7630(3) 0.3097(3) 0.0497(9) Uani 1 1 d . . . . .
H5A H 0.977952 0.769067 0.245604 0.060 Uiso 1 1 calc R U . . .
H5B H 0.916020 0.831068 0.347052 0.060 Uiso 1 1 calc R U . . .
C6 C 0.9572(4) 0.6527(3) 0.3631(2) 0.0435(8) Uani 1 1 d . . . . .
H6A H 0.892499 0.651867 0.429619 0.052 Uiso 1 1 calc R U . . .
H6B H 1.073435 0.651836 0.368245 0.052 Uiso 1 1 calc R U . . .
C7 C 0.9340(4) 0.5425(3) 0.3128(2) 0.0338(7) Uani 1 1 d . . . . .
C8 C 1.0720(4) 0.5226(4) 0.2240(3) 0.0620(11) Uani 1 1 d . . . . .
H8A H 1.177320 0.510500 0.245562 0.093 Uiso 1 1 calc R U . . .
H8B H 1.070701 0.590711 0.179594 0.093 Uiso 1 1 calc R U . . .
H8C H 1.055402 0.454090 0.190604 0.093 Uiso 1 1 calc R U . . .
C9 C 0.9535(5) 0.4387(3) 0.3836(3) 0.0525(9) Uani 1 1 d . . . . .
H9A H 1.062812 0.432685 0.399919 0.079 Uiso 1 1 calc R U . . .
H9B H 0.938747 0.367375 0.353298 0.079 Uiso 1 1 calc R U . . .
H9C H 0.871501 0.449724 0.442721 0.079 Uiso 1 1 calc R U . . .
Li1 Li 0.6148(7) 0.5151(4) 0.4125(4) 0.0439(14) Uani 1 1 d . . . . .
Li2 Li 0.5133(7) 0.2156(5) 0.2862(4) 0.0434(13) Uani 1 1 d . . . . .
N2 N 0.6750(3) 0.23809(18) 0.16676(15) 0.0244(5) Uani 1 1 d . . . . .
C10 C 0.5960(4) 0.2651(2) 0.0807(2) 0.0315(6) Uani 1 1 d . . . . .
C11 C 0.6867(5) 0.3444(3) 0.0024(2) 0.0503(9) Uani 1 1 d . . . . .
H11A H 0.708476 0.414205 0.032162 0.075 Uiso 1 1 calc R U . . .
H11B H 0.619267 0.366637 -0.046877 0.075 Uiso 1 1 calc R U . . .
H11C H 0.790030 0.302987 -0.027963 0.075 Uiso 1 1 calc R U . . .
C12 C 0.4284(4) 0.3281(3) 0.1177(3) 0.0462(8) Uani 1 1 d . . . . .
H12A H 0.364549 0.277486 0.164659 0.069 Uiso 1 1 calc R U . . .
H12B H 0.371700 0.348293 0.063212 0.069 Uiso 1 1 calc R U . . .
H12C H 0.441505 0.399061 0.149147 0.069 Uiso 1 1 calc R U . . .
C13 C 0.5694(4) 0.1529(3) 0.0344(2) 0.0421(8) Uani 1 1 d . . . . .
H13A H 0.484981 0.112871 0.078862 0.051 Uiso 1 1 calc R U . . .
H13B H 0.528462 0.173212 -0.026622 0.051 Uiso 1 1 calc R U . . .
C14 C 0.7878(4) 0.0426(3) 0.1059(2) 0.0418(8) Uani 1 1 d . . . . .
H14A H 0.890752 -0.008908 0.091770 0.050 Uiso 1 1 calc R U . . .
H14B H 0.708041 -0.000272 0.151396 0.050 Uiso 1 1 calc R U . . .
C15 C 0.7237(4) 0.0708(3) 0.0130(2) 0.0476(8) Uani 1 1 d . . . . .
H15A H 0.700010 -0.001263 -0.014059 0.057 Uiso 1 1 calc R U . . .
H15B H 0.806422 0.107478 -0.035341 0.057 Uiso 1 1 calc R U . . .
C16 C 0.8195(4) 0.1507(2) 0.1550(2) 0.0326(6) Uani 1 1 d . . . . .
C17 C 0.9787(4) 0.1958(3) 0.1014(3) 0.0505(9) Uani 1 1 d . . . . .
H17A H 0.971735 0.212001 0.033070 0.076 Uiso 1 1 calc R U . . .
H17B H 1.070172 0.137073 0.106303 0.076 Uiso 1 1 calc R U . . .
H17C H 0.995827 0.267201 0.130760 0.076 Uiso 1 1 calc R U . . .
C18 C 0.8454(5) 0.1129(3) 0.2583(3) 0.0526(9) Uani 1 1 d . . . . .
H18A H 0.746733 0.081888 0.294505 0.079 Uiso 1 1 calc R U . . .
H18B H 0.868393 0.179939 0.291241 0.079 Uiso 1 1 calc R U . . .
H18C H 0.937650 0.052857 0.254811 0.079 Uiso 1 1 calc R U . . .
O1 O 0.4016(14) 0.0817(9) 0.3370(7) 0.051(3) Uani 0.450(10) 1 d D U P A 1
C19 C 0.347(2) 0.0625(11) 0.4393(7) 0.094(4) Uani 0.450(10) 1 d D U P A 1
H19A H 0.434847 0.071661 0.475446 0.113 Uiso 0.450(10) 1 calc R U P A 1
H19B H 0.251863 0.118440 0.463271 0.113 Uiso 0.450(10) 1 calc R U P A 1
C20 C 0.3016(16) -0.0536(10) 0.4512(7) 0.083(3) Uani 0.450(10) 1 d D U P A 1
H20A H 0.394486 -0.108282 0.464486 0.099 Uiso 0.450(10) 1 calc R U P A 1
H20B H 0.208886 -0.059661 0.505743 0.099 Uiso 0.450(10) 1 calc R U P A 1
C21 C 0.2592(7) -0.0771(4) 0.3678(4) 0.0976(16) Uani 0.450(10) 1 d D U P A 1
H21A H 0.139168 -0.064347 0.373880 0.117 Uiso 0.450(10) 1 calc R U P A 1
H21B H 0.293620 -0.159482 0.353038 0.117 Uiso 0.450(10) 1 calc R U P A 1
C22 C 0.3366(5) -0.0021(3) 0.2884(3) 0.0648(11) Uani 0.450(10) 1 d D U P A 1
H22A H 0.424146 -0.047014 0.244232 0.078 Uiso 0.450(10) 1 calc R U P A 1
H22B H 0.255492 0.035532 0.250652 0.078 Uiso 0.450(10) 1 calc R U P A 1
O1' O 0.3527(12) 0.1030(8) 0.3292(7) 0.056(2) Uani 0.550(10) 1 d D U P A 2
C19' C 0.2349(12) 0.1111(7) 0.4168(6) 0.071(3) Uani 0.550(10) 1 d D U P A 2
H19C H 0.138977 0.164794 0.406882 0.085 Uiso 0.550(10) 1 calc R U P A 2
H19D H 0.282755 0.140862 0.468883 0.085 Uiso 0.550(10) 1 calc R U P A 2
C20' C 0.1871(15) -0.0041(7) 0.4433(7) 0.095(3) Uani 0.550(10) 1 d D U P A 2
H20C H 0.223928 -0.032396 0.504106 0.114 Uiso 0.550(10) 1 calc R U P A 2
H20D H 0.066923 -0.002833 0.453592 0.114 Uiso 0.550(10) 1 calc R U P A 2
C21' C 0.2592(7) -0.0771(4) 0.3678(4) 0.0976(16) Uani 0.550(10) 1 d D U P A 2
H21C H 0.175714 -0.118530 0.346192 0.117 Uiso 0.550(10) 1 calc R U P A 2
H21D H 0.341693 -0.135132 0.389367 0.117 Uiso 0.550(10) 1 calc R U P A 2
C22' C 0.3366(5) -0.0021(3) 0.2884(3) 0.0648(11) Uani 0.550(10) 1 d D U P A 2
H22C H 0.444938 -0.039029 0.258533 0.078 Uiso 0.550(10) 1 calc R U P A 2
H22D H 0.268135 0.011675 0.237825 0.078 Uiso 0.550(10) 1 calc R U P A 2
N3 N 0.4509(4) 0.3898(3) 0.4683(2) 0.0634(10) Uani 1 1 d . . . . .
C23 C 0.4705(5) 0.3276(3) 0.4062(2) 0.0591(11) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 N1 2.134(2) . ?
Ag1 N2 2.147(2) . ?
Ag1 Li2 2.874(5) . ?
Ag1 Li1 2.994(5) . ?
N1 C7 1.479(4) . ?
N1 C1 1.484(3) . ?
N1 Li1 1.957(5) . ?
C1 C3 1.524(5) . ?
C1 C4 1.536(4) . ?
C1 C2 1.545(4) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C5 1.512(5) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.511(4) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.540(4) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C9 1.534(4) . ?
C7 C8 1.544(4) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
Li1 N3 2.014(6) 2_666 ?
Li1 N3 2.125(6) . ?
Li1 C23 2.612(6) . ?
Li1 Li1 2.857(10) 2_666 ?
Li2 O1 1.933(11) . ?
Li2 O1' 1.967(10) . ?
Li2 N2 1.976(5) . ?
Li2 C23 2.139(6) . ?
N2 C16 1.485(3) . ?
N2 C10 1.488(3) . ?
C10 C12 1.527(4) . ?
C10 C11 1.537(4) . ?
C10 C13 1.541(4) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C15 1.515(4) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.510(5) . ?
C14 C16 1.533(4) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.535(4) . ?
C16 C18 1.540(4) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
O1 C22 1.425(10) . ?
O1 C19 1.438(11) . ?
C19 C20 1.430(11) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.336(10) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.472(6) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
O1' C22' 1.405(9) . ?
O1' C19' 1.429(9) . ?
C19' C20' 1.445(9) . ?
C19' H19C 0.9900 . ?
C19' H19D 0.9900 . ?
C20' C21' 1.399(9) . ?
C20' H20C 0.9900 . ?
C20' H20D 0.9900 . ?
C21' C22' 1.472(6) . ?
C21' H21C 0.9900 . ?
C21' H21D 0.9900 . ?
C22' H22C 0.9900 . ?
C22' H22D 0.9900 . ?
N3 C23 1.140(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
N1 Ag1 N2 176.01(8) . . ?
N1 Ag1 Li2 132.61(11) . . ?
N2 Ag1 Li2 43.41(11) . . ?
N1 Ag1 Li1 40.71(11) . . ?
N2 Ag1 Li1 135.30(11) . . ?
Li2 Ag1 Li1 91.94(14) . . ?
C7 N1 C1 116.6(2) . . ?
C7 N1 Li1 109.7(2) . . ?
C1 N1 Li1 109.4(3) . . ?
C7 N1 Ag1 112.45(16) . . ?
C1 N1 Ag1 112.34(16) . . ?
Li1 N1 Ag1 93.96(17) . . ?
N1 C1 C3 106.9(2) . . ?
N1 C1 C4 110.4(2) . . ?
C3 C1 C4 107.8(3) . . ?
N1 C1 C2 114.7(3) . . ?
C3 C1 C2 106.9(3) . . ?
C4 C1 C2 109.8(3) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C5 C4 C1 112.9(3) . . ?
C5 C4 H4A 109.0 . . ?
C1 C4 H4A 109.0 . . ?
C5 C4 H4B 109.0 . . ?
C1 C4 H4B 109.0 . . ?
H4A C4 H4B 107.8 . . ?
C6 C5 C4 109.1(3) . . ?
C6 C5 H5A 109.9 . . ?
C4 C5 H5A 109.9 . . ?
C6 C5 H5B 109.9 . . ?
C4 C5 H5B 109.9 . . ?
H5A C5 H5B 108.3 . . ?
C5 C6 C7 112.9(3) . . ?
C5 C6 H6A 109.0 . . ?
C7 C6 H6A 109.0 . . ?
C5 C6 H6B 109.0 . . ?
C7 C6 H6B 109.0 . . ?
H6A C6 H6B 107.8 . . ?
N1 C7 C9 106.3(2) . . ?
N1 C7 C6 110.9(2) . . ?
C9 C7 C6 107.9(2) . . ?
N1 C7 C8 115.3(3) . . ?
C9 C7 C8 106.7(3) . . ?
C6 C7 C8 109.3(3) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N1 Li1 N3 129.2(3) . 2_666 ?
N1 Li1 N3 138.0(3) . . ?
N3 Li1 N3 92.7(2) 2_666 . ?
N1 Li1 C23 112.7(2) . . ?
N3 Li1 C23 118.0(2) 2_666 . ?
N3 Li1 C23 25.27(11) . . ?
N1 Li1 Li1 176.2(4) . 2_666 ?
N3 Li1 Li1 47.97(16) 2_666 2_666 ?
N3 Li1 Li1 44.75(16) . 2_666 ?
C23 Li1 Li1 70.0(2) . 2_666 ?
N1 Li1 Ag1 45.34(12) . . ?
N3 Li1 Ag1 174.3(2) 2_666 . ?
N3 Li1 Ag1 92.69(18) . . ?
C23 Li1 Ag1 67.42(13) . . ?
Li1 Li1 Ag1 137.4(3) 2_666 . ?
O1 Li2 N2 130.9(4) . . ?
O1' Li2 N2 134.1(4) . . ?
O1 Li2 C23 103.8(4) . . ?
O1' Li2 C23 102.0(3) . . ?
N2 Li2 C23 123.9(3) . . ?
O1 Li2 Ag1 169.8(5) . . ?
O1' Li2 Ag1 175.4(4) . . ?
N2 Li2 Ag1 48.31(13) . . ?
C23 Li2 Ag1 75.60(17) . . ?
C16 N2 C10 116.8(2) . . ?
C16 N2 Li2 114.4(2) . . ?
C10 N2 Li2 111.9(2) . . ?
C16 N2 Ag1 111.16(16) . . ?
C10 N2 Ag1 110.74(15) . . ?
Li2 N2 Ag1 88.29(17) . . ?
N2 C10 C12 106.5(2) . . ?
N2 C10 C11 114.8(2) . . ?
C12 C10 C11 107.5(3) . . ?
N2 C10 C13 110.8(2) . . ?
C12 C10 C13 107.6(2) . . ?
C11 C10 C13 109.3(2) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C15 C13 C10 112.7(3) . . ?
C15 C13 H13A 109.1 . . ?
C10 C13 H13A 109.1 . . ?
C15 C13 H13B 109.1 . . ?
C10 C13 H13B 109.1 . . ?
H13A C13 H13B 107.8 . . ?
C15 C14 C16 113.0(3) . . ?
C15 C14 H14A 109.0 . . ?
C16 C14 H14A 109.0 . . ?
C15 C14 H14B 109.0 . . ?
C16 C14 H14B 109.0 . . ?
H14A C14 H14B 107.8 . . ?
C14 C15 C13 108.8(3) . . ?
C14 C15 H15A 109.9 . . ?
C13 C15 H15A 109.9 . . ?
C14 C15 H15B 109.9 . . ?
C13 C15 H15B 109.9 . . ?
H15A C15 H15B 108.3 . . ?
N2 C16 C14 111.4(2) . . ?
N2 C16 C17 114.9(2) . . ?
C14 C16 C17 109.6(2) . . ?
N2 C16 C18 106.0(2) . . ?
C14 C16 C18 107.4(2) . . ?
C17 C16 C18 107.0(3) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C22 O1 C19 107.2(7) . . ?
C22 O1 Li2 130.4(7) . . ?
C19 O1 Li2 121.7(7) . . ?
C20 C19 O1 106.1(8) . . ?
C20 C19 H19A 110.5 . . ?
O1 C19 H19A 110.5 . . ?
C20 C19 H19B 110.5 . . ?
O1 C19 H19B 110.5 . . ?
H19A C19 H19B 108.7 . . ?
C21 C20 C19 105.8(7) . . ?
C21 C20 H20A 110.6 . . ?
C19 C20 H20A 110.6 . . ?
C21 C20 H20B 110.6 . . ?
C19 C20 H20B 110.6 . . ?
H20A C20 H20B 108.7 . . ?
C20 C21 C22 110.2(5) . . ?
C20 C21 H21A 109.6 . . ?
C22 C21 H21A 109.6 . . ?
C20 C21 H21B 109.6 . . ?
C22 C21 H21B 109.6 . . ?
H21A C21 H21B 108.1 . . ?
O1 C22 C21 103.8(5) . . ?
O1 C22 H22A 111.0 . . ?
C21 C22 H22A 111.0 . . ?
O1 C22 H22B 111.0 . . ?
C21 C22 H22B 111.0 . . ?
H22A C22 H22B 109.0 . . ?
C22' O1' C19' 106.5(6) . . ?
C22' O1' Li2 129.3(6) . . ?
C19' O1' Li2 124.0(6) . . ?
O1' C19' C20' 107.4(6) . . ?
O1' C19' H19C 110.2 . . ?
C20' C19' H19C 110.2 . . ?
O1' C19' H19D 110.2 . . ?
C20' C19' H19D 110.2 . . ?
H19C C19' H19D 108.5 . . ?
C21' C20' C19' 108.1(6) . . ?
C21' C20' H20C 110.1 . . ?
C19' C20' H20C 110.1 . . ?
C21' C20' H20D 110.1 . . ?
C19' C20' H20D 110.1 . . ?
H20C C20' H20D 108.4 . . ?
C20' C21' C22' 106.4(5) . . ?
C20' C21' H21C 110.4 . . ?
C22' C21' H21C 110.4 . . ?
C20' C21' H21D 110.4 . . ?
C22' C21' H21D 110.4 . . ?
H21C C21' H21D 108.6 . . ?
O1' C22' C21' 106.9(5) . . ?
O1' C22' H22C 110.3 . . ?
C21' C22' H22C 110.3 . . ?
O1' C22' H22D 110.3 . . ?
C21' C22' H22D 110.3 . . ?
H22C C22' H22D 108.6 . . ?
C23 N3 Li1 170.6(3) . 2_666 ?
C23 N3 Li1 102.0(3) . . ?
Li1 N3 Li1 87.3(2) 2_666 . ?
N3 C23 Li2 177.8(3) . . ?
N3 C23 Li1 52.7(2) . . ?
Li2 C23 Li1 125.0(2) . . ?

_refine_diff_density_max         0.486
_refine_diff_density_min         -0.377
_refine_diff_density_rms         0.068

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_aw1526
_database_code_depnum_ccdc_archive 'CCDC 1919740'
loop_
_audit_author_name
_audit_author_address
'Andrew Peel'
;Dept of Chemistry, University of Cambridge
United Kingdom
;
_audit_update_record             
;
2019-05-30 deposited with the CCDC.	2020-01-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H72 Ag2 Li2 N4'
_chemical_formula_sum            'C36 H72 Ag2 Li2 N4'
_chemical_formula_weight         790.59

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Li Li 0.0008 0.0003 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.1326(5)
_cell_length_b                   8.3936(2)
_cell_length_c                   22.8868(6)
_cell_angle_alpha                90
_cell_angle_beta                 109.5610(10)
_cell_angle_gamma                90
_cell_volume                     4006.34(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    180(2)
_cell_measurement_reflns_used    9366
_cell_measurement_theta_min      4.100
_cell_measurement_theta_max      66.50

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_F_000             1664
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    8.026
_shelx_estimated_absorpt_T_min   0.472
_shelx_estimated_absorpt_T_max   0.690
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6286
_exptl_absorpt_correction_T_max  0.7528
_exptl_absorpt_process_details   
;
multi-scan from symmetry-related measurements 'SADABS (Bruker, 2016)' 
;

_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      180(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'Incoatec I\mS Cu microsource'
_diffrn_measurement_device_type  'Bruker D8-QUEST PHOTON-100'
_diffrn_measurement_method       'Thin slice ω and φ scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            18817
_diffrn_reflns_av_unetI/netI     0.0315
_diffrn_reflns_av_R_equivalents  0.0489
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         4.100
_diffrn_reflns_theta_max         66.621
_diffrn_reflns_theta_full        66.621
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             3517
_reflns_number_gt                3045
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.

Ag1 and Li1 were modelled as disordered in accordance with 1:1 
stoichiometry. The refined occupanies indicate major:minor occupancies 
of 96:4 for Ag1 and Li1, respectively. 
;

_computing_data_collection       'APEX3 (Bruker, 2016)'
_computing_cell_refinement       'SAINT (Bruker, 2016)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  SHELXL
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0203P)²+2.0569P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3517
_refine_ls_number_parameters     208
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0257
_refine_ls_wR_factor_ref         0.0537
_refine_ls_wR_factor_gt          0.0517
_refine_ls_goodness_of_fit_ref   1.128
_refine_ls_restrained_S_all      1.128
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.40740(2) 0.38427(2) 0.24413(2) 0.01905(7) Uani 0.9450(8) 1 d . . P A 1
Li1 Li 0.52697(8) 0.3837(2) 0.34630(8) 0.0181(6) Uani 0.9450(8) 1 d . . P A 1
Li1' Li 0.40740(2) 0.38427(2) 0.24413(2) 0.01905(7) Uani 0.0550(8) 1 d . . P A
2
Ag1' Ag 0.52697(8) 0.3837(2) 0.34630(8) 0.0181(6) Uani 0.0550(8) 1 d . . P A 2
N2 N 0.43607(10) 0.3115(2) 0.33852(10) 0.0221(5) Uani 1 1 d . . . . .
C10 C 0.41174(13) 0.4173(3) 0.37823(14) 0.0271(6) Uani 1 1 d . . . . .
C11 C 0.33845(14) 0.4458(4) 0.35458(16) 0.0406(8) Uani 1 1 d . . . . .
H11A H 0.324450 0.476066 0.310703 0.061 Uiso 1 1 calc R U . . .
H11B H 0.328026 0.531553 0.378678 0.061 Uiso 1 1 calc R U . . .
H11C H 0.316447 0.347914 0.359368 0.061 Uiso 1 1 calc R U . . .
C12 C 0.44260(15) 0.5809(3) 0.37977(15) 0.0368(7) Uani 1 1 d . . . . .
H12A H 0.489340 0.570700 0.397289 0.055 Uiso 1 1 calc R U . A 1
H12B H 0.427542 0.653522 0.405487 0.055 Uiso 1 1 calc R U . A 1
H12C H 0.430710 0.623329 0.337532 0.055 Uiso 1 1 calc R U . A 1
C13 C 0.43342(15) 0.3550(3) 0.44506(14) 0.0373(7) Uani 1 1 d . . . . .
H13A H 0.480511 0.367020 0.463540 0.045 Uiso 1 1 calc R U . . .
H13B H 0.413551 0.420954 0.469577 0.045 Uiso 1 1 calc R U . . .
C14 C 0.41594(19) 0.1815(4) 0.44974(16) 0.0466(9) Uani 1 1 d . . . . .
H14A H 0.368733 0.169304 0.435492 0.056 Uiso 1 1 calc R U . . .
H14B H 0.433455 0.145403 0.493380 0.056 Uiso 1 1 calc R U . . .
C15 C 0.44389(17) 0.0812(3) 0.40940(15) 0.0405(8) Uani 1 1 d . . . . .
H15A H 0.430609 -0.031070 0.410413 0.049 Uiso 1 1 calc R U . . .
H15B H 0.491274 0.085333 0.426793 0.049 Uiso 1 1 calc R U . . .
C16 C 0.42213(13) 0.1386(3) 0.34193(14) 0.0284(6) Uani 1 1 d . . . . .
C17 C 0.35148(15) 0.0890(4) 0.30852(17) 0.0420(8) Uani 1 1 d . . . . .
H17A H 0.336523 0.134149 0.266613 0.063 Uiso 1 1 calc R U . . .
H17B H 0.324707 0.128994 0.331851 0.063 Uiso 1 1 calc R U . . .
H17C H 0.348528 -0.027413 0.305981 0.063 Uiso 1 1 calc R U . . .
C18 C 0.46103(14) 0.0473(4) 0.30866(15) 0.0352(7) Uani 1 1 d . . . . .
H18A H 0.506551 0.074200 0.327424 0.053 Uiso 1 1 calc R U . . .
H18B H 0.446218 0.076853 0.264693 0.053 Uiso 1 1 calc R U . . .
H18C H 0.455217 -0.067435 0.312572 0.053 Uiso 1 1 calc R U . . .
N1 N 0.38472(9) 0.4540(3) 0.14975(10) 0.0214(5) Uani 1 1 d . . . . .
C1 C 0.33638(13) 0.3486(3) 0.10567(13) 0.0300(6) Uani 1 1 d . . . . .
C8 C 0.36618(17) 0.1825(4) 0.11074(16) 0.0453(8) Uani 1 1 d . . . . .
H8A H 0.404954 0.187661 0.099179 0.068 Uiso 1 1 calc R U . . .
H8B H 0.335325 0.109301 0.082785 0.068 Uiso 1 1 calc R U . . .
H8C H 0.377338 0.144104 0.153491 0.068 Uiso 1 1 calc R U . . .
C9 C 0.27246(15) 0.3283(4) 0.11876(16) 0.0466(9) Uani 1 1 d . . . . .
H9A H 0.281570 0.311220 0.163251 0.070 Uiso 1 1 calc R U . . .
H9B H 0.249088 0.236324 0.095648 0.070 Uiso 1 1 calc R U . . .
H9C H 0.246337 0.424524 0.105671 0.070 Uiso 1 1 calc R U . . .
C7 C 0.32355(14) 0.4056(3) 0.03884(14) 0.0350(7) Uani 1 1 d . . . . .
H7A H 0.362742 0.389216 0.027861 0.042 Uiso 1 1 calc R U . . .
H7B H 0.289051 0.339575 0.010451 0.042 Uiso 1 1 calc R U . . .
C6 C 0.30421(14) 0.5795(4) 0.02903(15) 0.0383(8) Uani 1 1 d . . . . .
H6A H 0.262251 0.595173 0.034832 0.046 Uiso 1 1 calc R U . . .
H6B H 0.299964 0.611857 -0.013761 0.046 Uiso 1 1 calc R U . . .
C5 C 0.35513(13) 0.6810(3) 0.07548(14) 0.0323(7) Uani 1 1 d . . . . .
H5A H 0.340681 0.793365 0.071299 0.039 Uiso 1 1 calc R U . . .
H5B H 0.395294 0.675828 0.065511 0.039 Uiso 1 1 calc R U . . .
C4 C 0.36900(11) 0.6274(3) 0.14288(13) 0.0245(6) Uani 1 1 d . . . . .
C2 C 0.42762(13) 0.7176(3) 0.18367(14) 0.0299(7) Uani 1 1 d . . . . .
H2A H 0.465140 0.687140 0.172596 0.045 Uiso 1 1 calc R U . . .
H2B H 0.435222 0.691422 0.227281 0.045 Uiso 1 1 calc R U . . .
H2C H 0.420236 0.832468 0.177406 0.045 Uiso 1 1 calc R U . . .
C3 C 0.31327(13) 0.6814(4) 0.16467(15) 0.0370(7) Uani 1 1 d . . . . .
H3A H 0.318450 0.633924 0.205192 0.056 Uiso 1 1 calc R U . . .
H3B H 0.272433 0.646613 0.134531 0.056 Uiso 1 1 calc R U . . .
H3C H 0.313579 0.797756 0.168126 0.056 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 N2 2.127(2) . ?
Ag1 N1 2.129(2) . ?
Ag1 Li1 2.8858(17) . ?
Ag1 Li1 2.8992(18) 2_655 ?
Li1 N1 2.014(3) 2_655 ?
Li1 N2 2.051(3) . ?
Li1 C12 2.788(4) . ?
Li1' N2 2.127(2) . ?
Li1' N1 2.129(2) . ?
Li1' Ag1' 2.8858(17) . ?
Ag1' N1 2.014(3) 2_655 ?
Ag1' N2 2.051(3) . ?
N2 C16 1.491(3) . ?
N2 C10 1.494(3) . ?
C10 C12 1.528(4) . ?
C10 C13 1.534(4) . ?
C10 C11 1.547(4) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.520(4) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.525(4) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.533(4) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C18 1.532(4) . ?
C16 C17 1.550(4) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
N1 C1 1.490(3) . ?
N1 C4 1.493(3) . ?
C1 C8 1.530(4) . ?
C1 C7 1.536(4) . ?
C1 C9 1.550(4) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C7 C6 1.516(4) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C6 C5 1.525(4) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C5 C4 1.536(4) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C4 C2 1.522(4) . ?
C4 C3 1.545(4) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?

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
N2 Ag1 N1 176.37(8) . . ?
N2 Ag1 Li1 45.23(6) . . ?
N1 Ag1 Li1 131.55(6) . . ?
N2 Ag1 Li1 132.39(6) . 2_655 ?
N1 Ag1 Li1 44.00(6) . 2_655 ?
Li1 Ag1 Li1 92.05(5) . 2_655 ?
N1 Li1 N2 177.72(14) 2_655 . ?
N1 Li1 C12 122.89(12) 2_655 . ?
N2 Li1 C12 58.09(9) . . ?
N1 Li1 Ag1 130.44(10) 2_655 . ?
N2 Li1 Ag1 47.42(7) . . ?
C12 Li1 Ag1 72.83(8) . . ?
N1 Li1 Ag1 47.24(7) 2_655 2_655 ?
N2 Li1 Ag1 130.52(10) . 2_655 ?
C12 Li1 Ag1 137.48(10) . 2_655 ?
Ag1 Li1 Ag1 87.95(5) . 2_655 ?
N2 Li1' N1 176.37(8) . . ?
N2 Li1' Ag1' 45.23(6) . . ?
N1 Li1' Ag1' 131.55(6) . . ?
N1 Ag1' N2 177.72(14) 2_655 . ?
N1 Ag1' Li1' 130.44(10) 2_655 . ?
N2 Ag1' Li1' 47.42(7) . . ?
C16 N2 C10 115.1(2) . . ?
C16 N2 Li1 119.82(17) . . ?
C10 N2 Li1 108.31(16) . . ?
C16 N2 Ag1' 119.82(17) . . ?
C10 N2 Ag1' 108.31(16) . . ?
C16 N2 Ag1 109.64(17) . . ?
C10 N2 Ag1 113.66(16) . . ?
Li1 N2 Ag1 87.35(9) . . ?
C16 N2 Li1' 109.64(17) . . ?
C10 N2 Li1' 113.66(16) . . ?
Ag1' N2 Li1' 87.35(9) . . ?
N2 C10 C12 107.4(2) . . ?
N2 C10 C13 110.3(2) . . ?
C12 C10 C13 107.2(2) . . ?
N2 C10 C11 115.3(2) . . ?
C12 C10 C11 106.1(2) . . ?
C13 C10 C11 110.1(2) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 Li1 78.21(15) . . ?
C10 C12 H12A 109.5 . . ?
Li1 C12 H12A 49.3 . . ?
C10 C12 H12B 109.5 . . ?
Li1 C12 H12B 158.1 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
Li1 C12 H12C 85.9 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C10 113.3(3) . . ?
C14 C13 H13A 108.9 . . ?
C10 C13 H13A 108.9 . . ?
C14 C13 H13B 108.9 . . ?
C10 C13 H13B 108.9 . . ?
H13A C13 H13B 107.7 . . ?
C13 C14 C15 108.8(3) . . ?
C13 C14 H14A 109.9 . . ?
C15 C14 H14A 109.9 . . ?
C13 C14 H14B 109.9 . . ?
C15 C14 H14B 109.9 . . ?
H14A C14 H14B 108.3 . . ?
C14 C15 C16 112.5(3) . . ?
C14 C15 H15A 109.1 . . ?
C16 C15 H15A 109.1 . . ?
C14 C15 H15B 109.1 . . ?
C16 C15 H15B 109.1 . . ?
H15A C15 H15B 107.8 . . ?
N2 C16 C18 107.5(2) . . ?
N2 C16 C15 111.0(2) . . ?
C18 C16 C15 107.7(2) . . ?
N2 C16 C17 115.3(2) . . ?
C18 C16 C17 105.2(2) . . ?
C15 C16 C17 109.7(2) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C1 N1 C4 114.7(2) . . ?
C1 N1 Li1 108.82(17) . 2_655 ?
C4 N1 Li1 118.60(16) . 2_655 ?
C1 N1 Ag1 113.30(16) . . ?
C4 N1 Ag1 110.02(16) . . ?
Li1 N1 Ag1 88.76(9) 2_655 . ?
C1 N1 Li1' 113.30(16) . . ?
C4 N1 Li1' 110.02(16) . . ?
N1 C1 C8 107.2(2) . . ?
N1 C1 C7 109.9(2) . . ?
C8 C1 C7 106.9(3) . . ?
N1 C1 C9 115.4(2) . . ?
C8 C1 C9 106.4(3) . . ?
C7 C1 C9 110.5(2) . . ?
C1 C8 H8A 109.5 . . ?
C1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C1 C9 H9A 109.5 . . ?
C1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6 C7 C1 113.3(3) . . ?
C6 C7 H7A 108.9 . . ?
C1 C7 H7A 108.9 . . ?
C6 C7 H7B 108.9 . . ?
C1 C7 H7B 108.9 . . ?
H7A C7 H7B 107.7 . . ?
C7 C6 C5 109.2(2) . . ?
C7 C6 H6A 109.8 . . ?
C5 C6 H6A 109.8 . . ?
C7 C6 H6B 109.8 . . ?
C5 C6 H6B 109.8 . . ?
H6A C6 H6B 108.3 . . ?
C6 C5 C4 112.9(2) . . ?
C6 C5 H5A 109.0 . . ?
C4 C5 H5A 109.0 . . ?
C6 C5 H5B 109.0 . . ?
C4 C5 H5B 109.0 . . ?
H5A C5 H5B 107.8 . . ?
N1 C4 C2 107.4(2) . . ?
N1 C4 C5 110.6(2) . . ?
C2 C4 C5 108.2(2) . . ?
N1 C4 C3 115.8(2) . . ?
C2 C4 C3 105.4(2) . . ?
C5 C4 C3 109.0(2) . . ?
C4 C2 H2A 109.5 . . ?
C4 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C4 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 H3A 109.5 . . ?
C4 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C4 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?

_refine_diff_density_max         0.295
_refine_diff_density_min         -0.496
_refine_diff_density_rms         0.074

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_exp_28
_database_code_depnum_ccdc_archive 'CCDC 1957572'
loop_
_audit_author_name
_audit_author_address
'Kazunori Miyamoto'
;Graduate School of Pharmaceutical Sciences, The University of Tokyo
Japan
;
_audit_update_record             
;
2019-10-18 deposited with the CCDC.	2020-01-03 downloaded from the CCDC.
;
_audit_creation_date             2019-10-18
_audit_creation_method           
;
Olex2 1.2-ac3
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H44 Ag Li N2 O3, 2(C6 H6)'
_chemical_formula_sum            'C42 H56 Ag Li N2 O3'
_chemical_formula_weight         751.69
_chemical_melting_point          ?
_chemical_oxdiff_formula         C36H50Ag1Li1N2O3
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li 0.0008 0.0003 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   12.4986(2)
_cell_length_b                   14.8962(2)
_cell_length_c                   21.7554(4)
_cell_angle_alpha                90
_cell_angle_beta                 93.742(2)
_cell_angle_gamma                90
_cell_volume                     4041.82(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    16840
_cell_measurement_temperature    90
_cell_measurement_theta_max      77.1570
_cell_measurement_theta_min      3.5550
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.283
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.480
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45g (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.235
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1584
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
2 -9 2 0.1473
-6 1 -10 0.0960
-4 8 -5 0.0808
-1 10 1 0.0894
6 -1 10 0.0661
0 -9 -3 0.1329
6 1 -10 0.0608
-2 9 6 0.0796
-6 -5 8 0.1282
-2 1 14 0.0726
0 -8 8 0.1269
2 0 13 0.0679
-2 1 -13 0.0992
1 8 8 0.0807
-7 1 -4 0.0935
-5 8 -1 0.0840
-8 2 3 0.0729
-6 1 10 0.0735
7 0 6 0.0611

_exptl_crystal_size_max          0.231
_exptl_crystal_size_mid          0.165
_exptl_crystal_size_min          0.162
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
2.2512 -9.1678 1.9345 -0.1119 -0.4611 0.8803
-5.5830 0.7488 -9.5245 0.2312 0.9669 0.1079
-3.8572 7.6254 -5.0523 0.1747 0.7251 -0.6661
-0.8001 9.6150 0.6791 0.0531 0.2150 -0.9752
5.5773 -0.5108 9.5658 -0.2305 -0.9640 -0.1325
-0.1421 -9.3982 -3.2943 -0.0503 0.0104 0.9987
5.8965 1.4861 -10.1092 -0.9710 0.2325 -0.0552
-1.6380 8.5269 6.1865 0.3401 -0.0798 -0.9370
-5.9580 -5.0341 8.0349 0.9234 -0.1784 0.4442
-1.9721 0.9623 14.0046 0.6930 -0.6826 -0.2813
0.0386 -8.0083 7.9812 0.3228 -0.6472 0.6951
2.0209 -0.0194 12.9712 0.2522 -0.9143 -0.2009
-2.0238 1.0184 -12.9698 -0.2574 0.9352 0.0999
0.9900 7.9789 7.9953 0.1376 -0.3791 -0.9297
-6.9965 0.9808 -3.9371 0.5728 0.7342 0.0163
-5.0152 7.9749 -0.9466 0.4369 0.5661 -0.7505
-7.9840 1.9614 3.0659 0.9167 0.4034 -0.1748
-5.9717 0.9555 10.0414 0.9629 -0.1723 -0.1900
6.9974 0.0140 5.9366 -0.5076 -0.8331 -0.1456

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0348
_diffrn_reflns_av_unetI/netI     0.0303
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            27075
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.112
_diffrn_reflns_theta_min         3.599
_diffrn_ambient_temperature      90
_diffrn_detector                 'Rigaku HyPix-6000 area detector'
_diffrn_detector_area_resol_mean 10.0
_diffrn_detector_type            'HPC area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -44.00 112.00   0.50    0.50    --   39.95 -16.00  19.00  312
  2  ω     33.00 118.00   0.50    1.80    --  115.57 -16.00  19.00  170
  3  ω     75.00 103.00   0.50    1.80    --  115.57 -94.00   0.00   56
  4  ω     49.00  77.00   0.50    1.80    --  115.57 -45.00 -30.00   56
  5  ω     42.00  99.00   0.50    1.80    --  115.57 -94.00 -90.00  114
  6  ω     66.00 108.00   0.50    1.80    --  115.57 -94.00-150.00   84
  7  ω     58.00  84.00   0.50    1.80    --  115.57 -94.00-180.00   52
  8  ω     33.00  58.00   0.50    1.80    --  115.57 -30.00-150.00   50
  9  ω     37.00  72.00   0.50    1.80    --  115.57 -45.00-120.00   70
 10  ω    106.00 177.00   0.50    1.80    --  115.57  16.00-171.00  142
 11  ω     44.00  72.00   0.50    1.80    --  115.57 -94.00   0.00   56
 12  ω     41.00  98.00   0.50    1.80    --  115.57-125.00   0.00  114
 13  ω     34.00  64.00   0.50    1.80    --  115.57 -30.00   0.00   60
 14  ω     40.00  77.00   0.50    1.80    --  115.57 -45.00   0.00   74
 15  ω     40.00  79.00   0.50    1.80    --  115.57 -45.00 -60.00   78
 16  ω     35.00  68.00   0.50    1.80    --  115.57 -30.00 -90.00   66
 17  ω     34.00  68.00   0.50    1.80    --  115.57 -30.00-120.00   68
 18  ω    -71.00 -46.00   0.50    0.50    --  -39.95 -16.00  19.00   50
 19  ω    -64.00  -3.00   0.50    1.80    --  -84.50  30.00 -30.00  122
 20  ω   -106.00 -81.00   0.50    1.80    --  -84.50  16.00-171.00   50
 21  ω   -117.00 -78.00   0.50    0.50    --  -39.95  16.00-171.00   78
 22  ω   -143.00 -90.00   0.50    1.80    --  -84.50 -16.00  19.00  106
 23  ω   -114.00 -10.00   0.50    1.80    --  -84.50  61.00  30.00  208
 24  ω   -164.00 -80.00   0.50    1.80    --  -84.50 -94.00 150.00  168
 25  ω   -123.00 -38.00   0.50    0.50    --  -39.95-178.00 120.00  170
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku XtaLAB Synergy-S'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1025727000
_diffrn_orient_matrix_UB_12      -0.0055106000
_diffrn_orient_matrix_UB_13      0.0354156000
_diffrn_orient_matrix_UB_21      -0.0683643000
_diffrn_orient_matrix_UB_22      0.0208910000
_diffrn_orient_matrix_UB_23      -0.0598020000
_diffrn_orient_matrix_UB_31      -0.0084441000
_diffrn_orient_matrix_UB_32      -0.1011134000
_diffrn_orient_matrix_UB_33      -0.0143263000
_diffrn_radiation_monochromator  'multi-layer mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              PhotonJet-S
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7705
_reflns_number_total             8303
_reflns_odcompleteness_completeness 99.99
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     68.13
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.581
_refine_diff_density_min         -1.095
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.962
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     450
_refine_ls_number_reflns         8303
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0349
_refine_ls_R_factor_gt           0.0328
_refine_ls_restrained_S_all      0.962
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1101
_refine_ls_wR_factor_ref         0.1128
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C00F(H00F), C00G(H00G), C00J(H00J), C00N(H00O)
2.b Secondary CH2 refined with riding coordinates:
 C00Q(H00R,H00S), C00V(H00,HC), C012(H01A,H01B), C015(H01C,H01D)
2.c Aromatic/amide H refined with riding coordinates:
 C00C(H00C), C00E(H00E), C00H(H00H), C00I(H00I), C00L(H00L), C00O(H00P),
 C00P(H00Q), C00R(H00T), C00Y(H2AA), C00Z(H3AA), C010(H010), C011(H011),
 C013(H013), C014(H014), C017(H017), C018(H018), C019(H019), C01A(H01H),
 C01B(H01I), C01C(H01J)
2.d Idealised Me refined as rotating group:
 C00K(H00A,H00B,H00D), C00M(H00K,H00M,H00N), C00S(H00U,H00V,H00W), C00T(H00X,
 H00Y,H), C00U(H00Z,HA,HB), C00W(H0AA,HD,HE), C00X(H1AA,HF,HG), C016(H01E,H01F,
 H01G)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag01 Ag 0.58514(2) 0.29356(2) 0.56115(2) 0.02493(8) Uani 1 1 d . . . . .
O002 O 0.55725(12) 0.52234(9) 0.35837(7) 0.0328(3) Uani 1 1 d . . . . .
O003 O 0.66568(13) 0.34961(10) 0.40150(7) 0.0342(3) Uani 1 1 d . . . . .
O004 O 0.70324(13) 0.52663(10) 0.48919(7) 0.0358(3) Uani 1 1 d . . . . .
N005 N 0.48897(13) 0.61585(11) 0.28408(7) 0.0260(3) Uani 1 1 d . . . . .
N006 N 0.66261(14) 0.19907(10) 0.40876(8) 0.0245(3) Uani 1 1 d . . . . .
C20 C 0.74554(17) 0.30328(12) 0.54018(10) 0.0252(4) Uani 1 1 d . . . . .
C008 C 0.57287(16) 0.72342(14) 0.41461(9) 0.0247(4) Uani 1 1 d . . . . .
C009 C 0.55004(15) 0.59969(13) 0.33603(9) 0.0259(4) Uani 1 1 d . . . . .
C00A C 0.78106(17) 0.28634(12) 0.48125(10) 0.0258(4) Uani 1 1 d . . . . .
C00B C 0.61480(15) 0.67416(13) 0.36645(8) 0.0243(3) Uani 1 1 d . . . . .
C00C C 0.82905(16) 0.31842(14) 0.58632(10) 0.0296(4) Uani 1 1 d . . . . .
H00C H 0.810252 0.331580 0.626965 0.035 Uiso 1 1 calc R . . . .
C00D C 0.69875(16) 0.27958(13) 0.42815(9) 0.0259(4) Uani 1 1 d . . . . .
C00E C 0.64434(18) 0.78680(12) 0.44273(10) 0.0281(4) Uani 1 1 d . . . . .
H00E H 0.620836 0.821810 0.475772 0.034 Uiso 1 1 calc R . . . .
C00F C 0.69908(17) 0.11521(13) 0.44033(10) 0.0296(4) Uani 1 1 d . . . . .
H00F H 0.743402 0.133169 0.478272 0.036 Uiso 1 1 calc R . . . .
C00G C 0.58505(17) 0.19071(14) 0.35445(9) 0.0289(4) Uani 1 1 d . . . . .
H00G H 0.570144 0.125147 0.348945 0.035 Uiso 1 1 calc R . . . .
C00H C 0.74774(18) 0.80038(13) 0.42427(11) 0.0309(4) Uani 1 1 d . . . . .
H00H H 0.792918 0.843767 0.444765 0.037 Uiso 1 1 calc R . . . .
C00I C 0.71821(17) 0.68701(15) 0.34732(10) 0.0294(4) Uani 1 1 d . . . . .
H00I H 0.742831 0.652004 0.314584 0.035 Uiso 1 1 calc R . . . .
C00J C 0.43617(17) 0.54042(14) 0.24903(9) 0.0317(4) Uani 1 1 d . . . . .
H00J H 0.400463 0.567051 0.210795 0.038 Uiso 1 1 calc R . . . .
C00K C 0.52025(19) 0.72110(15) 0.19848(10) 0.0340(4) Uani 1 1 d . . . . .
H00A H 0.597065 0.707457 0.203016 0.051 Uiso 1 1 calc GR . . . .
H00B H 0.510120 0.783467 0.184991 0.051 Uiso 1 1 calc GR . . . .
H00D H 0.485171 0.680798 0.167787 0.051 Uiso 1 1 calc GR . . . .
C00L C 0.88922(18) 0.28138(14) 0.46876(11) 0.0309(4) Uani 1 1 d . . . . .
H00L H 0.909101 0.269123 0.428196 0.037 Uiso 1 1 calc R . . . .
C00M C 0.6321(2) 0.22282(18) 0.29532(10) 0.0399(5) Uani 1 1 d . . . . .
H00K H 0.643806 0.287823 0.297513 0.060 Uiso 1 1 calc GR . . . .
H00M H 0.582124 0.208862 0.260020 0.060 Uiso 1 1 calc GR . . . .
H00N H 0.700540 0.192401 0.290452 0.060 Uiso 1 1 calc GR . . . .
C00N C 0.47101(18) 0.70798(12) 0.26026(10) 0.0283(4) Uani 1 1 d . . . . .
H00O H 0.508676 0.749935 0.290339 0.034 Uiso 1 1 calc R . . . .
C00O C 0.93706(17) 0.31491(15) 0.57491(10) 0.0333(4) Uani 1 1 d . . . . .
H00P H 0.990064 0.326437 0.607248 0.040 Uiso 1 1 calc R . . . .
C00P C 0.78503(15) 0.75084(15) 0.37609(10) 0.0326(4) Uani 1 1 d . . . . .
H00Q H 0.855166 0.760451 0.363014 0.039 Uiso 1 1 calc R . . . .
C00Q C 0.8180(2) 0.53188(16) 0.50060(11) 0.0409(5) Uani 1 1 d . . . . .
H00R H 0.849422 0.573011 0.470924 0.049 Uiso 1 1 calc R . . . .
H00S H 0.851093 0.471886 0.497128 0.049 Uiso 1 1 calc R . . . .
C00R C 0.96752(18) 0.29463(13) 0.51646(12) 0.0341(5) Uani 1 1 d . . . . .
H00T H 1.041317 0.289782 0.508931 0.041 Uiso 1 1 calc R . . . .
C00S C 0.47778(17) 0.23531(18) 0.36488(11) 0.0384(5) Uani 1 1 d . . . . .
H00U H 0.454102 0.217327 0.405144 0.058 Uiso 1 1 calc GR . . . .
H00V H 0.424298 0.216535 0.332480 0.058 Uiso 1 1 calc GR . . . .
H00W H 0.486068 0.300694 0.363718 0.058 Uiso 1 1 calc GR . . . .
C00T C 0.3478(2) 0.49635(17) 0.28391(11) 0.0417(5) Uani 1 1 d . . . . .
H00X H 0.380076 0.463257 0.319372 0.063 Uiso 1 1 calc GR . . . .
H00Y H 0.306958 0.454807 0.256459 0.063 Uiso 1 1 calc GR . . . .
H H 0.299724 0.542733 0.298252 0.063 Uiso 1 1 calc GR . . . .
C00U C 0.77147(19) 0.06127(15) 0.40044(12) 0.0396(5) Uani 1 1 d . . . . .
H00Z H 0.731081 0.043489 0.362252 0.059 Uiso 1 1 calc GR . . . .
HA H 0.796932 0.007496 0.422847 0.059 Uiso 1 1 calc GR . . . .
HB H 0.832982 0.098130 0.390542 0.059 Uiso 1 1 calc GR . . . .
C00V C 0.6509(2) 0.57087(16) 0.53820(10) 0.0406(5) Uani 1 1 d . . . . .
H00 H 0.621730 0.526374 0.566479 0.049 Uiso 1 1 calc R . . . .
HC H 0.591675 0.609616 0.521337 0.049 Uiso 1 1 calc R . . . .
C00W C 0.60465(19) 0.06096(15) 0.46122(11) 0.0394(5) Uani 1 1 d . . . . .
H0AA H 0.560342 0.099109 0.486047 0.059 Uiso 1 1 calc GR . . . .
HD H 0.631421 0.009755 0.485983 0.059 Uiso 1 1 calc GR . . . .
HE H 0.561466 0.039127 0.425065 0.059 Uiso 1 1 calc GR . . . .
C00X C 0.5183(2) 0.47268(15) 0.22808(10) 0.0401(5) Uani 1 1 d . . . . .
H1AA H 0.573427 0.504241 0.206397 0.060 Uiso 1 1 calc GR . . . .
HF H 0.482263 0.428737 0.200337 0.060 Uiso 1 1 calc GR . . . .
HG H 0.551893 0.441669 0.264097 0.060 Uiso 1 1 calc GR . . . .
C00Y C 0.8873(2) -0.07729(18) 0.56623(11) 0.0477(6) Uani 1 1 d . . . . .
H2AA H 0.935528 -0.120584 0.551820 0.057 Uiso 1 1 calc R . . . .
C00Z C 0.8444(2) 0.07535(16) 0.58774(11) 0.0414(5) Uani 1 1 d . . . . .
H3AA H 0.862669 0.137253 0.587954 0.050 Uiso 1 1 calc R . . . .
C010 C 0.9142(2) 0.01335(18) 0.56687(10) 0.0439(5) Uani 1 1 d . . . . .
H010 H 0.980973 0.032189 0.552825 0.053 Uiso 1 1 calc R . . . .
C011 C 0.4883(2) 1.01020(18) 0.20918(12) 0.0455(5) Uani 1 1 d . . . . .
H011 H 0.430402 1.043013 0.189718 0.055 Uiso 1 1 calc R . . . .
C012 C 0.7381(2) 0.62631(15) 0.57105(11) 0.0452(6) Uani 1 1 d . . . . .
H01A H 0.746805 0.684881 0.550447 0.054 Uiso 1 1 calc R . . . .
H01B H 0.723423 0.636616 0.614651 0.054 Uiso 1 1 calc R . . . .
C013 C 0.7891(2) -0.10404(16) 0.58689(11) 0.0464(6) Uani 1 1 d . . . . .
H013 H 0.769838 -0.165755 0.586407 0.056 Uiso 1 1 calc R . . . .
C014 C 0.5808(2) 0.99788(17) 0.17969(11) 0.0436(5) Uani 1 1 d . . . . .
H014 H 0.586370 1.021934 0.139586 0.052 Uiso 1 1 calc R . . . .
C015 C 0.8351(2) 0.56763(17) 0.56572(11) 0.0437(5) Uani 1 1 d . . . . .
H01C H 0.837060 0.518367 0.596320 0.052 Uiso 1 1 calc R . . . .
H01D H 0.902223 0.602833 0.571118 0.052 Uiso 1 1 calc R . . . .
C016 C 0.35193(18) 0.73245(16) 0.25701(11) 0.0383(5) Uani 1 1 d . . . . .
H01E H 0.312205 0.691788 0.228405 0.057 Uiso 1 1 calc GR . . . .
H01F H 0.342685 0.794418 0.242497 0.057 Uiso 1 1 calc GR . . . .
H01G H 0.324614 0.726819 0.298046 0.057 Uiso 1 1 calc GR . . . .
C017 C 0.7198(2) -0.04082(17) 0.60805(11) 0.0436(5) Uani 1 1 d . . . . .
H017 H 0.652827 -0.058880 0.622320 0.052 Uiso 1 1 calc R . . . .
C018 C 0.7478(2) 0.04838(17) 0.60842(11) 0.0425(5) Uani 1 1 d . . . . .
H018 H 0.699997 0.091836 0.623103 0.051 Uiso 1 1 calc R . . . .
C019 C 0.6574(3) 0.91643(17) 0.26543(14) 0.0572(8) Uani 1 1 d . . . . .
H019 H 0.715904 0.884222 0.284806 0.069 Uiso 1 1 calc R . . . .
C01A C 0.5655(3) 0.92796(18) 0.29545(12) 0.0637(10) Uani 1 1 d . . . . .
H01H H 0.560410 0.903977 0.335615 0.076 Uiso 1 1 calc R . . . .
C01B C 0.6655(2) 0.95109(17) 0.20749(14) 0.0502(6) Uani 1 1 d . . . . .
H01I H 0.729279 0.942811 0.186711 0.060 Uiso 1 1 calc R . . . .
C01C C 0.4797(3) 0.9749(2) 0.26705(13) 0.0541(7) Uani 1 1 d . . . . .
H01J H 0.415472 0.982505 0.287521 0.065 Uiso 1 1 calc R . . . .
Li1D Li 0.6379(3) 0.4664(2) 0.42057(17) 0.0355(8) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Ag01 C20 2.090(2) . ?
Ag01 C008 2.092(2) 3_666 ?
O002 C009 1.251(2) . ?
O002 Li1D 1.834(4) . ?
O003 C00D 1.251(3) . ?
O003 Li1D 1.827(4) . ?
O004 C00Q 1.441(3) . ?
O004 C00V 1.446(3) . ?
O004 Li1D 1.882(4) . ?
N005 C009 1.344(2) . ?
N005 C00J 1.488(2) . ?
N005 C00N 1.479(2) . ?
N006 C00D 1.340(2) . ?
N006 C00F 1.483(2) . ?
N006 C00G 1.484(2) . ?
C20 C00A 1.407(3) . ?
C20 C00C 1.418(3) . ?
C008 C00B 1.408(3) . ?
C008 C00E 1.411(3) . ?
C009 C00B 1.501(3) . ?
C00A C00D 1.499(3) . ?
C00A C00L 1.398(3) . ?
C00B C00I 1.397(3) . ?
C00C H00C 0.9500 . ?
C00C C00O 1.390(3) . ?
C00E H00E 0.9500 . ?
C00E C00H 1.393(3) . ?
C00F H00F 1.0000 . ?
C00F C00U 1.523(3) . ?
C00F C00W 1.524(3) . ?
C00G H00G 1.0000 . ?
C00G C00M 1.526(3) . ?
C00G C00S 1.526(3) . ?
C00H H00H 0.9500 . ?
C00H C00P 1.387(3) . ?
C00I H00I 0.9500 . ?
C00I C00P 1.387(3) . ?
C00J H00J 1.0000 . ?
C00J C00T 1.528(3) . ?
C00J C00X 1.530(3) . ?
C00K H00A 0.9800 . ?
C00K H00B 0.9800 . ?
C00K H00D 0.9800 . ?
C00K C00N 1.527(3) . ?
C00L H00L 0.9500 . ?
C00L C00R 1.393(3) . ?
C00M H00K 0.9800 . ?
C00M H00M 0.9800 . ?
C00M H00N 0.9800 . ?
C00N H00O 1.0000 . ?
C00N C016 1.529(3) . ?
C00O H00P 0.9500 . ?
C00O C00R 1.384(3) . ?
C00P H00Q 0.9500 . ?
C00Q H00R 0.9900 . ?
C00Q H00S 0.9900 . ?
C00Q C015 1.516(3) . ?
C00R H00T 0.9500 . ?
C00S H00U 0.9800 . ?
C00S H00V 0.9800 . ?
C00S H00W 0.9800 . ?
C00T H00X 0.9800 . ?
C00T H00Y 0.9800 . ?
C00T H 0.9800 . ?
C00U H00Z 0.9800 . ?
C00U HA 0.9800 . ?
C00U HB 0.9800 . ?
C00V H00 0.9900 . ?
C00V HC 0.9900 . ?
C00V C012 1.510(3) . ?
C00W H0AA 0.9800 . ?
C00W HD 0.9800 . ?
C00W HE 0.9800 . ?
C00X H1AA 0.9800 . ?
C00X HF 0.9800 . ?
C00X HG 0.9800 . ?
C00Y H2AA 0.9500 . ?
C00Y C010 1.391(4) . ?
C00Y C013 1.393(4) . ?
C00Z H3AA 0.9500 . ?
C00Z C010 1.368(4) . ?
C00Z C018 1.375(4) . ?
C010 H010 0.9500 . ?
C011 H011 0.9500 . ?
C011 C014 1.370(4) . ?
C011 C01C 1.375(4) . ?
C012 H01A 0.9900 . ?
C012 H01B 0.9900 . ?
C012 C015 1.505(4) . ?
C013 H013 0.9500 . ?
C013 C017 1.379(4) . ?
C014 H014 0.9500 . ?
C014 C01B 1.374(4) . ?
C015 H01C 0.9900 . ?
C015 H01D 0.9900 . ?
C016 H01E 0.9800 . ?
C016 H01F 0.9800 . ?
C016 H01G 0.9800 . ?
C017 H017 0.9500 . ?
C017 C018 1.374(4) . ?
C018 H018 0.9500 . ?
C019 H019 0.9500 . ?
C019 C01A 1.368(5) . ?
C019 C01B 1.372(4) . ?
C01A H01H 0.9500 . ?
C01A C01C 1.391(5) . ?
C01B H01I 0.9500 . ?
C01C H01J 0.9500 . ?

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
C20 Ag01 C008 176.39(7) . 3_666 ?
C009 O002 Li1D 136.65(17) . . ?
C00D O003 Li1D 138.68(18) . . ?
C00Q O004 C00V 109.95(16) . . ?
C00Q O004 Li1D 122.55(19) . . ?
C00V O004 Li1D 127.48(19) . . ?
C009 N005 C00J 120.30(16) . . ?
C009 N005 C00N 121.72(16) . . ?
C00N N005 C00J 117.98(15) . . ?
C00D N006 C00F 121.40(17) . . ?
C00D N006 C00G 121.00(16) . . ?
C00F N006 C00G 117.59(15) . . ?
C00A C20 Ag01 123.42(15) . . ?
C00A C20 C00C 114.34(19) . . ?
C00C C20 Ag01 121.92(16) . . ?
C00B C008 Ag01 121.85(14) . 3_666 ?
C00B C008 C00E 114.54(18) . . ?
C00E C008 Ag01 123.55(15) . 3_666 ?
O002 C009 N005 120.93(17) . . ?
O002 C009 C00B 119.09(16) . . ?
N005 C009 C00B 119.92(16) . . ?
C20 C00A C00D 118.22(19) . . ?
C00L C00A C20 123.6(2) . . ?
C00L C00A C00D 118.0(2) . . ?
C008 C00B C009 119.80(17) . . ?
C00I C00B C008 123.15(18) . . ?
C00I C00B C009 116.92(17) . . ?
C20 C00C H00C 118.4 . . ?
C00O C00C C20 123.1(2) . . ?
C00O C00C H00C 118.4 . . ?
O003 C00D N006 120.42(18) . . ?
O003 C00D C00A 119.38(17) . . ?
N006 C00D C00A 120.19(17) . . ?
C008 C00E H00E 118.5 . . ?
C00H C00E C008 123.0(2) . . ?
C00H C00E H00E 118.5 . . ?
N006 C00F H00F 107.1 . . ?
N006 C00F C00U 110.88(18) . . ?
N006 C00F C00W 111.36(17) . . ?
C00U C00F H00F 107.1 . . ?
C00U C00F C00W 112.99(18) . . ?
C00W C00F H00F 107.1 . . ?
N006 C00G H00G 106.5 . . ?
N006 C00G C00M 112.17(17) . . ?
N006 C00G C00S 112.31(17) . . ?
C00M C00G H00G 106.5 . . ?
C00M C00G C00S 112.30(19) . . ?
C00S C00G H00G 106.5 . . ?
C00E C00H H00H 119.9 . . ?
C00P C00H C00E 120.29(19) . . ?
C00P C00H H00H 119.9 . . ?
C00B C00I H00I 120.0 . . ?
C00P C00I C00B 120.1(2) . . ?
C00P C00I H00I 120.0 . . ?
N005 C00J H00J 106.6 . . ?
N005 C00J C00T 112.37(17) . . ?
N005 C00J C00X 111.52(17) . . ?
C00T C00J H00J 106.6 . . ?
C00T C00J C00X 112.66(19) . . ?
C00X C00J H00J 106.6 . . ?
H00A C00K H00B 109.5 . . ?
H00A C00K H00D 109.5 . . ?
H00B C00K H00D 109.5 . . ?
C00N C00K H00A 109.5 . . ?
C00N C00K H00B 109.5 . . ?
C00N C00K H00D 109.5 . . ?
C00A C00L H00L 120.4 . . ?
C00R C00L C00A 119.3(2) . . ?
C00R C00L H00L 120.4 . . ?
C00G C00M H00K 109.5 . . ?
C00G C00M H00M 109.5 . . ?
C00G C00M H00N 109.5 . . ?
H00K C00M H00M 109.5 . . ?
H00K C00M H00N 109.5 . . ?
H00M C00M H00N 109.5 . . ?
N005 C00N C00K 111.50(17) . . ?
N005 C00N H00O 107.2 . . ?
N005 C00N C016 111.24(17) . . ?
C00K C00N H00O 107.2 . . ?
C00K C00N C016 112.07(18) . . ?
C016 C00N H00O 107.2 . . ?
C00C C00O H00P 120.0 . . ?
C00R C00O C00C 120.07(19) . . ?
C00R C00O H00P 120.0 . . ?
C00H C00P C00I 118.91(19) . . ?
C00H C00P H00Q 120.5 . . ?
C00I C00P H00Q 120.5 . . ?
O004 C00Q H00R 110.8 . . ?
O004 C00Q H00S 110.8 . . ?
O004 C00Q C015 105.0(2) . . ?
H00R C00Q H00S 108.8 . . ?
C015 C00Q H00R 110.8 . . ?
C015 C00Q H00S 110.8 . . ?
C00L C00R H00T 120.2 . . ?
C00O C00R C00L 119.6(2) . . ?
C00O C00R H00T 120.2 . . ?
C00G C00S H00U 109.5 . . ?
C00G C00S H00V 109.5 . . ?
C00G C00S H00W 109.5 . . ?
H00U C00S H00V 109.5 . . ?
H00U C00S H00W 109.5 . . ?
H00V C00S H00W 109.5 . . ?
C00J C00T H00X 109.5 . . ?
C00J C00T H00Y 109.5 . . ?
C00J C00T H 109.5 . . ?
H00X C00T H00Y 109.5 . . ?
H00X C00T H 109.5 . . ?
H00Y C00T H 109.5 . . ?
C00F C00U H00Z 109.5 . . ?
C00F C00U HA 109.5 . . ?
C00F C00U HB 109.5 . . ?
H00Z C00U HA 109.5 . . ?
H00Z C00U HB 109.5 . . ?
HA C00U HB 109.5 . . ?
O004 C00V H00 110.8 . . ?
O004 C00V HC 110.8 . . ?
O004 C00V C012 104.5(2) . . ?
H00 C00V HC 108.9 . . ?
C012 C00V H00 110.8 . . ?
C012 C00V HC 110.8 . . ?
C00F C00W H0AA 109.5 . . ?
C00F C00W HD 109.5 . . ?
C00F C00W HE 109.5 . . ?
H0AA C00W HD 109.5 . . ?
H0AA C00W HE 109.5 . . ?
HD C00W HE 109.5 . . ?
C00J C00X H1AA 109.5 . . ?
C00J C00X HF 109.5 . . ?
C00J C00X HG 109.5 . . ?
H1AA C00X HF 109.5 . . ?
H1AA C00X HG 109.5 . . ?
HF C00X HG 109.5 . . ?
C010 C00Y H2AA 120.3 . . ?
C010 C00Y C013 119.5(2) . . ?
C013 C00Y H2AA 120.3 . . ?
C010 C00Z H3AA 119.9 . . ?
C010 C00Z C018 120.2(2) . . ?
C018 C00Z H3AA 119.9 . . ?
C00Y C010 H010 120.0 . . ?
C00Z C010 C00Y 120.0(2) . . ?
C00Z C010 H010 120.0 . . ?
C014 C011 H011 120.1 . . ?
C014 C011 C01C 119.8(2) . . ?
C01C C011 H011 120.1 . . ?
C00V C012 H01A 111.4 . . ?
C00V C012 H01B 111.4 . . ?
H01A C012 H01B 109.3 . . ?
C015 C012 C00V 101.90(19) . . ?
C015 C012 H01A 111.4 . . ?
C015 C012 H01B 111.4 . . ?
C00Y C013 H013 120.1 . . ?
C017 C013 C00Y 119.9(2) . . ?
C017 C013 H013 120.1 . . ?
C011 C014 H014 119.6 . . ?
C011 C014 C01B 120.7(2) . . ?
C01B C014 H014 119.6 . . ?
C00Q C015 H01C 111.3 . . ?
C00Q C015 H01D 111.3 . . ?
C012 C015 C00Q 102.17(19) . . ?
C012 C015 H01C 111.3 . . ?
C012 C015 H01D 111.3 . . ?
H01C C015 H01D 109.2 . . ?
C00N C016 H01E 109.5 . . ?
C00N C016 H01F 109.5 . . ?
C00N C016 H01G 109.5 . . ?
H01E C016 H01F 109.5 . . ?
H01E C016 H01G 109.5 . . ?
H01F C016 H01G 109.5 . . ?
C013 C017 H017 120.1 . . ?
C018 C017 C013 119.8(2) . . ?
C018 C017 H017 120.1 . . ?
C00Z C018 H018 119.7 . . ?
C017 C018 C00Z 120.6(2) . . ?
C017 C018 H018 119.7 . . ?
C01A C019 H019 119.8 . . ?
C01A C019 C01B 120.4(3) . . ?
C01B C019 H019 119.8 . . ?
C019 C01A H01H 120.1 . . ?
C019 C01A C01C 119.9(2) . . ?
C01C C01A H01H 120.1 . . ?
C014 C01B H01I 120.2 . . ?
C019 C01B C014 119.6(3) . . ?
C019 C01B H01I 120.2 . . ?
C011 C01C C01A 119.6(3) . . ?
C011 C01C H01J 120.2 . . ?
C01A C01C H01J 120.2 . . ?
O002 Li1D O004 123.9(2) . . ?
O003 Li1D O002 111.64(19) . . ?
O003 Li1D O004 123.7(2) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.233
_oxdiff_exptl_absorpt_empirical_full_min 0.683
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_exp_334
_database_code_depnum_ccdc_archive 'CCDC 1960037'
loop_
_audit_author_name
_audit_author_address
'Noriyuki Tezuka'
;The University of Tokyo
Japan
;
_audit_update_record             
;
2019-10-18 deposited with the CCDC.	2020-01-03 downloaded from the CCDC.
;
_audit_creation_date             2019-10-18
_audit_creation_method           
;
Olex2 1.2-ac3
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C44 H72 Ag2 Li2 N4 O2, 2(C6 H6)'
_chemical_formula_sum            'C56 H84 Ag2 Li2 N4 O2'
_chemical_formula_weight         1076.90
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C23 H36 Ag N3 O1 Li2 '
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li 0.0008 0.0003 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.3743(2)
_cell_length_b                   18.2477(2)
_cell_length_c                   22.9463(3)
_cell_angle_alpha                90
_cell_angle_beta                 103.316(2)
_cell_angle_gamma                90
_cell_volume                     5449.49(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    16970
_cell_measurement_temperature    93
_cell_measurement_theta_max      75.9880
_cell_measurement_theta_min      3.3680
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.078
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.325
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear brownish colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   brownish
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.313
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2264
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
6 8 -2 0.1250
9 -2 -4 0.1134
-3 -11 1 0.1039
-9 0 4 0.0613
0 12 -3 0.1574
3 0 -15 0.1195
0 -12 1 0.1212
-3 1 15 0.1034
-5 9 6 0.1620
2 11 -3 0.1543
7 2 -10 0.1308
7 -1 -10 0.1303
-1 -12 1 0.1148
-7 -1 10 0.0960
-4 5 -9 0.1293
-2 11 -2 0.1663
2 10 6 0.1684
4 2 11 0.1241
4 -4 10 0.1098
0 -11 -3 0.1176
-4 -1 -11 0.1408

_exptl_crystal_preparation       '4C in benzene'
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.296
_exptl_crystal_size_mid          0.258
_exptl_crystal_size_min          0.186
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
6.4165 7.9801 -2.4848 0.7132 -0.3385 0.6139
8.5276 -2.2282 -3.7843 0.8704 -0.4148 -0.2652
-2.7578 -11.2247 0.7751 -0.3535 0.1667 -0.9204
-8.6835 0.1077 3.7723 -0.8993 0.4283 0.0880
-0.0196 11.5572 -3.1475 0.1786 0.1908 0.9652
2.5232 -0.0270 -14.8663 0.6868 0.7246 -0.0577
0.3671 -11.7820 1.1624 -0.0875 -0.0948 -0.9916
-2.5494 0.6724 14.8387 -0.6836 -0.7212 0.1121
-4.6817 9.2527 6.4095 -0.5539 -0.0427 0.8315
1.7380 11.4890 -2.6612 0.3217 0.0271 0.9465
7.2894 2.2039 -10.2933 0.9916 0.0789 0.1023
7.3906 -1.3164 -10.3692 0.9778 0.0773 -0.1949
-0.5121 -11.8047 0.9431 -0.1603 -0.0143 -0.9870
-7.3904 -1.1344 10.4151 -0.9968 -0.0792 -0.0112
-4.3060 5.2876 -9.0903 -0.0697 0.8861 0.4583
-1.6364 11.4842 -1.5927 -0.0158 0.2180 0.9758
1.9108 9.9362 6.4477 0.0447 -0.5471 0.8359
4.3303 2.0568 10.5911 0.0784 -0.9835 0.1631
4.4863 -3.5169 9.8625 0.0748 -0.9481 -0.3089
-0.4289 -11.4872 -3.2666 -0.0204 0.2388 -0.9709
-4.3928 -1.4910 -10.6269 -0.0788 0.9902 -0.1151

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0334
_diffrn_reflns_av_unetI/netI     0.0246
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            37918
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         68.247
_diffrn_reflns_theta_min         3.128
_diffrn_ambient_temperature      93
_diffrn_detector                 'Rigaku HyPix-6000 area detector'
_diffrn_detector_area_resol_mean 10.0
_diffrn_detector_type            'HPC area detector'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -63.00 -38.00   0.50    0.80    --  -39.82   4.00 -81.00   50
  2  ω    -64.00  -3.00   0.50    2.72    --  -84.50  30.00   0.00  122
  3  ω    -64.00 -39.00   0.50    0.80    --  -39.82  -4.00 101.00   50
  4  ω    -13.00  13.00   0.50    0.80    --   39.82  -4.00 101.00   52
  5  ω     79.00 104.00   0.50    2.72    --  113.69  -4.00 101.00   50
  6  ω     50.00  79.00   0.50    2.72    --  113.69 -45.00  30.00   58
  7  ω     59.00 108.00   0.50    2.72    --  113.69 -94.00  30.00   98
  8  ω     88.00 117.00   0.50    2.72    --  113.69-125.00   0.00   58
  9  ω     76.00 117.00   0.50    2.72    --  113.69-125.00  60.00   82
 10  ω     37.00 126.00   0.50    0.80    --   39.82-178.00 150.00  178
 11  ω     34.00 102.00   0.50    2.72    --  113.69 -94.00 120.00  136
 12  ω     36.00  71.00   0.50    2.72    --  113.69-125.00   0.00   70
 13  ω     37.00  63.00   0.50    2.72    --  113.69-125.00  60.00   52
 14  ω     42.00  94.00   0.50    2.72    --  113.69 -94.00  90.00  104
 15  ω     39.00  77.00   0.50    2.72    --  113.69 -45.00 120.00   76
 16  ω     31.00  68.00   0.50    2.72    --  113.69 -30.00  90.00   74
 17  ω     32.00  69.00   0.50    2.72    --  113.69 -30.00   0.00   74
 18  ω     45.00  79.00   0.50    2.72    --  113.69 -45.00 -60.00   68
 19  ω     36.00  70.00   0.50    2.72    --  113.69 -45.00 -30.00   68
 20  ω     34.00 178.00   0.50    2.72    --  113.69   4.00 -81.00  288
 21  ω     92.00 125.00   0.50    0.80    --   39.82   4.00 -81.00   66
 22  ω     36.00  79.00   0.50    2.72    --  113.69 -45.00   0.00   86
 23  ω      3.00  90.00   0.50    0.80    --   39.82   4.00 -81.00  174
 24  ω     40.00 120.00   0.50    0.80    --   39.82 178.00 -60.00  160
 25  ω    -98.00 -72.00   0.50    0.80    --  -39.82   4.00 -81.00   52
 26  ω   -108.00 -83.00   0.50    2.72    --  -84.50   4.00 -81.00   50
 27  ω   -170.00  -1.00   0.50    2.72    --  -84.50  -4.00 101.00  338
 28  ω   -113.00 -33.00   0.50    2.72    --  -84.50  61.00  90.00  160
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku XtaLAB Synergy-S'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0902358000
_diffrn_orient_matrix_UB_12      0.0071937000
_diffrn_orient_matrix_UB_13      -0.0308937000
_diffrn_orient_matrix_UB_21      -0.0761175000
_diffrn_orient_matrix_UB_22      -0.0004117000
_diffrn_orient_matrix_UB_23      -0.0616588000
_diffrn_orient_matrix_UB_31      -0.0080715000
_diffrn_orient_matrix_UB_32      0.0841469000
_diffrn_orient_matrix_UB_33      0.0023577000
_diffrn_radiation_monochromator  'multi-layer mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              PhotonJet-S
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9060
_reflns_number_total             9918
_reflns_odcompleteness_completeness 99.66
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     68.13
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.921
_refine_diff_density_min         -0.707
_refine_diff_density_rms         0.079
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.131
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     611
_refine_ls_number_reflns         9918
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0397
_refine_ls_R_factor_gt           0.0362
_refine_ls_restrained_S_all      1.131
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0423P)²+6.6478P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0944
_refine_ls_wR_factor_ref         0.0963
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C00D(H00D), C00O(H00O), C00P(H00P), C00X(H00Y)
2.b Secondary CH2 refined with riding coordinates:
 C00N(H00K,H00L), C00Y(H00Z,H), C010(H01A,H01B), C011(H01C,H01D), C015(H01K,
 H01L), C019(H01M,H01N)
2.c Aromatic/amide H refined with riding coordinates:
 C00B(H00B), C00E(H00E), C00H(H00H), C00J(H3AA), C00M(H00M), C00Q(H00Q),
 C00T(H00T), C00U(H00U), C012(H012), C018(H018), C01B(H4AA), C01E(H5AA),
 C01F(H8AA), C01H(H6AA), C01J(H9AA), C01K(H0BA), C01L(H1BA), C01M(H7AA),
 C01Q(H2BA), C01R(H3BA)
2.d Idealised Me refined as rotating group:
 C00G(H00A,H00C,H00F), C00L(H00G,H00I,H00J), C00S(H00N,H00R,H00S), C00W(H00V,
 H00W,H00X), C00Z(H00,HA,HB), C013(H01E,H01F,H01G), C014(H01H,H01I,H01J),
 C01A(H01O,H01P,H01Q), C01C(H01R,H01S,H01T), C01D(H01U,H01V,H01W), C01G(H01X,
 H01Y,HC), C01I(H01Z,HD,HE), C01N(H01,HF,HG), C01O(H0AA,HH,HI), C01P(H1AA,HJ,
 HK), C01S(H2AA,HL,HM)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag01 Ag 0.55930(2) 0.75013(2) 0.49790(2) 0.01737(7) Uani 1 1 d . . . . .
Ag02 Ag 0.29464(2) 0.74853(2) 0.50486(2) 0.01635(7) Uani 1 1 d . . . . .
O003 O 0.47804(13) 0.84330(9) 0.36418(8) 0.0196(4) Uani 1 1 d . . . . .
O004 O 0.59989(14) 0.66009(10) 0.63650(8) 0.0229(4) Uani 1 1 d . . . . .
N005 N 0.25469(15) 0.79667(11) 0.41816(9) 0.0157(4) Uani 1 1 d . . . . .
N006 N 0.33434(16) 0.70094(11) 0.59186(9) 0.0159(4) Uani 1 1 d . . . . .
N007 N 0.76657(16) 0.66939(11) 0.63122(9) 0.0176(4) Uani 1 1 d . . . . .
N008 N 0.64603(16) 0.84013(11) 0.36088(9) 0.0162(4) Uani 1 1 d . . . . .
C009 C 0.60134(19) 0.80962(14) 0.57859(11) 0.0184(5) Uani 1 1 d . . . . .
C00A C 0.54848(19) 0.72533(13) 0.36323(11) 0.0162(5) Uani 1 1 d . . . . .
C00B C 0.54531(19) 0.68614(14) 0.31078(11) 0.0199(5) Uani 1 1 d . . . . .
H00B H 0.559079 0.709965 0.276658 0.024 Uiso 1 1 calc R . . . .
C00C C 0.67624(19) 0.69880(13) 0.63440(10) 0.0173(5) Uani 1 1 d . . . . .
C00D C 0.74340(19) 0.79874(14) 0.36857(11) 0.0188(5) Uani 1 1 d . . . . .
H00D H 0.726115 0.745431 0.368683 0.023 Uiso 1 1 calc R . . . .
C00E C 0.5083(2) 0.61777(14) 0.41150(12) 0.0209(5) Uani 1 1 d . . . . .
H00E H 0.496182 0.593177 0.445715 0.025 Uiso 1 1 calc R . . . .
C00F C 0.55723(19) 0.80758(13) 0.36269(10) 0.0165(5) Uani 1 1 d . . . . .
C00G C 0.3722(2) 0.58497(14) 0.54995(12) 0.0233(5) Uani 1 1 d . . . . .
H00A H 0.351314 0.605526 0.509514 0.035 Uiso 1 1 calc GR . . . .
H00C H 0.359166 0.532070 0.548407 0.035 Uiso 1 1 calc GR . . . .
H00F H 0.445583 0.594003 0.566001 0.035 Uiso 1 1 calc GR . . . .
C00H C 0.5803(2) 0.88507(14) 0.58002(11) 0.0196(5) Uani 1 1 d . . . . .
H00H H 0.542176 0.907698 0.544529 0.023 Uiso 1 1 calc R . . . .
C00I C 0.53052(19) 0.69312(14) 0.41569(11) 0.0183(5) Uani 1 1 d . . . . .
C00J C -0.0521(2) 0.57922(15) 0.44227(13) 0.0282(6) Uani 1 1 d . . . . .
H3AA H -0.028748 0.588758 0.483892 0.034 Uiso 1 1 calc R . . . .
C00K C 0.2333(2) 0.87634(13) 0.42179(11) 0.0191(5) Uani 1 1 d . . . . .
C00L C 0.3323(2) 0.91168(14) 0.45783(11) 0.0228(5) Uani 1 1 d . . . . .
H00G H 0.348314 0.892002 0.498670 0.034 Uiso 1 1 calc GR . . . .
H00I H 0.322934 0.964866 0.459217 0.034 Uiso 1 1 calc GR . . . .
H00J H 0.388939 0.900776 0.438669 0.034 Uiso 1 1 calc GR . . . .
C00M C 0.6946(2) 0.82308(14) 0.68413(11) 0.0206(5) Uani 1 1 d . . . . .
H00M H 0.734517 0.801490 0.719613 0.025 Uiso 1 1 calc R . . . .
C00N C 0.3387(2) 0.70921(16) 0.70034(12) 0.0269(6) Uani 1 1 d . . . . .
H00K H 0.414678 0.711546 0.712151 0.032 Uiso 1 1 calc R . . . .
H00L H 0.311451 0.737160 0.730262 0.032 Uiso 1 1 calc R . . . .
C00O C 0.7780(2) 0.58841(14) 0.62765(11) 0.0212(5) Uani 1 1 d . . . . .
H00O H 0.850208 0.579293 0.624411 0.025 Uiso 1 1 calc R . . . .
C00P C 0.85588(19) 0.71493(14) 0.62678(11) 0.0202(5) Uani 1 1 d . . . . .
H00P H 0.833392 0.767272 0.625761 0.024 Uiso 1 1 calc R . . . .
C00Q C 0.5219(2) 0.61205(14) 0.30878(12) 0.0228(5) Uani 1 1 d . . . . .
H00Q H 0.518583 0.584836 0.273097 0.027 Uiso 1 1 calc R . . . .
C00R C 0.66121(18) 0.78059(14) 0.63258(11) 0.0166(5) Uani 1 1 d . . . . .
C00S C 0.5829(2) 0.95282(15) 0.30252(13) 0.0276(6) Uani 1 1 d . . . . .
H00N H 0.596031 0.927222 0.267477 0.041 Uiso 1 1 calc GR . . . .
H00R H 0.597234 1.005186 0.299569 0.041 Uiso 1 1 calc GR . . . .
H00S H 0.510879 0.946120 0.304062 0.041 Uiso 1 1 calc GR . . . .
C00T C 0.6695(2) 0.89648(14) 0.68326(11) 0.0211(5) Uani 1 1 d . . . . .
H00T H 0.690922 0.925443 0.718325 0.025 Uiso 1 1 calc R . . . .
C00U C 0.6125(2) 0.92789(13) 0.63066(12) 0.0199(5) Uani 1 1 d . . . . .
H00U H 0.595745 0.978543 0.629573 0.024 Uiso 1 1 calc R . . . .
C00V C 0.3103(2) 0.62141(14) 0.59051(11) 0.0200(5) Uani 1 1 d . . . . .
C00W C 0.7949(2) 0.81167(15) 0.31673(12) 0.0249(6) Uani 1 1 d . . . . .
H00V H 0.743630 0.807673 0.278731 0.037 Uiso 1 1 calc GR . . . .
H00W H 0.848766 0.774912 0.317933 0.037 Uiso 1 1 calc GR . . . .
H00X H 0.825456 0.860756 0.320181 0.037 Uiso 1 1 calc GR . . . .
C00X C 0.6523(2) 0.92162(13) 0.35917(12) 0.0200(5) Uani 1 1 d . . . . .
H00Y H 0.724320 0.933666 0.357080 0.024 Uiso 1 1 calc R . . . .
C00Y C 0.3049(2) 0.62981(16) 0.70085(12) 0.0287(6) Uani 1 1 d . . . . .
H00Z H 0.228946 0.626985 0.691978 0.034 Uiso 1 1 calc R . . . .
H H 0.332417 0.608067 0.740862 0.034 Uiso 1 1 calc R . . . .
C00Z C 0.6355(2) 0.95740(15) 0.41605(13) 0.0274(6) Uani 1 1 d . . . . .
H00 H 0.565367 0.947335 0.420043 0.041 Uiso 1 1 calc GR . . . .
HA H 0.645409 1.010460 0.413963 0.041 Uiso 1 1 calc GR . . . .
HB H 0.684761 0.937446 0.450782 0.041 Uiso 1 1 calc GR . . . .
C010 C 0.1224(2) 0.87064(15) 0.31539(12) 0.0265(6) Uani 1 1 d . . . . .
H01A H 0.111638 0.892640 0.274980 0.032 Uiso 1 1 calc R . . . .
H01B H 0.057536 0.874777 0.328942 0.032 Uiso 1 1 calc R . . . .
C011 C 0.1523(2) 0.79024(15) 0.31306(12) 0.0255(6) Uani 1 1 d . . . . .
H01C H 0.213067 0.786613 0.295408 0.031 Uiso 1 1 calc R . . . .
H01D H 0.095164 0.763452 0.286508 0.031 Uiso 1 1 calc R . . . .
C012 C 0.5032(2) 0.57781(14) 0.35946(13) 0.0236(6) Uani 1 1 d . . . . .
H012 H 0.487044 0.527067 0.358412 0.028 Uiso 1 1 calc R . . . .
C013 C 0.8161(2) 0.81604(16) 0.42852(12) 0.0268(6) Uani 1 1 d . . . . .
H01E H 0.840051 0.866774 0.428345 0.040 Uiso 1 1 calc GR . . . .
H01F H 0.875127 0.782754 0.435029 0.040 Uiso 1 1 calc GR . . . .
H01G H 0.779837 0.809720 0.460748 0.040 Uiso 1 1 calc GR . . . .
C014 C 0.7658(2) 0.54976(15) 0.68440(13) 0.0284(6) Uani 1 1 d . . . . .
H01H H 0.815835 0.569483 0.718906 0.043 Uiso 1 1 calc GR . . . .
H01I H 0.777575 0.497106 0.680901 0.043 Uiso 1 1 calc GR . . . .
H01J H 0.696111 0.557818 0.689919 0.043 Uiso 1 1 calc GR . . . .
C015 C 0.2081(2) 0.91110(14) 0.35873(12) 0.0226(5) Uani 1 1 d . . . . .
H01K H 0.187427 0.962768 0.361851 0.027 Uiso 1 1 calc R . . . .
H01L H 0.270737 0.910835 0.342608 0.027 Uiso 1 1 calc R . . . .
C016 C 0.3013(2) 0.74533(13) 0.63814(13) 0.0214(6) Uani 1 1 d . . . . .
C017 C 0.1774(2) 0.75320(13) 0.37529(12) 0.0206(6) Uani 1 1 d . . . . .
C018 C -0.1482(2) 0.60414(15) 0.41167(13) 0.0285(6) Uani 1 1 d . . . . .
H018 H -0.190635 0.630632 0.432292 0.034 Uiso 1 1 calc R . . . .
C019 C 0.3451(2) 0.58793(14) 0.65366(12) 0.0231(6) Uani 1 1 d . . . . .
H01M H 0.320877 0.536579 0.652602 0.028 Uiso 1 1 calc R . . . .
H01N H 0.421138 0.587274 0.665209 0.028 Uiso 1 1 calc R . . . .
C01A C 0.8901(2) 0.70045(17) 0.56910(12) 0.0292(6) Uani 1 1 d . . . . .
H01O H 0.919959 0.651256 0.570486 0.044 Uiso 1 1 calc GR . . . .
H01P H 0.941644 0.736876 0.564633 0.044 Uiso 1 1 calc GR . . . .
H01Q H 0.830731 0.703863 0.534998 0.044 Uiso 1 1 calc GR . . . .
C01B C -0.1816(2) 0.59016(16) 0.35123(13) 0.0291(6) Uani 1 1 d . . . . .
H4AA H -0.247183 0.607107 0.330196 0.035 Uiso 1 1 calc R . . . .
C01C C 0.1483(2) 0.89554(15) 0.45479(13) 0.0271(6) Uani 1 1 d . . . . .
H01R H 0.081104 0.882804 0.429433 0.041 Uiso 1 1 calc GR . . . .
H01S H 0.150455 0.948160 0.463555 0.041 Uiso 1 1 calc GR . . . .
H01T H 0.159555 0.867859 0.492338 0.041 Uiso 1 1 calc GR . . . .
C01D C 0.9434(2) 0.70571(18) 0.68178(12) 0.0306(6) Uani 1 1 d . . . . .
H01U H 0.917925 0.714314 0.717946 0.046 Uiso 1 1 calc GR . . . .
H01V H 0.997935 0.741040 0.680180 0.046 Uiso 1 1 calc GR . . . .
H01W H 0.970912 0.655829 0.682661 0.046 Uiso 1 1 calc GR . . . .
C01E C -0.0247(2) 0.52662(17) 0.35176(13) 0.0315(6) Uani 1 1 d . . . . .
H5AA H 0.017423 0.499774 0.331224 0.038 Uiso 1 1 calc R . . . .
C01F C 0.0958(2) 0.95423(16) 0.60295(15) 0.0342(7) Uani 1 1 d . . . . .
H8AA H 0.146212 0.970582 0.582750 0.041 Uiso 1 1 calc R . . . .
C01G C 0.7087(2) 0.55620(15) 0.57137(13) 0.0295(6) Uani 1 1 d . . . . .
H01X H 0.636761 0.560502 0.573846 0.044 Uiso 1 1 calc GR . . . .
H01Y H 0.725849 0.504412 0.567884 0.044 Uiso 1 1 calc GR . . . .
HC H 0.718947 0.582952 0.536172 0.044 Uiso 1 1 calc GR . . . .
C01H C 0.0093(2) 0.54071(16) 0.41228(13) 0.0280(6) Uani 1 1 d . . . . .
H6AA H 0.074923 0.523848 0.433222 0.034 Uiso 1 1 calc R . . . .
C01I C 0.3548(2) 0.82010(14) 0.64048(12) 0.0252(6) Uani 1 1 d . . . . .
H01Z H 0.429484 0.813087 0.650636 0.038 Uiso 1 1 calc GR . . . .
HD H 0.335009 0.850870 0.670968 0.038 Uiso 1 1 calc GR . . . .
HE H 0.334148 0.844061 0.601322 0.038 Uiso 1 1 calc GR . . . .
C01J C 0.1161(3) 0.95570(17) 0.66463(15) 0.0361(7) Uani 1 1 d . . . . .
H9AA H 0.180671 0.973091 0.686832 0.043 Uiso 1 1 calc R . . . .
C01K C 0.0021(3) 0.92898(16) 0.57054(14) 0.0343(7) Uani 1 1 d . . . . .
H0BA H -0.011525 0.927228 0.528061 0.041 Uiso 1 1 calc R . . . .
C01L C 0.0428(3) 0.93188(17) 0.69450(15) 0.0389(7) Uani 1 1 d . . . . .
H1BA H 0.057322 0.932160 0.737018 0.047 Uiso 1 1 calc R . . . .
C01M C -0.1199(2) 0.55150(17) 0.32102(13) 0.0334(7) Uani 1 1 d . . . . .
H7AA H -0.142997 0.542142 0.279360 0.040 Uiso 1 1 calc R . . . .
C01N C 0.2258(2) 0.67878(15) 0.36832(13) 0.0271(6) Uani 1 1 d . . . . .
H01 H 0.287314 0.685841 0.352626 0.041 Uiso 1 1 calc GR . . . .
HF H 0.176277 0.648323 0.340479 0.041 Uiso 1 1 calc GR . . . .
HG H 0.244745 0.654459 0.407395 0.041 Uiso 1 1 calc GR . . . .
C01O C 0.0766(2) 0.73798(16) 0.39512(14) 0.0278(6) Uani 1 1 d . . . . .
H0AA H 0.092683 0.718355 0.435975 0.042 Uiso 1 1 calc GR . . . .
HH H 0.035359 0.702240 0.367925 0.042 Uiso 1 1 calc GR . . . .
HI H 0.037748 0.783696 0.394057 0.042 Uiso 1 1 calc GR . . . .
C01P C 0.1961(2) 0.60213(15) 0.56357(13) 0.0273(6) Uani 1 1 d . . . . .
H1AA H 0.154486 0.616626 0.591638 0.041 Uiso 1 1 calc GR . . . .
HJ H 0.189500 0.549223 0.556382 0.041 Uiso 1 1 calc GR . . . .
HK H 0.172228 0.628357 0.525641 0.041 Uiso 1 1 calc GR . . . .
C01Q C -0.0719(3) 0.90622(16) 0.59992(16) 0.0369(7) Uani 1 1 d . . . . .
H2BA H -0.136685 0.889523 0.577554 0.044 Uiso 1 1 calc R . . . .
C01R C -0.0517(3) 0.90772(17) 0.66169(16) 0.0397(8) Uani 1 1 d . . . . .
H3BA H -0.102709 0.892162 0.681740 0.048 Uiso 1 1 calc R . . . .
C01S C 0.1853(2) 0.76053(16) 0.62624(15) 0.0298(6) Uani 1 1 d . . . . .
H2AA H 0.161173 0.780283 0.585716 0.045 Uiso 1 1 calc GR . . . .
HL H 0.171991 0.796184 0.655479 0.045 Uiso 1 1 calc GR . . . .
HM H 0.148822 0.714809 0.629926 0.045 Uiso 1 1 calc GR . . . .
Li1T Li 0.3899(3) 0.7837(2) 0.4004(2) 0.0224(9) Uani 1 1 d . . . . .
Li1U Li 0.4808(3) 0.7152(2) 0.6003(2) 0.0230(9) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Ag01 C009 2.108(2) . ?
Ag01 C00I 2.111(2) . ?
Ag01 Li1T 2.860(4) . ?
Ag01 Li1U 2.857(4) . ?
Ag02 N005 2.127(2) . ?
Ag02 N006 2.129(2) . ?
Ag02 Li1T 3.030(4) . ?
Ag02 Li1U 2.975(5) . ?
O003 C00F 1.251(3) . ?
O003 Li1T 1.928(5) . ?
O004 C00C 1.252(3) . ?
O004 Li1U 1.905(5) . ?
N005 C00K 1.488(3) . ?
N005 C017 1.482(3) . ?
N005 Li1T 1.957(5) . ?
N006 C00V 1.485(3) . ?
N006 C016 1.482(3) . ?
N006 Li1U 1.941(5) . ?
N007 C00C 1.339(3) . ?
N007 C00O 1.490(3) . ?
N007 C00P 1.478(3) . ?
N008 C00D 1.480(3) . ?
N008 C00F 1.337(3) . ?
N008 C00X 1.490(3) . ?
C009 C00H 1.407(4) . ?
C009 C00R 1.414(4) . ?
C009 Li1U 2.487(5) . ?
C00A C00B 1.392(3) . ?
C00A C00F 1.506(3) . ?
C00A C00I 1.409(3) . ?
C00A Li1T 2.682(5) . ?
C00B H00B 0.9500 . ?
C00B C00Q 1.386(4) . ?
C00C C00R 1.505(3) . ?
C00C Li1U 2.567(5) . ?
C00D H00D 1.0000 . ?
C00D C00W 1.524(3) . ?
C00D C013 1.523(4) . ?
C00E H00E 0.9500 . ?
C00E C00I 1.405(4) . ?
C00E C012 1.387(4) . ?
C00F Li1T 2.616(5) . ?
C00G H00A 0.9800 . ?
C00G H00C 0.9800 . ?
C00G H00F 0.9800 . ?
C00G C00V 1.532(4) . ?
C00H H00H 0.9500 . ?
C00H C00U 1.384(4) . ?
C00I Li1T 2.468(5) . ?
C00J H3AA 0.9500 . ?
C00J C018 1.392(4) . ?
C00J C01H 1.379(4) . ?
C00K C00L 1.532(4) . ?
C00K C015 1.544(3) . ?
C00K C01C 1.544(4) . ?
C00L H00G 0.9800 . ?
C00L H00I 0.9800 . ?
C00L H00J 0.9800 . ?
C00M H00M 0.9500 . ?
C00M C00R 1.399(4) . ?
C00M C00T 1.380(4) . ?
C00N H00K 0.9900 . ?
C00N H00L 0.9900 . ?
C00N C00Y 1.519(4) . ?
C00N C016 1.547(4) . ?
C00O H00O 1.0000 . ?
C00O C014 1.522(4) . ?
C00O C01G 1.523(4) . ?
C00P H00P 1.0000 . ?
C00P C01A 1.520(4) . ?
C00P C01D 1.520(4) . ?
C00Q H00Q 0.9500 . ?
C00Q C012 1.392(4) . ?
C00R Li1U 2.641(5) . ?
C00S H00N 0.9800 . ?
C00S H00R 0.9800 . ?
C00S H00S 0.9800 . ?
C00S C00X 1.523(4) . ?
C00T H00T 0.9500 . ?
C00T C00U 1.394(4) . ?
C00U H00U 0.9500 . ?
C00V C019 1.542(3) . ?
C00V C01P 1.550(4) . ?
C00W H00V 0.9800 . ?
C00W H00W 0.9800 . ?
C00W H00X 0.9800 . ?
C00X H00Y 1.0000 . ?
C00X C00Z 1.522(4) . ?
C00Y H00Z 0.9900 . ?
C00Y H 0.9900 . ?
C00Y C019 1.521(4) . ?
C00Z H00 0.9800 . ?
C00Z HA 0.9800 . ?
C00Z HB 0.9800 . ?
C010 H01A 0.9900 . ?
C010 H01B 0.9900 . ?
C010 C011 1.525(4) . ?
C010 C015 1.524(4) . ?
C011 H01C 0.9900 . ?
C011 H01D 0.9900 . ?
C011 C017 1.545(4) . ?
C012 H012 0.9500 . ?
C013 H01E 0.9800 . ?
C013 H01F 0.9800 . ?
C013 H01G 0.9800 . ?
C014 H01H 0.9800 . ?
C014 H01I 0.9800 . ?
C014 H01J 0.9800 . ?
C015 H01K 0.9900 . ?
C015 H01L 0.9900 . ?
C016 C01I 1.536(4) . ?
C016 C01S 1.537(4) . ?
C017 C01N 1.528(4) . ?
C017 C01O 1.544(4) . ?
C018 H018 0.9500 . ?
C018 C01B 1.379(4) . ?
C019 H01M 0.9900 . ?
C019 H01N 0.9900 . ?
C01A H01O 0.9800 . ?
C01A H01P 0.9800 . ?
C01A H01Q 0.9800 . ?
C01B H4AA 0.9500 . ?
C01B C01M 1.386(4) . ?
C01C H01R 0.9800 . ?
C01C H01S 0.9800 . ?
C01C H01T 0.9800 . ?
C01D H01U 0.9800 . ?
C01D H01V 0.9800 . ?
C01D H01W 0.9800 . ?
C01E H5AA 0.9500 . ?
C01E C01H 1.382(4) . ?
C01E C01M 1.382(4) . ?
C01F H8AA 0.9500 . ?
C01F C01J 1.379(5) . ?
C01F C01K 1.380(5) . ?
C01G H01X 0.9800 . ?
C01G H01Y 0.9800 . ?
C01G HC 0.9800 . ?
C01H H6AA 0.9500 . ?
C01I H01Z 0.9800 . ?
C01I HD 0.9800 . ?
C01I HE 0.9800 . ?
C01J H9AA 0.9500 . ?
C01J C01L 1.389(5) . ?
C01K H0BA 0.9500 . ?
C01K C01Q 1.383(5) . ?
C01L H1BA 0.9500 . ?
C01L C01R 1.386(5) . ?
C01M H7AA 0.9500 . ?
C01N H01 0.9800 . ?
C01N HF 0.9800 . ?
C01N HG 0.9800 . ?
C01O H0AA 0.9800 . ?
C01O HH 0.9800 . ?
C01O HI 0.9800 . ?
C01P H1AA 0.9800 . ?
C01P HJ 0.9800 . ?
C01P HK 0.9800 . ?
C01Q H2BA 0.9500 . ?
C01Q C01R 1.381(5) . ?
C01R H3BA 0.9500 . ?
C01S H2AA 0.9800 . ?
C01S HL 0.9800 . ?
C01S HM 0.9800 . ?

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
C009 Ag01 C00I 174.73(9) . . ?
C009 Ag01 Li1T 125.44(11) . . ?
C009 Ag01 Li1U 57.80(11) . . ?
C00I Ag01 Li1T 57.17(11) . . ?
C00I Ag01 Li1U 126.78(12) . . ?
Li1U Ag01 Li1T 108.42(12) . . ?
N005 Ag02 N006 179.66(8) . . ?
N005 Ag02 Li1T 39.98(10) . . ?
N005 Ag02 Li1U 139.46(10) . . ?
N006 Ag02 Li1T 140.21(10) . . ?
N006 Ag02 Li1U 40.62(10) . . ?
Li1U Ag02 Li1T 101.08(12) . . ?
C00F O003 Li1T 108.9(2) . . ?
C00C O004 Li1U 107.0(2) . . ?
C00K N005 Ag02 111.17(15) . . ?
C00K N005 Li1T 109.2(2) . . ?
C017 N005 Ag02 112.72(15) . . ?
C017 N005 C00K 116.52(19) . . ?
C017 N005 Li1T 109.5(2) . . ?
Li1T N005 Ag02 95.71(16) . . ?
C00V N006 Ag02 111.90(15) . . ?
C00V N006 Li1U 110.0(2) . . ?
C016 N006 Ag02 113.44(15) . . ?
C016 N006 C00V 116.75(19) . . ?
C016 N006 Li1U 108.5(2) . . ?
Li1U N006 Ag02 93.82(15) . . ?
C00C N007 C00O 120.4(2) . . ?
C00C N007 C00P 122.1(2) . . ?
C00P N007 C00O 117.4(2) . . ?
C00D N008 C00X 117.3(2) . . ?
C00F N008 C00D 122.2(2) . . ?
C00F N008 C00X 120.0(2) . . ?
Ag01 C009 Li1U 76.39(13) . . ?
C00H C009 Ag01 120.67(18) . . ?
C00H C009 C00R 115.0(2) . . ?
C00H C009 Li1U 122.1(2) . . ?
C00R C009 Ag01 124.01(19) . . ?
C00R C009 Li1U 80.07(18) . . ?
C00B C00A C00F 119.5(2) . . ?
C00B C00A C00I 123.2(2) . . ?
C00B C00A Li1T 127.6(2) . . ?
C00F C00A Li1T 71.07(16) . . ?
C00I C00A C00F 116.9(2) . . ?
C00I C00A Li1T 65.86(17) . . ?
C00A C00B H00B 120.3 . . ?
C00Q C00B C00A 119.4(2) . . ?
C00Q C00B H00B 120.3 . . ?
O004 C00C N007 122.0(2) . . ?
O004 C00C C00R 117.1(2) . . ?
O004 C00C Li1U 45.18(15) . . ?
N007 C00C C00R 120.8(2) . . ?
N007 C00C Li1U 153.9(2) . . ?
C00R C00C Li1U 75.89(16) . . ?
N008 C00D H00D 107.4 . . ?
N008 C00D C00W 111.8(2) . . ?
N008 C00D C013 111.3(2) . . ?
C00W C00D H00D 107.4 . . ?
C013 C00D H00D 107.4 . . ?
C013 C00D C00W 111.3(2) . . ?
C00I C00E H00E 118.6 . . ?
C012 C00E H00E 118.6 . . ?
C012 C00E C00I 122.7(2) . . ?
O003 C00F N008 122.2(2) . . ?
O003 C00F C00A 116.8(2) . . ?
O003 C00F Li1T 44.21(15) . . ?
N008 C00F C00A 121.0(2) . . ?
N008 C00F Li1T 156.7(2) . . ?
C00A C00F Li1T 75.94(16) . . ?
H00A C00G H00C 109.5 . . ?
H00A C00G H00F 109.5 . . ?
H00C C00G H00F 109.5 . . ?
C00V C00G H00A 109.5 . . ?
C00V C00G H00C 109.5 . . ?
C00V C00G H00F 109.5 . . ?
C009 C00H H00H 118.4 . . ?
C00U C00H C009 123.2(2) . . ?
C00U C00H H00H 118.4 . . ?
Ag01 C00I Li1T 76.87(13) . . ?
C00A C00I Ag01 121.74(18) . . ?
C00A C00I Li1T 82.74(18) . . ?
C00E C00I Ag01 122.39(18) . . ?
C00E C00I C00A 115.1(2) . . ?
C00E C00I Li1T 120.2(2) . . ?
C018 C00J H3AA 119.9 . . ?
C01H C00J H3AA 119.9 . . ?
C01H C00J C018 120.1(3) . . ?
N005 C00K C00L 106.8(2) . . ?
N005 C00K C015 110.6(2) . . ?
N005 C00K C01C 115.0(2) . . ?
C00L C00K C015 107.9(2) . . ?
C00L C00K C01C 106.4(2) . . ?
C01C C00K C015 109.9(2) . . ?
C00K C00L H00G 109.5 . . ?
C00K C00L H00I 109.5 . . ?
C00K C00L H00J 109.5 . . ?
H00G C00L H00I 109.5 . . ?
H00G C00L H00J 109.5 . . ?
H00I C00L H00J 109.5 . . ?
C00R C00M H00M 120.1 . . ?
C00T C00M H00M 120.1 . . ?
C00T C00M C00R 119.8(2) . . ?
H00K C00N H00L 107.9 . . ?
C00Y C00N H00K 109.1 . . ?
C00Y C00N H00L 109.1 . . ?
C00Y C00N C016 112.3(2) . . ?
C016 C00N H00K 109.1 . . ?
C016 C00N H00L 109.1 . . ?
N007 C00O H00O 106.4 . . ?
N007 C00O C014 112.3(2) . . ?
N007 C00O C01G 112.3(2) . . ?
C014 C00O H00O 106.4 . . ?
C014 C00O C01G 112.5(2) . . ?
C01G C00O H00O 106.4 . . ?
N007 C00P H00P 107.2 . . ?
N007 C00P C01A 111.9(2) . . ?
N007 C00P C01D 111.1(2) . . ?
C01A C00P H00P 107.2 . . ?
C01A C00P C01D 112.0(2) . . ?
C01D C00P H00P 107.2 . . ?
C00B C00Q H00Q 120.2 . . ?
C00B C00Q C012 119.5(2) . . ?
C012 C00Q H00Q 120.2 . . ?
C009 C00R C00C 116.1(2) . . ?
C009 C00R Li1U 68.09(17) . . ?
C00C C00R Li1U 70.55(16) . . ?
C00M C00R C009 122.6(2) . . ?
C00M C00R C00C 120.8(2) . . ?
C00M C00R Li1U 125.6(2) . . ?
H00N C00S H00R 109.5 . . ?
H00N C00S H00S 109.5 . . ?
H00R C00S H00S 109.5 . . ?
C00X C00S H00N 109.5 . . ?
C00X C00S H00R 109.5 . . ?
C00X C00S H00S 109.5 . . ?
C00M C00T H00T 120.2 . . ?
C00M C00T C00U 119.6(2) . . ?
C00U C00T H00T 120.2 . . ?
C00H C00U C00T 119.8(2) . . ?
C00H C00U H00U 120.1 . . ?
C00T C00U H00U 120.1 . . ?
N006 C00V C00G 107.0(2) . . ?
N006 C00V C019 110.5(2) . . ?
N006 C00V C01P 114.8(2) . . ?
C00G C00V C019 108.1(2) . . ?
C00G C00V C01P 106.2(2) . . ?
C019 C00V C01P 110.0(2) . . ?
C00D C00W H00V 109.5 . . ?
C00D C00W H00W 109.5 . . ?
C00D C00W H00X 109.5 . . ?
H00V C00W H00W 109.5 . . ?
H00V C00W H00X 109.5 . . ?
H00W C00W H00X 109.5 . . ?
N008 C00X C00S 111.6(2) . . ?
N008 C00X H00Y 106.3 . . ?
N008 C00X C00Z 112.7(2) . . ?
C00S C00X H00Y 106.3 . . ?
C00Z C00X C00S 113.0(2) . . ?
C00Z C00X H00Y 106.3 . . ?
C00N C00Y H00Z 110.0 . . ?
C00N C00Y H 110.0 . . ?
C00N C00Y C019 108.6(2) . . ?
H00Z C00Y H 108.4 . . ?
C019 C00Y H00Z 110.0 . . ?
C019 C00Y H 110.0 . . ?
C00X C00Z H00 109.5 . . ?
C00X C00Z HA 109.5 . . ?
C00X C00Z HB 109.5 . . ?
H00 C00Z HA 109.5 . . ?
H00 C00Z HB 109.5 . . ?
HA C00Z HB 109.5 . . ?
H01A C010 H01B 108.3 . . ?
C011 C010 H01A 109.9 . . ?
C011 C010 H01B 109.9 . . ?
C015 C010 H01A 109.9 . . ?
C015 C010 H01B 109.9 . . ?
C015 C010 C011 109.0(2) . . ?
C010 C011 H01C 109.0 . . ?
C010 C011 H01D 109.0 . . ?
C010 C011 C017 113.0(2) . . ?
H01C C011 H01D 107.8 . . ?
C017 C011 H01C 109.0 . . ?
C017 C011 H01D 109.0 . . ?
C00E C012 C00Q 120.0(2) . . ?
C00E C012 H012 120.0 . . ?
C00Q C012 H012 120.0 . . ?
C00D C013 H01E 109.5 . . ?
C00D C013 H01F 109.5 . . ?
C00D C013 H01G 109.5 . . ?
H01E C013 H01F 109.5 . . ?
H01E C013 H01G 109.5 . . ?
H01F C013 H01G 109.5 . . ?
C00O C014 H01H 109.5 . . ?
C00O C014 H01I 109.5 . . ?
C00O C014 H01J 109.5 . . ?
H01H C014 H01I 109.5 . . ?
H01H C014 H01J 109.5 . . ?
H01I C014 H01J 109.5 . . ?
C00K C015 H01K 109.1 . . ?
C00K C015 H01L 109.1 . . ?
C010 C015 C00K 112.4(2) . . ?
C010 C015 H01K 109.1 . . ?
C010 C015 H01L 109.1 . . ?
H01K C015 H01L 107.9 . . ?
N006 C016 C00N 110.0(2) . . ?
N006 C016 C01I 107.3(2) . . ?
N006 C016 C01S 115.3(2) . . ?
C01I C016 C00N 107.3(2) . . ?
C01I C016 C01S 106.8(2) . . ?
C01S C016 C00N 109.9(2) . . ?
N005 C017 C011 110.4(2) . . ?
N005 C017 C01N 107.3(2) . . ?
N005 C017 C01O 115.1(2) . . ?
C01N C017 C011 107.4(2) . . ?
C01N C017 C01O 106.9(2) . . ?
C01O C017 C011 109.4(2) . . ?
C00J C018 H018 120.2 . . ?
C01B C018 C00J 119.6(3) . . ?
C01B C018 H018 120.2 . . ?
C00V C019 H01M 109.0 . . ?
C00V C019 H01N 109.0 . . ?
C00Y C019 C00V 113.0(2) . . ?
C00Y C019 H01M 109.0 . . ?
C00Y C019 H01N 109.0 . . ?
H01M C019 H01N 107.8 . . ?
C00P C01A H01O 109.5 . . ?
C00P C01A H01P 109.5 . . ?
C00P C01A H01Q 109.5 . . ?
H01O C01A H01P 109.5 . . ?
H01O C01A H01Q 109.5 . . ?
H01P C01A H01Q 109.5 . . ?
C018 C01B H4AA 119.8 . . ?
C018 C01B C01M 120.3(3) . . ?
C01M C01B H4AA 119.8 . . ?
C00K C01C H01R 109.5 . . ?
C00K C01C H01S 109.5 . . ?
C00K C01C H01T 109.5 . . ?
H01R C01C H01S 109.5 . . ?
H01R C01C H01T 109.5 . . ?
H01S C01C H01T 109.5 . . ?
C00P C01D H01U 109.5 . . ?
C00P C01D H01V 109.5 . . ?
C00P C01D H01W 109.5 . . ?
H01U C01D H01V 109.5 . . ?
H01U C01D H01W 109.5 . . ?
H01V C01D H01W 109.5 . . ?
C01H C01E H5AA 119.9 . . ?
C01H C01E C01M 120.2(3) . . ?
C01M C01E H5AA 119.9 . . ?
C01J C01F H8AA 120.0 . . ?
C01J C01F C01K 120.0(3) . . ?
C01K C01F H8AA 120.0 . . ?
C00O C01G H01X 109.5 . . ?
C00O C01G H01Y 109.5 . . ?
C00O C01G HC 109.5 . . ?
H01X C01G H01Y 109.5 . . ?
H01X C01G HC 109.5 . . ?
H01Y C01G HC 109.5 . . ?
C00J C01H C01E 120.0(3) . . ?
C00J C01H H6AA 120.0 . . ?
C01E C01H H6AA 120.0 . . ?
C016 C01I H01Z 109.5 . . ?
C016 C01I HD 109.5 . . ?
C016 C01I HE 109.5 . . ?
H01Z C01I HD 109.5 . . ?
H01Z C01I HE 109.5 . . ?
HD C01I HE 109.5 . . ?
C01F C01J H9AA 119.8 . . ?
C01F C01J C01L 120.4(3) . . ?
C01L C01J H9AA 119.8 . . ?
C01F C01K H0BA 120.0 . . ?
C01F C01K C01Q 120.0(3) . . ?
C01Q C01K H0BA 120.0 . . ?
C01J C01L H1BA 120.3 . . ?
C01R C01L C01J 119.4(3) . . ?
C01R C01L H1BA 120.3 . . ?
C01B C01M H7AA 120.1 . . ?
C01E C01M C01B 119.8(3) . . ?
C01E C01M H7AA 120.1 . . ?
C017 C01N H01 109.5 . . ?
C017 C01N HF 109.5 . . ?
C017 C01N HG 109.5 . . ?
H01 C01N HF 109.5 . . ?
H01 C01N HG 109.5 . . ?
HF C01N HG 109.5 . . ?
C017 C01O H0AA 109.5 . . ?
C017 C01O HH 109.5 . . ?
C017 C01O HI 109.5 . . ?
H0AA C01O HH 109.5 . . ?
H0AA C01O HI 109.5 . . ?
HH C01O HI 109.5 . . ?
C00V C01P H1AA 109.5 . . ?
C00V C01P HJ 109.5 . . ?
C00V C01P HK 109.5 . . ?
H1AA C01P HJ 109.5 . . ?
H1AA C01P HK 109.5 . . ?
HJ C01P HK 109.5 . . ?
C01K C01Q H2BA 119.9 . . ?
C01R C01Q C01K 120.1(3) . . ?
C01R C01Q H2BA 119.9 . . ?
C01L C01R H3BA 119.9 . . ?
C01Q C01R C01L 120.1(3) . . ?
C01Q C01R H3BA 119.9 . . ?
C016 C01S H2AA 109.5 . . ?
C016 C01S HL 109.5 . . ?
C016 C01S HM 109.5 . . ?
H2AA C01S HL 109.5 . . ?
H2AA C01S HM 109.5 . . ?
HL C01S HM 109.5 . . ?
Ag01 Li1T Ag02 74.79(11) . . ?
O003 Li1T Ag01 90.29(17) . . ?
O003 Li1T Ag02 150.6(2) . . ?
O003 Li1T N005 135.0(3) . . ?
O003 Li1T C00A 58.66(13) . . ?
O003 Li1T C00F 26.90(10) . . ?
O003 Li1T C00I 85.26(17) . . ?
N005 Li1T Ag01 117.8(2) . . ?
N005 Li1T Ag02 44.31(11) . . ?
N005 Li1T C00A 161.9(2) . . ?
N005 Li1T C00F 161.9(2) . . ?
N005 Li1T C00I 139.6(2) . . ?
C00A Li1T Ag01 67.77(11) . . ?
C00A Li1T Ag02 132.43(17) . . ?
C00F Li1T Ag01 73.17(12) . . ?
C00F Li1T Ag02 147.63(18) . . ?
C00F Li1T C00A 32.99(9) . . ?
C00I Li1T Ag01 45.95(10) . . ?
C00I Li1T Ag02 101.03(15) . . ?
C00I Li1T C00A 31.41(9) . . ?
C00I Li1T C00F 58.42(12) . . ?
Ag01 Li1U Ag02 75.71(11) . . ?
O004 Li1U Ag01 92.77(17) . . ?
O004 Li1U Ag02 154.6(2) . . ?
O004 Li1U N006 134.1(3) . . ?
O004 Li1U C009 86.43(18) . . ?
O004 Li1U C00C 27.79(10) . . ?
O004 Li1U C00R 59.86(14) . . ?
N006 Li1U Ag01 120.1(2) . . ?
N006 Li1U Ag02 45.56(11) . . ?
N006 Li1U C009 139.3(2) . . ?
N006 Li1U C00C 161.4(2) . . ?
N006 Li1U C00R 157.6(2) . . ?
C009 Li1U Ag01 45.82(9) . . ?
C009 Li1U Ag02 100.49(16) . . ?
C009 Li1U C00C 58.70(12) . . ?
C009 Li1U C00R 31.84(9) . . ?
C00C Li1U Ag01 74.68(12) . . ?
C00C Li1U Ag02 150.34(18) . . ?
C00C Li1U C00R 33.56(9) . . ?
C00R Li1U Ag01 69.20(11) . . ?
C00R Li1U Ag02 132.05(17) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.451
_oxdiff_exptl_absorpt_empirical_full_min 0.505
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
