#------------------------------------------------------------------------------
#$Date: 2020-10-06 10:25:46 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257366 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/74/1557459.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1557459
loop_
_publ_author_name
'Tezuka, Noriyuki'
'Hirano, Keiichi'
'Peel, Andrew J.'
'Wheatley, Andrew E. H.'
'Miyamoto, Kazunori'
'Uchiyama, Masanobu'
_publ_section_title
;
 Lipshutz-type bis(amido)argentates for directed ortho argentation
;
_journal_issue                   7
_journal_name_full               'Chemical Science'
_journal_page_first              1855
_journal_page_last               1861
_journal_paper_doi               10.1039/C9SC06060J
_journal_volume                  11
_journal_year                    2020
_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_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2019-10-18
_audit_creation_method
;
Olex2 1.2-ac3
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2019-10-18 deposited with the CCDC.	2020-01-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.316(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.3743(2)
_cell_length_b                   18.2477(2)
_cell_length_c                   22.9463(3)
_cell_measurement_reflns_used    16970
_cell_measurement_temperature    93
_cell_measurement_theta_max      75.9880
_cell_measurement_theta_min      3.3680
_cell_volume                     5449.49(13)
_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)'
_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_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_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              PhotonJet-S
_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_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_description       prism
_exptl_crystal_F_000             2264
_exptl_crystal_preparation       '4C in benzene'
_exptl_crystal_size_max          0.296
_exptl_crystal_size_mid          0.258
_exptl_crystal_size_min          0.186
_refine_diff_density_max         0.921
_refine_diff_density_min         -0.707
_refine_diff_density_rms         0.079
_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_restrained_S_all      1.131
_refine_ls_R_factor_all          0.0397
_refine_ls_R_factor_gt           0.0362
_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
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9060
_reflns_number_total             9918
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9sc06060j2.cif
_cod_data_source_block           exp_334
_cod_depositor_comments
'Adding full bibliography for 1557456--1557459.cif.'
_cod_database_code               1557459
_shelx_shelxl_version_number     2018/1
_chemical_oxdiff_formula         'C23 H36 Ag N3 O1 Li2 '
_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.
;
_reflns_odcompleteness_completeness 99.66
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     68.13
_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)
;
_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
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'
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 . . . . .
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'
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
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) . . ?
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_
_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
