#------------------------------------------------------------------------------
#$Date: 2019-11-23 06:28:56 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232329 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/74/4347460.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_4347460
loop_
_publ_author_name
'Jaros, Sabina W.'
'Guedes da Silva, M Fátima C'
'Florek, Magdalena'
'Smoleński, Piotr'
'Pombeiro, Armando J. L.'
'Kirillov, Alexander M.'
_publ_section_title
;
 Silver(I) 1,3,5-Triaza-7-phosphaadamantane Coordination Polymers Driven
 by Substituted Glutarate and Malonate Building Blocks: Self-Assembly
 Synthesis, Structural Features, and Antimicrobial Properties.
;
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5886
_journal_page_last               5894
_journal_paper_doi               10.1021/acs.inorgchem.6b00186
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         'C23 H36 Ag2 N6 O5 P2, 6(H2 O)'
_chemical_formula_sum            'C23 H48 Ag2 N6 O11 P2'
_chemical_formula_weight         862.35
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.6310(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.8485(2)
_cell_length_b                   27.3531(7)
_cell_length_c                   17.0824(5)
_cell_measurement_reflns_used    9247
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.36
_cell_measurement_theta_min      2.39
_cell_volume                     3198.71(16)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0289
_diffrn_reflns_av_sigmaI/netI    0.0231
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            28223
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.81
_exptl_absorpt_coefficient_mu    1.389
_exptl_absorpt_correction_T_max  0.8
_exptl_absorpt_correction_T_min  0.6
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.791
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1760
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.22
_refine_diff_density_max         3.886
_refine_diff_density_min         -1.320
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.330
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     409
_refine_ls_number_reflns         5857
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.330
_refine_ls_R_factor_all          0.0517
_refine_ls_R_factor_gt           0.0512
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+27.8073P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1074
_refine_ls_wR_factor_ref         0.1076
_reflns_number_gt                5795
_reflns_number_total             5857
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic6b00186_si_003.cif
_cod_data_source_block           jar365
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4347460
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.5688(8) 0.40399(19) 0.7321(3) 0.0106(11) Uani 1 1 d .
C2 C 0.4840(8) 0.4209(2) 0.7993(3) 0.0146(11) Uani 1 1 d .
H2 H 0.3509 0.4136 0.8082 0.017 Uiso 1 1 calc R
C3 C 0.5893(9) 0.4485(2) 0.8542(3) 0.0183(12) Uani 1 1 d .
H3 H 0.5275 0.4605 0.8994 0.022 Uiso 1 1 calc R
C4 C 0.7849(9) 0.4583(2) 0.8428(3) 0.0210(13) Uani 1 1 d .
H4 H 0.8582 0.4766 0.8806 0.025 Uiso 1 1 calc R
C5 C 0.8724(9) 0.4416(2) 0.7767(4) 0.0195(13) Uani 1 1 d .
H5 H 1.0065 0.4484 0.7691 0.023 Uiso 1 1 calc R
C6 C 0.7673(8) 0.4148(2) 0.7209(3) 0.0161(12) Uani 1 1 d .
H6 H 0.8291 0.4038 0.6751 0.019 Uiso 1 1 calc R
C7 C 0.5478(8) 0.29090(19) 0.7307(3) 0.0118(11) Uani 1 1 d .
C8 C 0.5374(8) 0.3234(2) 0.6585(3) 0.0127(11) Uani 1 1 d .
H8A H 0.4577 0.3066 0.6174 0.015 Uiso 1 1 calc R
H8B H 0.6710 0.3271 0.6386 0.015 Uiso 1 1 calc R
C9 C 0.3036(8) 0.4444(2) 0.5868(3) 0.0132(11) Uani 1 1 d .
C10 C 0.4347(8) 0.3999(2) 0.5912(3) 0.0150(11) Uani 1 1 d .
H10A H 0.5673 0.4098 0.5759 0.018 Uiso 1 1 calc R
H10B H 0.3858 0.3758 0.5522 0.018 Uiso 1 1 calc R
C11 C 0.0058(8) 0.2451(2) 0.9078(3) 0.0132(11) Uani 1 1 d .
H11A H 0.0095 0.2103 0.9235 0.016 Uiso 1 1 calc R
H11B H 0.0096 0.2464 0.8500 0.016 Uiso 1 1 calc R
C12 C 0.8308(8) 0.2725(2) 1.0449(3) 0.0137(11) Uani 1 1 d .
H12A H 0.7280 0.2911 1.0717 0.016 Uiso 1 1 calc R
H12B H 0.8290 0.2386 1.0648 0.016 Uiso 1 1 calc R
C13 C 0.8285(8) 0.3365(2) 0.9181(3) 0.0148(11) Uani 1 1 d .
H13A H 0.8266 0.3416 0.8607 0.018 Uiso 1 1 calc R
H13B H 0.7257 0.3575 0.9402 0.018 Uiso 1 1 calc R
C14 C 0.1834(8) 0.2677(2) 1.0286(3) 0.0148(11) Uani 1 1 d .
H14A H 0.1764 0.2331 1.0449 0.018 Uiso 1 1 calc R
H14B H 0.3090 0.2811 1.0492 0.018 Uiso 1 1 calc R
C15 C 1.0296(9) 0.3457(2) 1.0370(3) 0.0166(12) Uani 1 1 d .
H15A H 0.9188 0.3637 1.0592 0.020 Uiso 1 1 calc R
H15B H 1.1517 0.3609 1.0576 0.020 Uiso 1 1 calc R
C16 C 0.1796(8) 0.3230(2) 0.9186(3) 0.0146(11) Uani 1 1 d .
H16A H 0.3055 0.3379 0.9357 0.017 Uiso 1 1 calc R
H16B H 0.1697 0.3254 0.8608 0.017 Uiso 1 1 calc R
C17 C 0.4514(8) 0.37458(19) 0.6711(3) 0.0107(11) Uani 1 1 d .
H17 H 0.3163 0.3704 0.6908 0.013 Uiso 1 1 calc R
C21 C 0.2473(8) 0.1327(2) 0.8601(3) 0.0171(12) Uani 1 1 d .
H21A H 0.1358 0.1539 0.8441 0.021 Uiso 1 1 calc R
H21B H 0.2480 0.1301 0.9179 0.021 Uiso 1 1 calc R
C22 C 0.4414(8) 0.04504(19) 0.8435(3) 0.0136(11) Uani 1 1 d .
H22A H 0.4511 0.0394 0.9007 0.016 Uiso 1 1 calc R
H22B H 0.4505 0.0129 0.8172 0.016 Uiso 1 1 calc R
C23 C 0.2460(8) 0.0870(2) 0.7172(3) 0.0160(12) Uani 1 1 d .
H23A H 0.2469 0.0564 0.6862 0.019 Uiso 1 1 calc R
H23B H 0.1364 0.1074 0.6970 0.019 Uiso 1 1 calc R
C24 C 0.6059(8) 0.1238(2) 0.8598(3) 0.0153(12) Uani 1 1 d .
H24A H 0.7283 0.1413 0.8479 0.018 Uiso 1 1 calc R
H24B H 0.6058 0.1182 0.9170 0.018 Uiso 1 1 calc R
C25 C 0.4333(8) 0.1605(2) 0.7473(3) 0.0151(12) Uani 1 1 d .
H25A H 0.3182 0.1796 0.7290 0.018 Uiso 1 1 calc R
H25B H 0.5515 0.1787 0.7323 0.018 Uiso 1 1 calc R
C26 C 0.6007(8) 0.0840(2) 0.7344(3) 0.0144(11) Uani 1 1 d .
H26A H 0.5971 0.0519 0.7078 0.017 Uiso 1 1 calc R
H26B H 0.7222 0.1008 0.7195 0.017 Uiso 1 1 calc R
N11 N 0.1819(6) 0.26993(15) 0.9412(2) 0.0068(8) Uani 1 1 d .
N12 N 1.0230(7) 0.29465(17) 1.0644(3) 0.0136(10) Uani 1 1 d .
N13 N 1.0210(7) 0.35140(17) 0.9515(3) 0.0143(10) Uani 1 1 d .
N21 N 0.4315(7) 0.15708(19) 0.8370(3) 0.020 Uiso 1 1 d .
N22 N 0.6068(7) 0.07607(17) 0.8200(3) 0.0128(9) Uani 1 1 d .
N23 N 0.4311(7) 0.11334(17) 0.7064(3) 0.0154(10) Uani 1 1 d .
O1 O 0.3923(6) 0.28170(15) 0.7646(2) 0.0179(9) Uani 1 1 d .
O2 O 0.7134(6) 0.27414(15) 0.7527(2) 0.0173(9) Uani 1 1 d .
O3 O 0.2351(6) 0.46111(15) 0.6481(2) 0.0179(9) Uani 1 1 d .
O4 O 0.2713(6) 0.46185(15) 0.5188(2) 0.0215(9) Uani 1 1 d .
O10 O 0.9284(6) 0.18826(15) 0.7254(2) 0.0198(9) Uani 1 1 d .
O20 O 0.0466(6) 0.30779(16) 0.6822(3) 0.0227(9) Uani 1 1 d D
O30 O 0.9764(7) 0.15315(16) 1.0323(3) 0.0289(11) Uani 1 1 d .
O50 O 0.1603(7) 0.53948(16) 0.9276(3) 0.0278(10) Uani 1 1 d .
O60 O 0.1821(6) 0.44501(16) 0.9800(3) 0.0244(10) Uani 1 1 d D
O70 O 0.5158(7) 0.40164(17) 0.0458(2) 0.0245(10) Uani 1 1 d D
P1 P 0.7743(2) 0.27206(5) 0.93912(8) 0.0120(3) Uani 1 1 d .
P2 P 1.2066(2) 0.07223(5) 0.81902(9) 0.0155(3) Uani 1 1 d .
Ag1 Ag 0.47801(6) 0.237940(15) 0.88529(2) 0.01236(11) Uani 1 1 d .
Ag2 Ag 0.91786(6) 0.032637(16) 0.84894(3) 0.01835(12) Uani 1 1 d .
O40 O 0.8675(6) 0.05483(15) 0.9971(3) 0.0227(9) Uani 1 1 d .
H10C H 0.8560 0.2146 0.7380 0.034 Uiso 1 1 d .
H10D H 0.9684 0.1975 0.6745 0.034 Uiso 1 1 d .
H20A H -0.070(7) 0.294(3) 0.706(4) 0.034 Uiso 1 1 d D
H20B H 0.150(8) 0.299(3) 0.721(3) 0.034 Uiso 1 1 d D
H30A H 0.9370 0.1231 1.0232 0.034 Uiso 1 1 d .
H30B H 1.0297 0.1590 1.0805 0.034 Uiso 1 1 d .
H50A H 0.1502 0.5065 0.9379 0.034 Uiso 1 1 d .
H50B H 0.0375 0.5468 0.9528 0.034 Uiso 1 1 d .
H60A H 0.313(5) 0.435(3) 1.000(4) 0.034 Uiso 1 1 d D
H60B H 0.115(10) 0.4157(17) 0.959(4) 0.034 Uiso 1 1 d D
H70A H 0.633(7) 0.423(2) 0.052(4) 0.034 Uiso 1 1 d D
H70B H 0.476(10) 0.394(3) 0.0995(19) 0.034 Uiso 1 1 d D
H40B H 0.9966 0.0467 1.0023 0.034 Uiso 1 1 d .
H40A H 0.7997 0.0268 0.9966 0.034 Uiso 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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C2 C1 C6 118.2(5) . .
C2 C1 C17 121.2(5) . .
C6 C1 C17 120.6(5) . .
C1 C2 C3 121.4(5) . .
C1 C2 H2 119.3 . .
C3 C2 H2 119.3 . .
C4 C3 C2 119.7(5) . .
C4 C3 H3 120.1 . .
C2 C3 H3 120.1 . .
C5 C4 C3 119.8(5) . .
C5 C4 H4 120.1 . .
C3 C4 H4 120.1 . .
C4 C5 C6 120.8(6) . .
C4 C5 H5 119.6 . .
C6 C5 H5 119.6 . .
C5 C6 C1 120.1(5) . .
C5 C6 H6 120.0 . .
C1 C6 H6 119.9 . .
O1 C7 O2 123.7(5) . .
O1 C7 C8 118.2(5) . .
O2 C7 C8 118.1(5) . .
C7 C8 C17 115.3(4) . .
C7 C8 H8A 108.4 . .
C17 C8 H8A 108.4 . .
C7 C8 H8B 108.4 . .
C17 C8 H8B 108.4 . .
H8A C8 H8B 107.5 . .
O3 C9 O4 124.8(5) . .
O3 C9 C10 119.3(5) . .
O4 C9 C10 115.8(5) . .
C9 C10 C17 115.9(5) . .
C9 C10 H10A 108.3 . .
C17 C10 H10A 108.3 . .
C9 C10 H10B 108.3 . .
C17 C10 H10B 108.3 . .
H10A C10 H10B 107.4 . .
N11 C11 P1 113.8(4) . 1_455
N11 C11 H11A 108.8 . .
P1 C11 H11A 108.8 1_455 .
N11 C11 H11B 108.8 . .
P1 C11 H11B 108.8 1_455 .
H11A C11 H11B 107.7 . .
N12 C12 P1 112.7(4) . .
N12 C12 H12A 109.1 . .
P1 C12 H12A 109.1 . .
N12 C12 H12B 109.1 . .
P1 C12 H12B 109.1 . .
H12A C12 H12B 107.8 . .
N13 C13 P1 111.8(4) . .
N13 C13 H13A 109.3 . .
P1 C13 H13A 109.3 . .
N13 C13 H13B 109.3 . .
P1 C13 H13B 109.3 . .
H13A C13 H13B 107.9 . .
N12 C14 N11 114.3(4) 1_455 .
N12 C14 H14A 108.7 1_455 .
N11 C14 H14A 108.7 . .
N12 C14 H14B 108.7 1_455 .
N11 C14 H14B 108.7 . .
H14A C14 H14B 107.6 . .
N13 C15 N12 114.6(4) . .
N13 C15 H15A 108.6 . .
N12 C15 H15A 108.6 . .
N13 C15 H15B 108.6 . .
N12 C15 H15B 108.6 . .
H15A C15 H15B 107.6 . .
N13 C16 N11 114.7(4) 1_455 .
N13 C16 H16A 108.6 1_455 .
N11 C16 H16A 108.6 . .
N13 C16 H16B 108.6 1_455 .
N11 C16 H16B 108.6 . .
H16A C16 H16B 107.6 . .
C1 C17 C10 113.2(4) . .
C1 C17 C8 112.3(4) . .
C10 C17 C8 107.8(4) . .
C1 C17 H17 107.8 . .
C10 C17 H17 107.8 . .
C8 C17 H17 107.8 . .
N21 C21 P2 115.2(4) . 1_455
N21 C21 H21A 108.5 . .
P2 C21 H21A 108.5 1_455 .
N21 C21 H21B 108.5 . .
P2 C21 H21B 108.5 1_455 .
H21A C21 H21B 107.5 . .
N22 C22 P2 112.5(4) . 1_455
N22 C22 H22A 109.1 . .
P2 C22 H22A 109.1 1_455 .
N22 C22 H22B 109.1 . .
P2 C22 H22B 109.1 1_455 .
H22A C22 H22B 107.8 . .
N23 C23 P2 112.4(4) . 1_455
N23 C23 H23A 109.1 . .
P2 C23 H23A 109.1 1_455 .
N23 C23 H23B 109.1 . .
P2 C23 H23B 109.1 1_455 .
H23A C23 H23B 107.8 . .
N22 C24 N21 114.8(4) . .
N22 C24 H24A 108.6 . .
N21 C24 H24A 108.6 . .
N22 C24 H24B 108.6 . .
N21 C24 H24B 108.6 . .
H24A C24 H24B 107.5 . .
N23 C25 N21 115.0(4) . .
N23 C25 H25A 108.5 . .
N21 C25 H25A 108.5 . .
N23 C25 H25B 108.5 . .
N21 C25 H25B 108.5 . .
H25A C25 H25B 107.5 . .
N22 C26 N23 113.6(4) . .
N22 C26 H26A 108.9 . .
N23 C26 H26A 108.9 . .
N22 C26 H26B 108.9 . .
N23 C26 H26B 108.9 . .
H26A C26 H26B 107.7 . .
C11 N11 C14 110.3(4) . .
C11 N11 C16 110.0(4) . .
C14 N11 C16 107.1(4) . .
C11 N11 Ag1 111.3(3) . .
C14 N11 Ag1 113.4(3) . .
C16 N11 Ag1 104.5(3) . .
C14 N12 C15 108.2(4) 1_655 .
C14 N12 C12 111.9(4) 1_655 .
C15 N12 C12 110.6(4) . .
C16 N13 C15 108.4(4) 1_655 .
C16 N13 C13 111.7(4) 1_655 .
C15 N13 C13 111.4(4) . .
C21 N21 C25 108.9(4) . .
C21 N21 C24 109.0(4) . .
C25 N21 C24 105.0(4) . .
C21 N21 Ag1 115.4(4) . .
C25 N21 Ag1 106.6(3) . .
C24 N21 Ag1 111.4(3) . .
C24 N22 C26 109.0(4) . .
C24 N22 C22 111.7(4) . .
C26 N22 C22 110.7(4) . .
C24 N22 Ag2 110.4(3) . .
C26 N22 Ag2 105.5(3) . .
C22 N22 Ag2 109.3(3) . .
C25 N23 C23 111.5(4) . .
C25 N23 C26 108.9(4) . .
C23 N23 C26 111.4(4) . .
C7 O1 Ag1 107.6(3) . .
C9 O3 Ag2 122.1(4) . 2_656
H10C O10 H10D 100.4 . .
H20A O20 H20B 102(6) . .
H30A O30 H30B 116.1 . .
H50A O50 H50B 92.7 . .
H60A O60 H60B 107(6) . .
H70A O70 H70B 106(6) . .
C12 P1 C13 98.5(3) . .
C12 P1 C11 97.4(3) . 1_655
C13 P1 C11 98.5(3) . 1_655
C12 P1 Ag1 122.22(18) . .
C13 P1 Ag1 118.19(18) . .
C11 P1 Ag1 117.39(18) 1_655 .
C22 P2 C23 99.1(3) 1_655 1_655
C22 P2 C21 99.2(3) 1_655 1_655
C23 P2 C21 98.2(3) 1_655 1_655
C22 P2 Ag2 120.89(18) 1_655 .
C23 P2 Ag2 117.77(19) 1_655 .
C21 P2 Ag2 117.50(19) 1_655 .
N21 Ag1 P1 126.85(13) . .
N21 Ag1 N11 111.48(16) . .
P1 Ag1 N11 114.63(10) . .
N21 Ag1 O1 97.82(16) . .
P1 Ag1 O1 108.31(10) . .
N11 Ag1 O1 88.40(14) . .
O3 Ag2 P2 145.13(11) 2_646 .
O3 Ag2 N22 91.35(15) 2_646 .
P2 Ag2 N22 117.70(11) . .
H40B O40 H40A 107.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.381(8) .
C1 C6 1.410(8) .
C1 C17 1.527(7) .
C2 C3 1.389(8) .
C2 H2 0.9500 .
C3 C4 1.385(9) .
C3 H3 0.9500 .
C4 C5 1.372(9) .
C4 H4 0.9500 .
C5 C6 1.386(8) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 O1 1.252(7) .
C7 O2 1.270(7) .
C7 C8 1.519(7) .
C8 C17 1.538(7) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 O3 1.247(7) .
C9 O4 1.269(7) .
C9 C10 1.513(8) .
C10 C17 1.532(7) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 N11 1.483(7) .
C11 P1 1.842(6) 1_455
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 N12 1.478(7) .
C12 P1 1.837(6) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 N13 1.479(7) .
C13 P1 1.840(6) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 N12 1.469(7) 1_455
C14 N11 1.495(7) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 N13 1.469(7) .
C15 N12 1.473(7) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 N13 1.460(7) 1_455
C16 N11 1.502(7) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 H17 1.0000 .
C21 N21 1.490(8) .
C21 P2 1.816(6) 1_455
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 N22 1.480(7) .
C22 P2 1.810(6) 1_455
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 N23 1.474(7) .
C23 P2 1.814(6) 1_455
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 N22 1.473(7) .
C24 N21 1.543(7) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 N23 1.466(7) .
C25 N21 1.535(7) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 N22 1.477(7) .
C26 N23 1.480(7) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
N11 Ag1 2.429(4) .
N12 C14 1.469(7) 1_655
N13 C16 1.460(7) 1_655
N21 Ag1 2.379(5) .
N22 Ag2 2.477(4) .
O1 Ag1 2.442(4) .
O3 Ag2 2.220(4) 2_656
O10 H10C 0.904 .
O10 H10D 0.953 .
O20 H20A 0.98(2) .
O20 H20B 0.98(2) .
O30 H30A 0.877 .
O30 H30B 0.906 .
O50 H50A 0.922 .
O50 H50B 0.976 .
O60 H60A 0.99(2) .
O60 H60B 0.98(2) .
O70 H70A 0.99(2) .
O70 H70B 0.99(2) .
P1 C11 1.842(6) 1_655
P1 Ag1 2.3932(14) .
P2 C22 1.810(6) 1_655
P2 C23 1.813(6) 1_655
P2 C21 1.816(6) 1_655
P2 Ag2 2.3240(15) .
Ag2 O3 2.221(4) 2_646
O40 H40B 0.914 .
O40 H40A 0.896 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O10 H10C O2 0.904 1.919 2.818(6) 173 .
O10 H10D N12 0.953 1.941 2.882(6) 169.1(3) 4_565
O20 H20A O2 0.98(2) 1.79(2) 2.768(6) 175(7) 1_455
O20 H20B O1 0.98(2) 1.86(3) 2.812(6) 162(6) .
O30 H30A O40 0.877 1.975 2.850(6) 175 .
O50 H50A O60 0.922 1.840 2.737(6) 164 .
O60 H60A O70 0.99(2) 1.82(3) 2.783(6) 164(7) 1_556
O70 H70A O50 0.99(2) 1.78(2) 2.769(6) 175(7) 3_666
O70 H70B N23 0.99(2) 1.87(2) 2.850(6) 171(7) 4_565
O40 H40B O4 0.914 1.909 2.817(6) 172.4(3) 4_666
O40 H40A O4 0.896 1.859 2.726(6) 162.3(3) 2_646
