#------------------------------------------------------------------------------
#$Date: 2020-06-05 12:38:17 +0200 (vie 05 de jun de 2020) $
#$Revision: 252752 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/39/7703925.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_7703925
loop_
_publ_author_name
'Aguirre Quintana, Luis M.'
'Jiang, Ningxin'
'Bacsa, John'
'La Pierre, Henry S.'
_publ_section_title
;
 Coinage metal tris(dialkylamido)imidophosphorane complexes as
 transmetallation reagents for cerium complexes.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5420
_journal_page_last               5423
_journal_paper_doi               10.1039/d0dt00842g
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C60 H120 Ag4 N16 P4'
_chemical_formula_sum            'C60 H120 Ag4 N16 P4'
_chemical_formula_weight         1621.07
_chemical_name_systematic        Ag4N16P4C60H120
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2020-01-02
_audit_creation_method
;
Olex2 1.2-alpha
(compiled 2017.06.07 svn.r3419 for OlexSys, GUI svn.r5353)
;
_audit_update_record
;
2020-02-27 deposited with the CCDC.	2020-04-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.657(8)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.417(4)
_cell_length_b                   15.104(2)
_cell_length_c                   40.405(8)
_cell_measurement_reflns_used    9363
_cell_measurement_temperature    100
_cell_measurement_theta_max      30.567
_cell_measurement_theta_min      2.436
_cell_volume                     14936(4)
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_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      100.0
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0658
_diffrn_reflns_av_unetI/netI     0.0669
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       52
_diffrn_reflns_limit_l_min       -52
_diffrn_reflns_number            52846
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.618
_diffrn_reflns_theta_min         2.192
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.165
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7262
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1493 before and 0.0876 after correction. The Ratio of minimum to maximum transmission is 0.7262. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.442
_exptl_crystal_description       prism
_exptl_crystal_F_000             6720
_exptl_crystal_preparation       N.A.
_exptl_crystal_recrystallization_method N.A.
_exptl_crystal_size_max          0.215
_exptl_crystal_size_mid          0.192
_exptl_crystal_size_min          0.163
_refine_diff_density_max         0.904
_refine_diff_density_min         -0.633
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     862
_refine_ls_number_reflns         17175
_refine_ls_number_restraints     97
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0563
_refine_ls_R_factor_gt           0.0455
_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)+(0.0334P)²+60.6437P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1135
_refine_ls_wR_factor_ref         0.1220
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14271
_reflns_number_total             17175
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt00842g2.cif
_cod_data_source_block           a668_0m
_cod_depositor_comments
'Adding full bibliography for 7703924--7703927.cif.'
_cod_original_cell_volume        14935(5)
_cod_database_code               7703925
_shelx_shelxl_version_number     2018/3
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C36A) \\sim Ueq, Uanis(C37A) \\sim Ueq, Uanis(C38A) \\sim Ueq,
Uanis(C39A) \\sim Ueq, Uanis(C40A) \\sim Ueq: with sigma of 0.002 and sigma for
terminal atoms of 0.004
Uanis(C40B) \\sim Ueq, Uanis(C39B) \\sim Ueq, Uanis(C38B) \\sim Ueq,
Uanis(C37B) \\sim Ueq, Uanis(C36B) \\sim Ueq: with sigma of 0.002 and sigma for
terminal atoms of 0.004
Uanis(N7A) = Uanis(N7B)
Uanis(C25A) = Uanis(C25B)
Uanis(C24A) = Uanis(C24B)
Uanis(C23A) = Uanis(C23B)
Uanis(C22A) = Uanis(C22B)
Uanis(C21A) = Uanis(C21B)
Uanis(N10A) = Uanis(N10B)
Uanis(C31A) = Uanis(C31B)
Uanis(C32A) = Uanis(C32B)
Uanis(C33A) = Uanis(C33B)
Uanis(C34A) = Uanis(C34B)
Uanis(C35A) = Uanis(C35B)
Uanis(N11A) = Uanis(N11B)
Uanis(N12A) = Uanis(N12B)
Uanis(C45A) = Uanis(C45B)
Uanis(C44A) = Uanis(C44B)
Uanis(C43A) = Uanis(C43B)
Uanis(C42A) = Uanis(C42B)
Uanis(C41A) = Uanis(C41B)
3. Same fragment restrains
{N7B, C21B, C22B, C23B, C24B, C25B} sigma for 1-2: 0.002, 1-3: 0.004
as
{N7A, C21A, C22A, C23A, C24A, C25A}
{N10B, C31B, C32B, C33B, C34B, C35B} sigma for 1-2: 0.002, 1-3: 0.004
as
{N10A, C31A, C32A, C33A, C34A, C35A}
{N12B, C41B} sigma for 1-2: 0.002, 1-3: 0.004
as
{N12A, C45A}
{N11B, C36B, C37B, C38B, C39B, C40B} sigma for 1-2: 0.002, 1-3: 0.004
as
{N11A, C36A, C37A, C38A, C39A, C40A}
4. Others
 Sof(N7B)=Sof(C21B)=Sof(H21C)=Sof(H21D)=Sof(C22B)=Sof(H22C)=Sof(H22D)=
 Sof(C23B)=Sof(H23C)=Sof(H23D)=Sof(C24B)=Sof(H24C)=Sof(H24D)=Sof(C25B)=
 Sof(H25C)=Sof(H25D)=1-FVAR(1)
 Sof(N7A)=Sof(C21A)=Sof(H21A)=Sof(H21B)=Sof(C22A)=Sof(H22A)=Sof(H22B)=
 Sof(C23A)=Sof(H23A)=Sof(H23B)=Sof(C24A)=Sof(H24A)=Sof(H24B)=Sof(C25A)=
 Sof(H25A)=Sof(H25B)=FVAR(1)
 Sof(N10B)=Sof(C31B)=Sof(H31C)=Sof(H31D)=Sof(C32B)=Sof(H32C)=Sof(H32D)=
 Sof(C33B)=Sof(H33C)=Sof(H33D)=Sof(C34B)=Sof(H34C)=Sof(H34D)=Sof(C35B)=
 Sof(H35C)=Sof(H35D)=Sof(N11A)=Sof(C36A)=Sof(H36C)=Sof(H36D)=Sof(C37A)=
 Sof(H37C)=Sof(H37D)=Sof(C38A)=Sof(H38C)=Sof(H38D)=Sof(C39A)=Sof(H39C)=
 Sof(H39D)=Sof(C40A)=Sof(H40C)=Sof(H40D)=1-FVAR(2)
 Sof(N10A)=Sof(C31A)=Sof(H31A)=Sof(H31B)=Sof(C32A)=Sof(H32A)=Sof(H32B)=
 Sof(C33A)=Sof(H33A)=Sof(H33B)=Sof(C34A)=Sof(H34A)=Sof(H34B)=Sof(C35A)=
 Sof(H35A)=Sof(H35B)=Sof(N11B)=Sof(C36B)=Sof(H36A)=Sof(H36B)=Sof(C37B)=
 Sof(H37A)=Sof(H37B)=Sof(C38B)=Sof(H38A)=Sof(H38B)=Sof(C39B)=Sof(H39A)=
 Sof(H39B)=Sof(C40B)=Sof(H40A)=Sof(H40B)=FVAR(2)
 Sof(N12B)=Sof(C41B)=Sof(H41C)=Sof(H41D)=Sof(C42B)=Sof(H42C)=Sof(H42D)=
 Sof(C43B)=Sof(H43C)=Sof(H43D)=Sof(C44B)=Sof(H44C)=Sof(H44D)=Sof(C45B)=
 Sof(H45C)=Sof(H45D)=1-FVAR(3)
 Sof(N12A)=Sof(C45A)=Sof(H45A)=Sof(H45B)=Sof(C44A)=Sof(H44A)=Sof(H44B)=
 Sof(C43A)=Sof(H43A)=Sof(H43B)=Sof(C42A)=Sof(H42A)=Sof(H42B)=Sof(C41A)=
 Sof(H41A)=Sof(H41B)=FVAR(3)
5.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B),
 C7(H7A,H7B), C8(H8A,H8B), C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B),
 C12(H12A,H12B), C13(H13A,H13B), C14(H14A,H14B), C15(H15A,H15B), C16(H16A,H16B),
  C17(H17A,H17B), C18(H18A,H18B), C19(H19A,H19B), C20(H20A,H20B), C26(H26A,
 H26B), C27(H27A,H27B), C28(H28A,H28B), C29(H29A,H29B), C30(H30A,H30B),
 C46(H46A,H46B), C47(H47A,H47B), C48(H48A,H48B), C49(H49A,H49B), C50(H50A,H50B),
  C51(H51A,H51B), C52(H52A,H52B), C53(H53A,H53B), C54(H54A,H54B), C55(H55A,
 H55B), C56(H56A,H56B), C57(H57A,H57B), C58(H58A,H58B), C59(H59A,H59B),
 C60(H60A,H60B), C21A(H21A,H21B), C22A(H22A,H22B), C23A(H23A,H23B), C24A(H24A,
 H24B), C25A(H25A,H25B), C31A(H31A,H31B), C32A(H32A,H32B), C33A(H33A,H33B),
 C34A(H34A,H34B), C35A(H35A,H35B), C36B(H36A,H36B), C37B(H37A,H37B), C38B(H38A,
 H38B), C39B(H39A,H39B), C40B(H40A,H40B), C45A(H45A,H45B), C44A(H44A,H44B),
 C43A(H43A,H43B), C42A(H42A,H42B), C41A(H41A,H41B), C21B(H21C,H21D), C22B(H22C,
 H22D), C23B(H23C,H23D), C24B(H24C,H24D), C25B(H25C,H25D), C31B(H31C,H31D),
 C32B(H32C,H32D), C33B(H33C,H33D), C34B(H34C,H34D), C35B(H35C,H35D), C36A(H36C,
 H36D), C37A(H37C,H37D), C38A(H38C,H38D), C39A(H39C,H39D), C40A(H40C,H40D),
 C41B(H41C,H41D), C42B(H42C,H42D), C43B(H43C,H43D), C44B(H44C,H44D), C45B(H45C,
 H45D)
;
_olex2_exptl_crystal_mounting_method N.A.
_olex2_submission_original_sample_id Ag4(Pipen)4
_olex2_submission_special_instructions 'No special instructions were received'
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'
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 0.31082(2) 0.19791(2) 0.44405(2) 0.02421(7) Uani 1 1 d . . . . .
Ag2 Ag 0.23907(2) 0.07140(2) 0.39669(2) 0.02931(8) Uani 1 1 d . . . . .
Ag3 Ag 0.17970(2) 0.21947(2) 0.35739(2) 0.03396(8) Uani 1 1 d . . . . .
Ag4 Ag 0.25115(2) 0.34901(2) 0.40453(2) 0.02726(7) Uani 1 1 d . . . . .
P1 P 0.36552(4) 0.06284(6) 0.40778(3) 0.0289(2) Uani 1 1 d . . . . .
P2 P 0.12324(4) 0.01593(7) 0.34714(3) 0.0338(2) Uani 1 1 d . . . . .
P3 P 0.18132(5) 0.41191(7) 0.32552(3) 0.0371(2) Uani 1 1 d . . . . .
P4 P 0.32666(4) 0.39351(6) 0.48154(2) 0.02305(18) Uani 1 1 d . . . . .
N1 N 0.32005(13) 0.06945(19) 0.42690(8) 0.0285(6) Uani 1 1 d . . . . .
N2 N 0.36589(14) 0.1239(2) 0.37291(9) 0.0349(7) Uani 1 1 d . . . . .
N3 N 0.42596(13) 0.0932(2) 0.43394(9) 0.0326(7) Uani 1 1 d . . . . .
N4 N 0.36791(15) -0.0401(2) 0.39301(9) 0.0367(8) Uani 1 1 d . . . . .
N5 N 0.15908(14) 0.0912(2) 0.36709(9) 0.0368(8) Uani 1 1 d . . . . .
N6 N 0.12201(14) -0.0802(2) 0.36822(9) 0.0358(7) Uani 1 1 d . . . . .
N8 N 0.05686(15) 0.0430(2) 0.33612(9) 0.0403(8) Uani 1 1 d . . . . .
N9 N 0.21002(17) 0.3452(3) 0.35315(9) 0.0486(10) Uani 1 1 d . . . . .
N13 N 0.29380(12) 0.32723(18) 0.45487(7) 0.0247(6) Uani 1 1 d . . . . .
N14 N 0.29207(13) 0.48466(19) 0.48807(8) 0.0263(6) Uani 1 1 d . . . . .
N15 N 0.37985(12) 0.44238(19) 0.47198(8) 0.0281(6) Uani 1 1 d . . . . .
N16 N 0.35047(12) 0.34454(19) 0.51938(8) 0.0259(6) Uani 1 1 d . . . . .
C1 C 0.3718(2) 0.2216(3) 0.37737(12) 0.0444(11) Uani 1 1 d . . . . .
H1A H 0.398690 0.235039 0.399529 0.053 Uiso 1 1 calc R . . . .
H1B H 0.336284 0.247746 0.377838 0.053 Uiso 1 1 calc R . . . .
C2 C 0.3906(2) 0.2618(3) 0.34815(14) 0.0590(14) Uani 1 1 d . . . . .
H2A H 0.393394 0.326842 0.351068 0.071 Uiso 1 1 calc R . . . .
H2B H 0.427335 0.238724 0.348788 0.071 Uiso 1 1 calc R . . . .
C3 C 0.3512(3) 0.2401(4) 0.31374(15) 0.0690(16) Uani 1 1 d . . . . .
H3A H 0.366143 0.261826 0.295000 0.083 Uiso 1 1 calc R . . . .
H3B H 0.315901 0.270139 0.311744 0.083 Uiso 1 1 calc R . . . .
C4 C 0.3421(2) 0.1395(4) 0.31019(13) 0.0594(14) Uani 1 1 d . . . . .
H4A H 0.313636 0.126486 0.288661 0.071 Uiso 1 1 calc R . . . .
H4B H 0.376381 0.110215 0.308927 0.071 Uiso 1 1 calc R . . . .
C5 C 0.32460(19) 0.1033(3) 0.34064(11) 0.0439(10) Uani 1 1 d . . . . .
H5A H 0.289132 0.129732 0.341038 0.053 Uiso 1 1 calc R . . . .
H5B H 0.319771 0.038352 0.338298 0.053 Uiso 1 1 calc R . . . .
C6 C 0.43719(16) 0.0716(3) 0.47043(11) 0.0352(9) Uani 1 1 d . . . . .
H6A H 0.456935 0.014481 0.475039 0.042 Uiso 1 1 calc R . . . .
H6B H 0.402318 0.065256 0.476699 0.042 Uiso 1 1 calc R . . . .
C7 C 0.47123(19) 0.1434(3) 0.49198(12) 0.0450(10) Uani 1 1 d . . . . .
H7A H 0.480030 0.126363 0.516524 0.054 Uiso 1 1 calc R . . . .
H7B H 0.449832 0.199018 0.489071 0.054 Uiso 1 1 calc R . . . .
C8 C 0.5244(2) 0.1594(3) 0.48191(14) 0.0515(12) Uani 1 1 d . . . . .
H8A H 0.543493 0.211610 0.494409 0.062 Uiso 1 1 calc R . . . .
H8B H 0.548664 0.107392 0.488363 0.062 Uiso 1 1 calc R . . . .
C9 C 0.51183(19) 0.1750(3) 0.44352(14) 0.0485(11) Uani 1 1 d . . . . .
H9A H 0.546504 0.178515 0.436863 0.058 Uiso 1 1 calc R . . . .
H9B H 0.492657 0.232366 0.437792 0.058 Uiso 1 1 calc R . . . .
C10 C 0.47635(18) 0.1012(3) 0.42304(12) 0.0419(10) Uani 1 1 d . . . . .
H10A H 0.467261 0.114975 0.398176 0.050 Uiso 1 1 calc R . . . .
H10B H 0.496611 0.044520 0.426967 0.050 Uiso 1 1 calc R . . . .
C11 C 0.33307(17) -0.1117(3) 0.39838(12) 0.0381(9) Uani 1 1 d . . . . .
H11A H 0.309515 -0.131662 0.375912 0.046 Uiso 1 1 calc R . . . .
H11B H 0.309102 -0.090025 0.412314 0.046 Uiso 1 1 calc R . . . .
C12 C 0.3668(2) -0.1887(3) 0.41653(14) 0.0525(12) Uani 1 1 d . . . . .
H12A H 0.342198 -0.238163 0.418500 0.063 Uiso 1 1 calc R . . . .
H12B H 0.387118 -0.170551 0.440034 0.063 Uiso 1 1 calc R . . . .
C13 C 0.4073(2) -0.2203(3) 0.39682(15) 0.0510(12) Uani 1 1 d . . . . .
H13A H 0.431267 -0.266805 0.410203 0.061 Uiso 1 1 calc R . . . .
H13B H 0.386996 -0.245980 0.374478 0.061 Uiso 1 1 calc R . . . .
C14 C 0.44168(18) -0.1429(3) 0.39083(13) 0.0460(11) Uani 1 1 d . . . . .
H14A H 0.465574 -0.122529 0.413127 0.055 Uiso 1 1 calc R . . . .
H14B H 0.465300 -0.162425 0.376336 0.055 Uiso 1 1 calc R . . . .
C15 C 0.4061(2) -0.0676(3) 0.37347(12) 0.0420(10) Uani 1 1 d . . . . .
H15A H 0.429472 -0.016804 0.371152 0.050 Uiso 1 1 calc R . . . .
H15B H 0.385288 -0.086137 0.350109 0.050 Uiso 1 1 calc R . . . .
C16 C 0.17165(17) -0.1361(3) 0.37453(12) 0.0414(10) Uani 1 1 d . . . . .
H16A H 0.200741 -0.111072 0.393683 0.050 Uiso 1 1 calc R . . . .
H16B H 0.185167 -0.137257 0.353741 0.050 Uiso 1 1 calc R . . . .
C17 C 0.1582(2) -0.2301(3) 0.38352(14) 0.0530(12) Uani 1 1 d . . . . .
H17A H 0.191536 -0.267014 0.388237 0.064 Uiso 1 1 calc R . . . .
H17B H 0.130724 -0.256258 0.363757 0.064 Uiso 1 1 calc R . . . .
C18 C 0.1358(2) -0.2297(3) 0.41508(16) 0.0567(14) Uani 1 1 d . . . . .
H18A H 0.123749 -0.290091 0.419159 0.068 Uiso 1 1 calc R . . . .
H18B H 0.164894 -0.211440 0.435591 0.068 Uiso 1 1 calc R . . . .
C19 C 0.0877(2) -0.1659(3) 0.40954(15) 0.0556(13) Uani 1 1 d . . . . .
H19A H 0.056537 -0.188755 0.391152 0.067 Uiso 1 1 calc R . . . .
H19B H 0.075899 -0.161197 0.430924 0.067 Uiso 1 1 calc R . . . .
C20 C 0.10397(19) -0.0753(3) 0.39958(12) 0.0416(10) Uani 1 1 d . . . . .
H20A H 0.072432 -0.034515 0.395928 0.050 Uiso 1 1 calc R . . . .
H20B H 0.133884 -0.051345 0.418505 0.050 Uiso 1 1 calc R . . . .
C26 C 0.01202(19) -0.0207(3) 0.32564(14) 0.0526(12) Uani 1 1 d . . . . .
H26A H 0.024146 -0.079288 0.335866 0.063 Uiso 1 1 calc R . . . .
H26B H 0.001447 -0.027085 0.300312 0.063 Uiso 1 1 calc R . . . .
C27 C -0.0366(2) 0.0104(4) 0.33731(19) 0.0703(17) Uani 1 1 d . . . . .
H27A H -0.067274 -0.031565 0.329015 0.084 Uiso 1 1 calc R . . . .
H27B H -0.026927 0.010801 0.362746 0.084 Uiso 1 1 calc R . . . .
C28 C -0.0546(2) 0.1017(4) 0.32406(16) 0.0640(15) Uani 1 1 d . . . . .
H28A H -0.083820 0.122695 0.334135 0.077 Uiso 1 1 calc R . . . .
H28B H -0.069595 0.099850 0.298765 0.077 Uiso 1 1 calc R . . . .
C29 C -0.0063(2) 0.1655(4) 0.33354(15) 0.0640(15) Uani 1 1 d . . . . .
H29A H -0.017501 0.223538 0.322452 0.077 Uiso 1 1 calc R . . . .
H29B H 0.004744 0.174662 0.358734 0.077 Uiso 1 1 calc R . . . .
C30 C 0.04092(19) 0.1307(3) 0.32238(14) 0.0544(13) Uani 1 1 d . . . . .
H30A H 0.031146 0.128373 0.296965 0.065 Uiso 1 1 calc R . . . .
H30B H 0.072289 0.171599 0.330184 0.065 Uiso 1 1 calc R . . . .
C46 C 0.26735(18) 0.5377(2) 0.45723(10) 0.0335(8) Uani 1 1 d . . . . .
H46A H 0.234397 0.507209 0.443160 0.040 Uiso 1 1 calc R . . . .
H46B H 0.293634 0.543661 0.443197 0.040 Uiso 1 1 calc R . . . .
C47 C 0.2517(2) 0.6295(3) 0.46725(12) 0.0459(11) Uani 1 1 d . . . . .
H47A H 0.284774 0.660919 0.480651 0.055 Uiso 1 1 calc R . . . .
H47B H 0.235258 0.664414 0.446279 0.055 Uiso 1 1 calc R . . . .
C48 C 0.2109(2) 0.6209(3) 0.48868(13) 0.0483(11) Uani 1 1 d . . . . .
H48A H 0.176228 0.595748 0.474412 0.058 Uiso 1 1 calc R . . . .
H48B H 0.203169 0.680050 0.496770 0.058 Uiso 1 1 calc R . . . .
C49 C 0.23442(19) 0.5606(3) 0.51953(11) 0.0388(9) Uani 1 1 d . . . . .
H49A H 0.266037 0.590239 0.535427 0.047 Uiso 1 1 calc R . . . .
H49B H 0.206369 0.550683 0.532031 0.047 Uiso 1 1 calc R . . . .
C50 C 0.25263(16) 0.4715(2) 0.50867(10) 0.0302(8) Uani 1 1 d . . . . .
H50A H 0.269841 0.435908 0.529332 0.036 Uiso 1 1 calc R . . . .
H50B H 0.220424 0.438570 0.494920 0.036 Uiso 1 1 calc R . . . .
C51 C 0.40432(17) 0.5288(3) 0.48387(10) 0.0356(9) Uani 1 1 d . . . . .
H51A H 0.439523 0.519845 0.501443 0.043 Uiso 1 1 calc R . . . .
H51B H 0.379733 0.562155 0.494637 0.043 Uiso 1 1 calc R . . . .
C52 C 0.41396(19) 0.5824(3) 0.45392(12) 0.0424(10) Uani 1 1 d . . . . .
H52A H 0.378348 0.597871 0.437783 0.051 Uiso 1 1 calc R . . . .
H52B H 0.433069 0.638225 0.462764 0.051 Uiso 1 1 calc R . . . .
C53 C 0.44812(18) 0.5300(3) 0.43484(12) 0.0427(10) Uani 1 1 d . . . . .
H53A H 0.485861 0.523620 0.449742 0.051 Uiso 1 1 calc R . . . .
H53B H 0.449811 0.562770 0.413931 0.051 Uiso 1 1 calc R . . . .
C54 C 0.42344(17) 0.4378(3) 0.42466(11) 0.0377(9) Uani 1 1 d . . . . .
H54A H 0.388166 0.443897 0.406897 0.045 Uiso 1 1 calc R . . . .
H54B H 0.448385 0.402638 0.414793 0.045 Uiso 1 1 calc R . . . .
C55 C 0.41437(16) 0.3898(3) 0.45596(11) 0.0355(9) Uani 1 1 d . . . . .
H55A H 0.396819 0.331830 0.448786 0.043 Uiso 1 1 calc R . . . .
H55B H 0.450034 0.378874 0.472826 0.043 Uiso 1 1 calc R . . . .
C56 C 0.39167(16) 0.3849(3) 0.54774(9) 0.0322(8) Uani 1 1 d . . . . .
H56A H 0.374295 0.406307 0.565419 0.039 Uiso 1 1 calc R . . . .
H56B H 0.408382 0.436217 0.539199 0.039 Uiso 1 1 calc R . . . .
C57 C 0.43561(17) 0.3171(3) 0.56352(11) 0.0424(10) Uani 1 1 d . . . . .
H57A H 0.462913 0.343951 0.583189 0.051 Uiso 1 1 calc R . . . .
H57B H 0.454608 0.298612 0.546246 0.051 Uiso 1 1 calc R . . . .
C58 C 0.40967(17) 0.2360(3) 0.57580(11) 0.0408(10) Uani 1 1 d . . . . .
H58A H 0.437990 0.190232 0.584264 0.049 Uiso 1 1 calc R . . . .
H58B H 0.394731 0.253315 0.595090 0.049 Uiso 1 1 calc R . . . .
C59 C 0.36397(15) 0.1978(2) 0.54666(10) 0.0295(8) Uani 1 1 d . . . . .
H59A H 0.379718 0.172029 0.528921 0.035 Uiso 1 1 calc R . . . .
H59B H 0.345141 0.149887 0.555709 0.035 Uiso 1 1 calc R . . . .
C60 C 0.32289(14) 0.2697(2) 0.53054(9) 0.0262(7) Uani 1 1 d . . . . .
H60A H 0.295168 0.245006 0.510566 0.031 Uiso 1 1 calc R . . . .
H60B H 0.303872 0.290330 0.547520 0.031 Uiso 1 1 calc R . . . .
N7A N 0.1306(8) -0.0068(10) 0.3078(3) 0.0330(14) Uani 0.255(6) 1 d D . P A 1
C21A C 0.0992(5) -0.0718(9) 0.2831(4) 0.0397(14) Uani 0.255(6) 1 d D . P A 1
H21A H 0.073599 -0.040589 0.263774 0.048 Uiso 0.255(6) 1 calc R . P A 1
H21B H 0.077658 -0.109961 0.294433 0.048 Uiso 0.255(6) 1 calc R . P A 1
C22A C 0.1388(7) -0.1287(9) 0.2694(4) 0.0622(19) Uani 0.255(6) 1 d D . P A 1
H22A H 0.161288 -0.164983 0.288407 0.075 Uiso 0.255(6) 1 calc R . P A 1
H22B H 0.117530 -0.169463 0.251575 0.075 Uiso 0.255(6) 1 calc R . P A 1
C23A C 0.1750(8) -0.0743(12) 0.2546(5) 0.064(2) Uani 0.255(6) 1 d D . P A 1
H23A H 0.166387 -0.085823 0.229630 0.077 Uiso 0.255(6) 1 calc R . P A 1
H23B H 0.213325 -0.092266 0.265053 0.077 Uiso 0.255(6) 1 calc R . P A 1
C24A C 0.1690(9) 0.0293(11) 0.2608(4) 0.081(3) Uani 0.255(6) 1 d D . P A 1
H24A H 0.202075 0.059652 0.258074 0.098 Uiso 0.255(6) 1 calc R . P A 1
H24B H 0.137410 0.052028 0.242665 0.098 Uiso 0.255(6) 1 calc R . P A 1
C25A C 0.1619(8) 0.0513(11) 0.2921(5) 0.070(2) Uani 0.255(6) 1 d D . P A 1
H25A H 0.144396 0.110381 0.289778 0.083 Uiso 0.255(6) 1 calc R . P A 1
H25B H 0.198628 0.057801 0.308292 0.083 Uiso 0.255(6) 1 calc R . P A 1
N10A N 0.1606(11) 0.3659(8) 0.2861(2) 0.0394(10) Uani 0.324(3) 1 d D . P B 1
C31A C 0.1741(5) 0.2760(7) 0.2765(3) 0.0550(18) Uani 0.324(3) 1 d D . P B 1
H31A H 0.140559 0.239500 0.269753 0.066 Uiso 0.324(3) 1 calc R . P B 1
H31B H 0.200039 0.247319 0.296313 0.066 Uiso 0.324(3) 1 calc R . P B 1
C32A C 0.1996(5) 0.2828(8) 0.2465(3) 0.062(2) Uani 0.324(3) 1 d D . P B 1
H32A H 0.235108 0.313979 0.254229 0.075 Uiso 0.324(3) 1 calc R . P B 1
H32B H 0.206709 0.222545 0.239114 0.075 Uiso 0.324(3) 1 calc R . P B 1
C33A C 0.1631(6) 0.3320(8) 0.2163(2) 0.0565(19) Uani 0.324(3) 1 d D . P B 1
H33A H 0.130053 0.296097 0.206181 0.068 Uiso 0.324(3) 1 calc R . P B 1
H33B H 0.182693 0.340758 0.198478 0.068 Uiso 0.324(3) 1 calc R . P B 1
C34A C 0.1461(5) 0.4216(6) 0.2274(3) 0.0480(15) Uani 0.324(3) 1 d D . P B 1
H34A H 0.178360 0.461070 0.234071 0.058 Uiso 0.324(3) 1 calc R . P B 1
H34B H 0.118889 0.449416 0.207912 0.058 Uiso 0.324(3) 1 calc R . P B 1
C35A C 0.1217(5) 0.4104(7) 0.2575(3) 0.0429(14) Uani 0.324(3) 1 d D . P B 1
H35A H 0.112246 0.469119 0.265142 0.052 Uiso 0.324(3) 1 calc R . P B 1
H35B H 0.087760 0.374950 0.250267 0.052 Uiso 0.324(3) 1 calc R . P B 1
N11B N 0.1229(4) 0.4421(9) 0.3341(3) 0.0379(15) Uani 0.324(3) 1 d D . P B 1
C36B C 0.0752(4) 0.3875(7) 0.3271(3) 0.037(3) Uani 0.324(3) 1 d D U P B 1
H36A H 0.078503 0.344933 0.346161 0.045 Uiso 0.324(3) 1 calc R . P B 1
H36B H 0.072484 0.353221 0.305798 0.045 Uiso 0.324(3) 1 calc R . P B 1
C37B C 0.0235(4) 0.4421(8) 0.3228(3) 0.043(3) Uani 0.324(3) 1 d D U P B 1
H37A H -0.008642 0.402307 0.318159 0.052 Uiso 0.324(3) 1 calc R . P B 1
H37B H 0.018901 0.482512 0.302928 0.052 Uiso 0.324(3) 1 calc R . P B 1
C38B C 0.0264(5) 0.4966(9) 0.3555(4) 0.071(5) Uani 0.324(3) 1 d D U P B 1
H38A H 0.027878 0.456957 0.375214 0.086 Uiso 0.324(3) 1 calc R . P B 1
H38B H -0.006020 0.535399 0.352040 0.086 Uiso 0.324(3) 1 calc R . P B 1
C39B C 0.0813(5) 0.5550(8) 0.3624(4) 0.058(4) Uani 0.324(3) 1 d D U P B 1
H39A H 0.077908 0.598117 0.343444 0.070 Uiso 0.324(3) 1 calc R . P B 1
H39B H 0.086506 0.588535 0.384079 0.070 Uiso 0.324(3) 1 calc R . P B 1
C40B C 0.1281(4) 0.4983(11) 0.3646(3) 0.031(4) Uani 0.324(3) 1 d D U P B 1
H40A H 0.133292 0.459774 0.385070 0.038 Uiso 0.324(3) 1 calc R . P B 1
H40B H 0.161084 0.535618 0.367917 0.038 Uiso 0.324(3) 1 calc R . P B 1
N12A N 0.2303(12) 0.490(3) 0.3202(11) 0.036(2) Uani 0.303(12) 1 d D . P B 1
C45A C 0.2906(11) 0.501(4) 0.3413(13) 0.049(2) Uani 0.303(12) 1 d D . P B 1
H45A H 0.295778 0.463551 0.362104 0.059 Uiso 0.303(12) 1 calc R . P B 1
H45B H 0.313506 0.474464 0.327502 0.059 Uiso 0.303(12) 1 calc R . P B 1
C44A C 0.3073(10) 0.5641(14) 0.3496(5) 0.053(2) Uani 0.303(12) 1 d . . P B 1
H44A H 0.347439 0.560046 0.353593 0.064 Uiso 0.303(12) 1 calc R . P B 1
H44B H 0.300385 0.576251 0.372112 0.064 Uiso 0.303(12) 1 calc R . P B 1
C43A C 0.287(2) 0.648(3) 0.3258(13) 0.068(4) Uani 0.303(12) 1 d . . P B 1
H43A H 0.305843 0.701889 0.336647 0.082 Uiso 0.303(12) 1 calc R . P B 1
H43B H 0.294265 0.639523 0.303133 0.082 Uiso 0.303(12) 1 calc R . P B 1
C42A C 0.2288(14) 0.653(2) 0.3223(7) 0.047(2) Uani 0.303(12) 1 d . . P B 1
H42A H 0.213779 0.705482 0.308284 0.056 Uiso 0.303(12) 1 calc R . P B 1
H42B H 0.222774 0.661012 0.345331 0.056 Uiso 0.303(12) 1 calc R . P B 1
C41A C 0.1973(10) 0.5695(14) 0.3053(5) 0.0391(18) Uani 0.303(12) 1 d . . P B 1
H41A H 0.161002 0.567000 0.309868 0.047 Uiso 0.303(12) 1 calc R . P B 1
H41B H 0.191957 0.571438 0.280112 0.047 Uiso 0.303(12) 1 calc R . P B 1
N7B N 0.1426(2) -0.0209(4) 0.31283(12) 0.0330(14) Uani 0.745(6) 1 d D . P A 2
C21B C 0.1153(2) -0.0963(4) 0.29202(13) 0.0397(14) Uani 0.745(6) 1 d D . P A 2
H21C H 0.079928 -0.108192 0.296987 0.048 Uiso 0.745(6) 1 calc R . P A 2
H21D H 0.138364 -0.149876 0.297919 0.048 Uiso 0.745(6) 1 calc R . P A 2
C22B C 0.1058(3) -0.0747(5) 0.25376(16) 0.0622(19) Uani 0.745(6) 1 d D . P A 2
H22C H 0.088529 -0.126163 0.239863 0.075 Uiso 0.745(6) 1 calc R . P A 2
H22D H 0.080427 -0.023882 0.247673 0.075 Uiso 0.745(6) 1 calc R . P A 2
C23B C 0.1573(3) -0.0529(6) 0.24531(16) 0.064(2) Uani 0.745(6) 1 d D . P A 2
H23C H 0.148726 -0.026319 0.222076 0.077 Uiso 0.745(6) 1 calc R . P A 2
H23D H 0.178105 -0.108120 0.244882 0.077 Uiso 0.745(6) 1 calc R . P A 2
C24B C 0.1944(4) 0.0144(7) 0.2724(2) 0.081(3) Uani 0.745(6) 1 d D . P A 2
H24C H 0.232485 0.009955 0.270812 0.098 Uiso 0.745(6) 1 calc R . P A 2
H24D H 0.181587 0.075475 0.265835 0.098 Uiso 0.745(6) 1 calc R . P A 2
C25B C 0.1939(3) 0.0001(6) 0.30570(18) 0.070(2) Uani 0.745(6) 1 d D . P A 2
H25C H 0.208757 0.053791 0.319027 0.083 Uiso 0.745(6) 1 calc R . P A 2
H25D H 0.219640 -0.048874 0.314798 0.083 Uiso 0.745(6) 1 calc R . P A 2
N10B N 0.1596(6) 0.3764(4) 0.28502(14) 0.0394(10) Uani 0.676(3) 1 d D . P B 2
C31B C 0.1138(3) 0.3126(5) 0.27748(16) 0.0550(18) Uani 0.676(3) 1 d D . P B 2
H31C H 0.086221 0.330930 0.289365 0.066 Uiso 0.676(3) 1 calc R . P B 2
H31D H 0.127324 0.253028 0.285860 0.066 Uiso 0.676(3) 1 calc R . P B 2
C32B C 0.0880(3) 0.3100(6) 0.23881(18) 0.062(2) Uani 0.676(3) 1 d D . P B 2
H32C H 0.058617 0.264972 0.233537 0.075 Uiso 0.676(3) 1 calc R . P B 2
H32D H 0.071363 0.368207 0.231064 0.075 Uiso 0.676(3) 1 calc R . P B 2
C33B C 0.1296(3) 0.2880(5) 0.21934(17) 0.0565(19) Uani 0.676(3) 1 d D . P B 2
H33C H 0.112275 0.293134 0.194343 0.068 Uiso 0.676(3) 1 calc R . P B 2
H33D H 0.142027 0.226046 0.224266 0.068 Uiso 0.676(3) 1 calc R . P B 2
C34B C 0.1786(3) 0.3500(5) 0.22952(17) 0.0480(15) Uani 0.676(3) 1 d D . P B 2
H34C H 0.207081 0.330061 0.218606 0.058 Uiso 0.676(3) 1 calc R . P B 2
H34D H 0.167327 0.410590 0.221261 0.058 Uiso 0.676(3) 1 calc R . P B 2
C35B C 0.2018(3) 0.3510(4) 0.26830(16) 0.0429(14) Uani 0.676(3) 1 d D . P B 2
H35C H 0.216043 0.291437 0.276318 0.052 Uiso 0.676(3) 1 calc R . P B 2
H35D H 0.232581 0.393439 0.274687 0.052 Uiso 0.676(3) 1 calc R . P B 2
N11A N 0.1228(2) 0.4620(4) 0.32795(15) 0.0379(15) Uani 0.676(3) 1 d D . P B 2
C36A C 0.0871(4) 0.5165(6) 0.3027(2) 0.076(3) Uani 0.676(3) 1 d D U P B 2
H36C H 0.087745 0.496323 0.279484 0.091 Uiso 0.676(3) 1 calc R . P B 2
H36D H 0.100349 0.578357 0.305533 0.091 Uiso 0.676(3) 1 calc R . P B 2
C37A C 0.0287(5) 0.5132(9) 0.3056(3) 0.152(6) Uani 0.676(3) 1 d D U P B 2
H37C H 0.014557 0.451984 0.301542 0.182 Uiso 0.676(3) 1 calc R . P B 2
H37D H 0.005220 0.551910 0.287854 0.182 Uiso 0.676(3) 1 calc R . P B 2
C38A C 0.0263(5) 0.5442(8) 0.3415(3) 0.121(5) Uani 0.676(3) 1 d D U P B 2
H38C H -0.011300 0.538621 0.343952 0.146 Uiso 0.676(3) 1 calc R . P B 2
H38D H 0.037962 0.606720 0.345403 0.146 Uiso 0.676(3) 1 calc R . P B 2
C39A C 0.0675(5) 0.4804(9) 0.3685(3) 0.140(6) Uani 0.676(3) 1 d D U P B 2
H39C H 0.069229 0.499068 0.392260 0.169 Uiso 0.676(3) 1 calc R . P B 2
H39D H 0.053880 0.418724 0.365435 0.169 Uiso 0.676(3) 1 calc R . P B 2
C40A C 0.1215(4) 0.4846(11) 0.3632(3) 0.097(6) Uani 0.676(3) 1 d D U P B 2
H40C H 0.145922 0.443578 0.379404 0.117 Uiso 0.676(3) 1 calc R . P B 2
H40D H 0.136142 0.545277 0.368525 0.117 Uiso 0.676(3) 1 calc R . P B 2
N12B N 0.2195(5) 0.4974(10) 0.3246(4) 0.036(2) Uani 0.697(12) 1 d D . P B 2
C41B C 0.2106(4) 0.5662(5) 0.2951(2) 0.0391(18) Uani 0.697(12) 1 d D . P B 2
H41C H 0.237369 0.556736 0.281657 0.047 Uiso 0.697(12) 1 calc R . P B 2
H41D H 0.173338 0.560430 0.279518 0.047 Uiso 0.697(12) 1 calc R . P B 2
C42B C 0.2182(5) 0.6567(8) 0.3115(3) 0.047(2) Uani 0.697(12) 1 d . . P B 2
H42C H 0.191967 0.664982 0.325447 0.056 Uiso 0.697(12) 1 calc R . P B 2
H42D H 0.210941 0.702824 0.293406 0.056 Uiso 0.697(12) 1 calc R . P B 2
C43B C 0.2773(8) 0.6663(9) 0.3346(5) 0.068(4) Uani 0.697(12) 1 d . . P B 2
H43C H 0.303093 0.666323 0.320140 0.082 Uiso 0.697(12) 1 calc R . P B 2
H43D H 0.281072 0.723560 0.347000 0.082 Uiso 0.697(12) 1 calc R . P B 2
C44B C 0.2918(4) 0.5910(6) 0.3606(2) 0.053(2) Uani 0.697(12) 1 d . . P B 2
H44C H 0.270698 0.596704 0.377822 0.064 Uiso 0.697(12) 1 calc R . P B 2
H44D H 0.331197 0.592980 0.372757 0.064 Uiso 0.697(12) 1 calc R . P B 2
C45B C 0.2768(4) 0.4967(14) 0.3396(5) 0.049(2) Uani 0.697(12) 1 d . . P B 2
H45C H 0.296411 0.491991 0.321551 0.059 Uiso 0.697(12) 1 calc R . P B 2
H45D H 0.287365 0.445994 0.355498 0.059 Uiso 0.697(12) 1 calc R . P B 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
Ag4 Ag1 Ag2 90.713(16) . . ?
N1 Ag1 Ag2 44.96(9) . . ?
N1 Ag1 Ag4 128.53(9) . . ?
N13 Ag1 Ag2 128.15(8) . . ?
N13 Ag1 Ag4 44.03(8) . . ?
N13 Ag1 N1 172.37(12) . . ?
Ag3 Ag2 Ag1 89.709(16) . . ?
N1 Ag2 Ag1 45.07(8) . . ?
N1 Ag2 Ag3 127.72(8) . . ?
N5 Ag2 Ag1 127.89(9) . . ?
N5 Ag2 Ag3 45.25(10) . . ?
N5 Ag2 N1 172.54(12) . . ?
Ag2 Ag3 Ag4 91.084(16) . . ?
N5 Ag3 Ag2 45.58(9) . . ?
N5 Ag3 Ag4 129.38(9) . . ?
N5 Ag3 N9 172.10(14) . . ?
N9 Ag3 Ag2 126.72(11) . . ?
N9 Ag3 Ag4 43.60(10) . . ?
Ag1 Ag4 Ag3 88.494(16) . . ?
N9 Ag4 Ag1 124.74(12) . . ?
N9 Ag4 Ag3 44.04(10) . . ?
N13 Ag4 Ag1 44.45(8) . . ?
N13 Ag4 Ag3 126.47(8) . . ?
N13 Ag4 N9 169.07(14) . . ?
N1 P1 N2 123.48(17) . . ?
N1 P1 N3 110.26(17) . . ?
N1 P1 N4 109.88(17) . . ?
N3 P1 N2 99.57(17) . . ?
N4 P1 N2 101.63(17) . . ?
N4 P1 N3 111.33(18) . . ?
N5 P2 N6 117.35(19) . . ?
N5 P2 N8 111.70(19) . . ?
N5 P2 N7A 116.3(5) . . ?
N5 P2 N7B 114.3(2) . . ?
N8 P2 N6 100.92(18) . . ?
N8 P2 N7A 99.2(7) . . ?
N8 P2 N7B 111.0(2) . . ?
N7A P2 N6 108.8(6) . . ?
N7B P2 N6 100.4(2) . . ?
N9 P3 N10A 112.5(6) . . ?
N9 P3 N11B 107.6(5) . . ?
N9 P3 N12A 108.3(14) . . ?
N9 P3 N10B 118.0(4) . . ?
N9 P3 N11A 120.2(3) . . ?
N9 P3 N12B 111.7(6) . . ?
N10A P3 N12A 102.1(14) . . ?
N11B P3 N10A 103.8(10) . . ?
N11B P3 N12A 122.4(12) . . ?
N10B P3 N11A 97.9(6) . . ?
N12B P3 N10B 106.0(6) . . ?
N12B P3 N11A 100.7(5) . . ?
N13 P4 N14 115.55(16) . . ?
N13 P4 N15 116.36(17) . . ?
N13 P4 N16 110.43(15) . . ?
N15 P4 N14 99.38(15) . . ?
N16 P4 N14 107.14(15) . . ?
N16 P4 N15 107.02(16) . . ?
Ag2 N1 Ag1 89.97(12) . . ?
P1 N1 Ag1 112.82(16) . . ?
P1 N1 Ag2 117.18(18) . . ?
C1 N2 P1 117.6(3) . . ?
C5 N2 P1 117.5(3) . . ?
C5 N2 C1 110.0(3) . . ?
C6 N3 P1 118.1(3) . . ?
C6 N3 C10 111.9(3) . . ?
C10 N3 P1 124.0(3) . . ?
C11 N4 P1 123.9(3) . . ?
C11 N4 C15 112.8(3) . . ?
C15 N4 P1 123.3(3) . . ?
Ag3 N5 Ag2 89.17(13) . . ?
P2 N5 Ag2 122.8(2) . . ?
P2 N5 Ag3 137.3(2) . . ?
C16 N6 P2 116.5(3) . . ?
C20 N6 P2 116.6(3) . . ?
C20 N6 C16 109.3(3) . . ?
C26 N8 P2 124.5(3) . . ?
C30 N8 P2 118.8(3) . . ?
C30 N8 C26 112.0(4) . . ?
Ag4 N9 Ag3 92.36(14) . . ?
P3 N9 Ag3 123.2(2) . . ?
P3 N9 Ag4 136.7(3) . . ?
Ag4 N13 Ag1 91.51(12) . . ?
P4 N13 Ag1 130.92(17) . . ?
P4 N13 Ag4 128.98(17) . . ?
C46 N14 P4 115.6(2) . . ?
C46 N14 C50 110.5(3) . . ?
C50 N14 P4 116.0(2) . . ?
C51 N15 P4 127.8(3) . . ?
C55 N15 P4 118.8(2) . . ?
C55 N15 C51 112.1(3) . . ?
C56 N16 P4 122.9(2) . . ?
C56 N16 C60 112.5(3) . . ?
C60 N16 P4 122.8(2) . . ?
N2 C1 C2 110.2(4) . . ?
C3 C2 C1 111.0(4) . . ?
C2 C3 C4 110.2(4) . . ?
C5 C4 C3 110.5(4) . . ?
N2 C5 C4 110.3(4) . . ?
N3 C6 C7 110.3(3) . . ?
C6 C7 C8 111.7(4) . . ?
C9 C8 C7 109.9(4) . . ?
C8 C9 C10 111.8(4) . . ?
N3 C10 C9 109.4(4) . . ?
N4 C11 C12 111.0(4) . . ?
C11 C12 C13 111.0(4) . . ?
C14 C13 C12 109.8(4) . . ?
C15 C14 C13 110.9(4) . . ?
N4 C15 C14 111.4(4) . . ?
N6 C16 C17 109.6(4) . . ?
C16 C17 C18 110.7(4) . . ?
C19 C18 C17 110.1(4) . . ?
C20 C19 C18 110.1(4) . . ?
N6 C20 C19 111.0(4) . . ?
N8 C26 C27 110.1(4) . . ?
C28 C27 C26 111.7(5) . . ?
C27 C28 C29 110.0(5) . . ?
C30 C29 C28 111.2(4) . . ?
N8 C30 C29 111.8(4) . . ?
N14 C46 C47 110.6(3) . . ?
C48 C47 C46 109.8(4) . . ?
C47 C48 C49 109.8(4) . . ?
C50 C49 C48 111.9(3) . . ?
N14 C50 C49 110.3(3) . . ?
N15 C51 C52 110.8(3) . . ?
C53 C52 C51 111.0(3) . . ?
C52 C53 C54 111.0(3) . . ?
C55 C54 C53 110.5(4) . . ?
N15 C55 C54 110.6(3) . . ?
N16 C56 C57 109.7(3) . . ?
C56 C57 C58 110.0(3) . . ?
C59 C58 C57 110.9(3) . . ?
C60 C59 C58 110.5(3) . . ?
N16 C60 C59 110.6(3) . . ?
C21A N7A P2 126.8(9) . . ?
C25A N7A P2 120.5(9) . . ?
C25A N7A C21A 111.5(5) . . ?
N7A C21A C22A 109.3(5) . . ?
C23A C22A C21A 112.0(6) . . ?
C22A C23A C24A 112.8(5) . . ?
C25A C24A C23A 115.1(7) . . ?
C24A C25A N7A 119.1(7) . . ?
C31A N10A P3 126.3(13) . . ?
C35A N10A P3 121.9(11) . . ?
C35A N10A C31A 111.6(6) . . ?
N10A C31A C32A 109.0(6) . . ?
C33A C32A C31A 111.9(7) . . ?
C32A C33A C34A 111.1(6) . . ?
C35A C34A C33A 110.2(6) . . ?
N10A C35A C34A 110.4(7) . . ?
C36B N11B P3 123.5(8) . . ?
C36B N11B C40B 112.2(7) . . ?
C40B N11B P3 116.4(8) . . ?
N11B C36B C37B 111.7(7) . . ?
C36B C37B C38B 110.6(9) . . ?
C37B C38B C39B 106.3(9) . . ?
C40B C39B C38B 110.1(10) . . ?
C39B C40B N11B 113.7(8) . . ?
C45A N12A P3 129(3) . . ?
C41A N12A P3 104.4(19) . . ?
C41A N12A C45A 120(3) . . ?
C44A C45A N12A 121(4) . . ?
C45A C44A C43A 119(3) . . ?
C42A C43A C44A 105(3) . . ?
C43A C42A C41A 113(3) . . ?
N12A C41A C42A 108(2) . . ?
C21B N7B P2 121.9(4) . . ?
C25B N7B P2 124.8(4) . . ?
C25B N7B C21B 111.5(4) . . ?
N7B C21B C22B 109.5(5) . . ?
C23B C22B C21B 111.8(5) . . ?
C22B C23B C24B 112.3(5) . . ?
C25B C24B C23B 114.4(6) . . ?
C24B C25B N7B 118.6(6) . . ?
C31B N10B P3 116.4(5) . . ?
C35B N10B P3 116.6(9) . . ?
C35B N10B C31B 111.7(5) . . ?
N10B C31B C32B 109.0(5) . . ?
C33B C32B C31B 111.8(6) . . ?
C32B C33B C34B 111.1(5) . . ?
C35B C34B C33B 110.2(6) . . ?
N10B C35B C34B 110.5(7) . . ?
C36A N11A P3 127.9(5) . . ?
C36A N11A C40A 112.4(7) . . ?
C40A N11A P3 114.1(5) . . ?
N11A C36A C37A 111.8(7) . . ?
C36A C37A C38A 110.5(9) . . ?
C37A C38A C39A 105.8(9) . . ?
C40A C39A C38A 110.0(10) . . ?
C39A C40A N11A 113.8(8) . . ?
C41B N12B P3 126.0(10) . . ?
C45B N12B P3 122.4(14) . . ?
C45B N12B C41B 104.6(12) . . ?
C42B C41B N12B 107.2(8) . . ?
C41B C42B C43B 109.8(9) . . ?
C44B C43B C42B 111.2(12) . . ?
C43B C44B C45B 108.1(9) . . ?
N12B C45B C44B 106.3(13) . . ?
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 Ag2 2.9588(5) . ?
Ag1 Ag4 2.9582(5) . ?
Ag1 N1 2.095(3) . ?
Ag1 N13 2.072(3) . ?
Ag2 Ag3 2.9168(5) . ?
Ag2 N1 2.091(3) . ?
Ag2 N5 2.084(3) . ?
Ag3 Ag4 2.9811(5) . ?
Ag3 N5 2.071(3) . ?
Ag3 N9 2.074(4) . ?
Ag4 N9 2.058(4) . ?
Ag4 N13 2.057(3) . ?
P1 N1 1.557(3) . ?
P1 N2 1.687(3) . ?
P1 N3 1.677(4) . ?
P1 N4 1.672(3) . ?
P2 N5 1.542(3) . ?
P2 N6 1.687(4) . ?
P2 N8 1.675(4) . ?
P2 N7A 1.683(10) . ?
P2 N7B 1.686(5) . ?
P3 N9 1.534(4) . ?
P3 N10A 1.686(8) . ?
P3 N11B 1.678(8) . ?
P3 N12A 1.77(3) . ?
P3 N10B 1.668(5) . ?
P3 N11A 1.694(5) . ?
P3 N12B 1.621(14) . ?
P4 N13 1.541(3) . ?
P4 N14 1.692(3) . ?
P4 N15 1.674(3) . ?
P4 N16 1.659(3) . ?
N2 C1 1.488(5) . ?
N2 C5 1.470(6) . ?
N3 C6 1.461(5) . ?
N3 C10 1.467(5) . ?
N4 C11 1.451(5) . ?
N4 C15 1.468(5) . ?
N6 C16 1.483(5) . ?
N6 C20 1.461(5) . ?
N8 C26 1.464(5) . ?
N8 C30 1.452(6) . ?
N14 C46 1.472(5) . ?
N14 C50 1.479(5) . ?
N15 C51 1.470(5) . ?
N15 C55 1.458(5) . ?
N16 C56 1.460(4) . ?
N16 C60 1.464(4) . ?
C1 C2 1.515(6) . ?
C2 C3 1.514(8) . ?
C3 C4 1.537(8) . ?
C4 C5 1.519(6) . ?
C6 C7 1.509(6) . ?
C7 C8 1.531(7) . ?
C8 C9 1.515(7) . ?
C9 C10 1.529(6) . ?
C11 C12 1.512(6) . ?
C12 C13 1.538(7) . ?
C13 C14 1.517(6) . ?
C14 C15 1.503(6) . ?
C16 C17 1.526(6) . ?
C17 C18 1.530(7) . ?
C18 C19 1.525(7) . ?
C19 C20 1.515(6) . ?
C26 C27 1.512(7) . ?
C27 C28 1.505(8) . ?
C28 C29 1.526(8) . ?
C29 C30 1.488(8) . ?
C46 C47 1.526(5) . ?
C47 C48 1.524(6) . ?
C48 C49 1.529(6) . ?
C49 C50 1.526(5) . ?
C51 C52 1.530(6) . ?
C52 C53 1.529(6) . ?
C53 C54 1.537(6) . ?
C54 C55 1.528(6) . ?
C56 C57 1.522(6) . ?
C57 C58 1.535(6) . ?
C58 C59 1.527(6) . ?
C59 C60 1.526(5) . ?
N7A C21A 1.473(6) . ?
N7A C25A 1.444(7) . ?
C21A C22A 1.534(8) . ?
C22A C23A 1.474(9) . ?
C23A C24A 1.598(9) . ?
C24A C25A 1.365(9) . ?
N10A C31A 1.478(12) . ?
N10A C35A 1.465(15) . ?
C31A C32A 1.523(9) . ?
C32A C33A 1.514(11) . ?
C33A C34A 1.524(9) . ?
C34A C35A 1.518(8) . ?
N11B C36B 1.430(10) . ?
N11B C40B 1.472(9) . ?
C36B C37B 1.522(12) . ?
C37B C38B 1.540(13) . ?
C38B C39B 1.610(13) . ?
C39B C40B 1.449(12) . ?
N12A C45A 1.55(2) . ?
N12A C41A 1.50(5) . ?
C45A C44A 1.06(5) . ?
C44A C43A 1.58(5) . ?
C43A C42A 1.45(6) . ?
C42A C41A 1.55(4) . ?
N7B C21B 1.472(6) . ?
N7B C25B 1.445(7) . ?
C21B C22B 1.534(8) . ?
C22B C23B 1.475(9) . ?
C23B C24B 1.600(9) . ?
C24B C25B 1.367(9) . ?
N10B C31B 1.478(12) . ?
N10B C35B 1.465(15) . ?
C31B C32B 1.523(9) . ?
C32B C33B 1.514(11) . ?
C33B C34B 1.524(9) . ?
C34B C35B 1.518(8) . ?
N11A C36A 1.430(9) . ?
N11A C40A 1.472(9) . ?
C36A C37A 1.521(12) . ?
C37A C38A 1.542(13) . ?
C38A C39A 1.611(13) . ?
C39A C40A 1.449(12) . ?
N12B C41B 1.55(2) . ?
N12B C45B 1.419(11) . ?
C41B C42B 1.508(15) . ?
C42B C43B 1.55(2) . ?
C43B C44B 1.52(2) . ?
C44B C45B 1.65(2) . ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.280 0.750 145.7 1.7 ?
2 0.000 0.720 0.250 145.7 1.7 ?
3 0.095 0.494 0.461 16.6 1.7 ?
4 0.095 0.506 0.961 16.6 1.7 ?
5 0.128 0.224 0.998 14.2 0.0 ?
6 0.128 0.776 0.498 14.2 0.0 ?
7 0.372 0.276 0.002 14.2 0.0 ?
8 0.372 0.724 0.502 14.2 0.0 ?
9 0.500 0.220 0.250 145.7 1.7 ?
10 0.500 0.780 0.750 145.7 1.7 ?
11 0.405 0.006 0.539 16.6 1.6 ?
12 0.405 0.994 0.039 16.6 1.6 ?
13 0.595 0.006 0.961 16.6 1.7 ?
14 0.595 0.994 0.461 16.6 1.7 ?
15 0.628 0.276 0.498 14.2 0.0 ?
16 0.628 0.724 0.998 14.2 0.0 ?
17 0.872 0.224 0.502 14.2 0.0 ?
18 0.872 0.776 0.002 14.2 0.0 ?
19 0.905 0.494 0.039 16.6 1.6 ?
20 0.905 0.506 0.539 16.6 1.6 ?
