#------------------------------------------------------------------------------
#$Date: 2016-01-09 12:15:27 +0200 (Sat, 09 Jan 2016) $
#$Revision: 173731 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/00/1520077.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_1520077
loop_
_publ_author_name
'Avdeeva, Varvara V.'
'Buzin, Mikhail I.'
'Malinina, Elena A.'
'Kuznetsov, Nikolay T.'
'Vologzhanina, Anna V.'
_publ_section_title
;
 Reversible single-crystal-to-single-crystal photoisomerization of a
 silver(i) macropolyhedral borane
;
_journal_issue                   46
_journal_name_full               CrystEngComm
_journal_page_first              8870
_journal_paper_doi               10.1039/C5CE00859J
_journal_volume                  17
_journal_year                    2015
_chemical_formula_moiety         '2(C54 H45 Ag P3), B20 H18'
_chemical_formula_sum            'C108 H108 Ag2 B20 P6'
_chemical_formula_weight         2023.70
_chemical_name_systematic
;
 ? 
;
_chemical_properties_physical    Heat-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'
_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_date             2015-01-27
_audit_creation_method
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_audit_update_record
;
2015-03-12 deposited with the CCDC.
2015-05-28 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 131.7390(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.9112(9)
_cell_length_b                   25.0981(18)
_cell_length_c                   21.0634(14)
_cell_measurement_reflns_used    9845
_cell_measurement_temperature    120
_cell_measurement_theta_max      36.04
_cell_measurement_theta_min      2.26
_cell_volume                     5093.1(6)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0392
_diffrn_reflns_av_unetI/netI     0.0385
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            91811
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         36.55
_diffrn_reflns_theta_min         1.78
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.527
_exptl_absorpt_correction_T_max  0.2220
_exptl_absorpt_correction_T_min  0.1467
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014) was used for absorption correction.
wR2(int) was 0.0819 before and 0.0529 after correction.
The Ratio of minimum to maximum transmission is 0.6608.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.320
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2080
_exptl_crystal_recrystallization_method
'solid state reaction under UV irradiation of the trans isomer'
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.29
_refine_diff_density_max         1.043
_refine_diff_density_min         -0.566
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     650
_refine_ls_number_reflns         23939
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0723
_refine_ls_R_factor_gt           0.0464
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0250P)²+7.2411P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0924
_refine_ls_wR_factor_ref         0.1062
_reflns_number_gt                18152
_reflns_number_total             23939
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce00859j2.cif
_cod_data_source_block           UV
_cod_depositor_comments
'Adding full bibliography for 1520076--1520078.cif.'
_cod_database_code               1520077
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All B(H,H) groups, All C(H) groups
2. Others
 Fixed Sof: H4A(0.6) H4B(0.4) B1A(0.6) H1A(0.6) B3A(0.6) H3A(0.6) B5A(0.6)
 H5A(0.6) B6A(0.6) H6A(0.6) B7A(0.6) H7A(0.6) B8A(0.6) H8A(0.6) B10A(0.6)
 H10A(0.6) B1B(0.4) H1B(0.4) B3B(0.4) H3B(0.4) B5B(0.4) H5B(0.4) B6B(0.4)
 H6B(0.4) B7B(0.4) H7B(0.4) B8B(0.4) H8B(0.4) B10B(0.4) H10B(0.4)
3.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21),
  C22(H22), C23(H23), C24(H24), C26(H26), C27(H27), C28(H28), C29(H29),
 C30(H30), C32(H32), C33(H33), C34(H34), C35(H35), C36(H36), C38(H38), C39(H39),
  C40(H40), C41(H41), C42(H42), C44(H44), C45(H45), C46(H46), C47(H47),
 C48(H48), C50(H50), C51(H51), C52(H52), C53(H53), C54(H54)
3.b Boron cage BH refined with riding coordinates:
 B4(H4A), B4(H4B), B1A(H1A), B3A(H3A), B5A(H5A), B6A(H6A), B7A(H7A), B8A(H8A),
 B10A(H10A), B1B(H1B), B3B(H3B), B5B(H5B), B6B(H6B), B7B(H7B), B8B(H8B),
 B10B(H10B)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 '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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
Ag1 Ag 0.478005(13) 0.378671(5) 0.237621(8) 0.02251(3) Uani 1 d . . .
P1 P 0.70467(4) 0.340525(18) 0.36666(3) 0.02152(8) Uani 1 d . . .
P2 P 0.26536(4) 0.321500(17) 0.15659(3) 0.01927(7) Uani 1 d . . .
P3 P 0.48680(5) 0.438099(18) 0.14545(3) 0.02232(8) Uani 1 d . . .
C1 C 0.69048(18) 0.30721(8) 0.43724(11) 0.0251(3) Uani 1 d . . .
C2 C 0.6317(3) 0.33590(9) 0.46343(15) 0.0389(5) Uani 1 d . . .
H2 H 0.6025 0.3716 0.4449 0.047 Uiso 1 calc . . R
C3 C 0.6157(3) 0.31264(11) 0.51620(17) 0.0459(6) Uani 1 d . . .
H3 H 0.5781 0.3328 0.5350 0.055 Uiso 1 calc . . R
C4 C 0.6543(2) 0.26030(10) 0.54136(14) 0.0377(5) Uani 1 d . . .
H4 H 0.6418 0.2442 0.5767 0.045 Uiso 1 calc . . R
C5 C 0.7114(2) 0.23109(8) 0.51522(12) 0.0316(4) Uani 1 d . . .
H5 H 0.7378 0.1951 0.5327 0.038 Uiso 1 calc . . R
C6 C 0.73022(19) 0.25440(8) 0.46340(11) 0.0267(3) Uani 1 d . . .
H6 H 0.7700 0.2344 0.4460 0.032 Uiso 1 calc . . R
C7 C 0.75331(17) 0.28784(7) 0.33135(10) 0.0222(3) Uani 1 d . . .
C8 C 0.6487(2) 0.25379(8) 0.26710(12) 0.0288(3) Uani 1 d . . .
H8 H 0.5567 0.2580 0.2450 0.035 Uiso 1 calc . . R
C9 C 0.6775(2) 0.21392(8) 0.23515(13) 0.0361(4) Uani 1 d . . .
H9 H 0.6058 0.1906 0.1923 0.043 Uiso 1 calc . . R
C10 C 0.8109(3) 0.20816(9) 0.26582(14) 0.0375(5) Uani 1 d . . .
H10 H 0.8306 0.1812 0.2435 0.045 Uiso 1 calc . . R
C11 C 0.9151(2) 0.24181(9) 0.32889(13) 0.0333(4) Uani 1 d . . .
H11 H 1.0064 0.2379 0.3498 0.040 Uiso 1 calc . . R
C12 C 0.88741(19) 0.28138(8) 0.36202(11) 0.0262(3) Uani 1 d . . .
H12 H 0.9600 0.3041 0.4057 0.031 Uiso 1 calc . . R
C13 C 0.86076(18) 0.38106(8) 0.43708(12) 0.0270(3) Uani 1 d . . .
C14 C 0.9426(2) 0.38265(10) 0.52463(14) 0.0402(5) Uani 1 d . . .
H14 H 0.9177 0.3624 0.5508 0.048 Uiso 1 calc . . R
C15 C 1.0619(3) 0.41425(12) 0.57408(17) 0.0524(7) Uani 1 d . . .
H15 H 1.1171 0.4159 0.6339 0.063 Uiso 1 calc . . R
C16 C 1.1005(2) 0.44292(10) 0.53741(18) 0.0498(7) Uani 1 d . . .
H16 H 1.1825 0.4639 0.5719 0.060 Uiso 1 calc . . R
C17 C 1.0210(2) 0.44138(9) 0.45090(18) 0.0451(6) Uani 1 d . . .
H17 H 1.0486 0.4610 0.4257 0.054 Uiso 1 calc . . R
C18 C 0.9005(2) 0.41121(8) 0.40033(15) 0.0351(4) Uani 1 d . . .
H18 H 0.8444 0.4110 0.3403 0.042 Uiso 1 calc . . R
C19 C 0.27204(17) 0.27163(7) 0.09633(11) 0.0213(3) Uani 1 d . . .
C20 C 0.3116(2) 0.28889(8) 0.05188(13) 0.0293(4) Uani 1 d . . .
H20 H 0.3302 0.3256 0.0523 0.035 Uiso 1 calc . . R
C21 C 0.3238(2) 0.25294(10) 0.00734(14) 0.0369(4) Uani 1 d . . .
H21 H 0.3504 0.2651 -0.0227 0.044 Uiso 1 calc . . R
C22 C 0.2974(2) 0.19942(9) 0.00636(14) 0.0372(4) Uani 1 d . . .
H22 H 0.3059 0.1748 -0.0242 0.045 Uiso 1 calc . . R
C23 C 0.2587(2) 0.18196(8) 0.04994(14) 0.0363(4) Uani 1 d . . .
H23 H 0.2408 0.1452 0.0494 0.044 Uiso 1 calc . . R
C24 C 0.2455(2) 0.21769(7) 0.09469(12) 0.0283(3) Uani 1 d . . .
H24 H 0.2183 0.2052 0.1243 0.034 Uiso 1 calc . . R
C25 C 0.22302(17) 0.28221(7) 0.20935(11) 0.0223(3) Uani 1 d . . .
C26 C 0.33055(19) 0.25804(8) 0.28633(12) 0.0278(3) Uani 1 d . . .
H26 H 0.4241 0.2646 0.3126 0.033 Uiso 1 calc . . R
C27 C 0.3010(2) 0.22423(9) 0.32490(13) 0.0334(4) Uani 1 d . . .
H27 H 0.3746 0.2069 0.3768 0.040 Uiso 1 calc . . R
C28 C 0.1652(2) 0.21572(9) 0.28802(15) 0.0368(5) Uani 1 d . . .
H28 H 0.1456 0.1931 0.3150 0.044 Uiso 1 calc . . R
C29 C 0.0583(2) 0.24009(11) 0.21207(16) 0.0427(6) Uani 1 d . . .
H29 H -0.0350 0.2343 0.1868 0.051 Uiso 1 calc . . R
C30 C 0.0865(2) 0.27312(9) 0.17236(14) 0.0359(5) Uani 1 d . . .
H30 H 0.0123 0.2896 0.1198 0.043 Uiso 1 calc . . R
C31 C 0.10789(16) 0.35902(7) 0.07755(10) 0.0204(3) Uani 1 d . . .
C32 C 0.00560(18) 0.34284(8) -0.00655(11) 0.0270(3) Uani 1 d . . .
H32 H 0.0151 0.3100 -0.0248 0.032 Uiso 1 calc . . R
C33 C -0.11051(19) 0.37459(9) -0.06395(12) 0.0308(4) Uani 1 d . . .
H33 H -0.1798 0.3635 -0.1215 0.037 Uiso 1 calc . . R
C34 C -0.1258(2) 0.42185(9) -0.03803(12) 0.0334(4) Uani 1 d . . .
H34 H -0.2050 0.4436 -0.0777 0.040 Uiso 1 calc . . R
C35 C -0.0255(2) 0.43779(10) 0.04600(14) 0.0392(5) Uani 1 d . . .
H35 H -0.0367 0.4702 0.0642 0.047 Uiso 1 calc . . R
C36 C 0.0912(2) 0.40664(8) 0.10349(12) 0.0310(4) Uani 1 d . . .
H36 H 0.1601 0.4179 0.1610 0.037 Uiso 1 calc . . R
C37 C 0.35105(18) 0.42908(7) 0.03077(11) 0.0234(3) Uani 1 d . . .
C38 C 0.21302(19) 0.43651(8) -0.00697(13) 0.0278(3) Uani 1 d . . .
H38 H 0.1925 0.4462 0.0272 0.033 Uiso 1 calc . . R
C39 C 0.1062(2) 0.42986(8) -0.09374(13) 0.0314(4) Uani 1 d . . .
H39 H 0.0128 0.4353 -0.1189 0.038 Uiso 1 calc . . R
C40 C 0.1352(2) 0.41536(8) -0.14400(13) 0.0334(4) Uani 1 d . . .
H40 H 0.0617 0.4106 -0.2035 0.040 Uiso 1 calc . . R
C41 C 0.2713(2) 0.40777(8) -0.10726(13) 0.0326(4) Uani 1 d . . .
H41 H 0.2911 0.3978 -0.1418 0.039 Uiso 1 calc . . R
C42 C 0.3793(2) 0.41461(7) -0.02039(12) 0.0273(3) Uani 1 d . . .
H42 H 0.4725 0.4095 0.0043 0.033 Uiso 1 calc . . R
C43 C 0.64606(19) 0.42372(7) 0.16706(12) 0.0265(3) Uani 1 d . . .
C44 C 0.6812(2) 0.37065(7) 0.16999(12) 0.0272(3) Uani 1 d . . .
H44 H 0.6204 0.3431 0.1585 0.033 Uiso 1 calc . . R
C45 C 0.8043(2) 0.35776(9) 0.18951(14) 0.0334(4) Uani 1 d . . .
H45 H 0.8266 0.3215 0.1905 0.040 Uiso 1 calc . . R
C46 C 0.8943(3) 0.39763(11) 0.2075(2) 0.0486(6) Uani 1 d . . .
H46 H 0.9787 0.3889 0.2210 0.058 Uiso 1 calc . . R
C47 C 0.8611(3) 0.45041(11) 0.2057(2) 0.0605(9) Uani 1 d . . .
H47 H 0.9234 0.4779 0.2188 0.073 Uiso 1 calc . . R
C48 C 0.7374(2) 0.46332(9) 0.18489(19) 0.0460(6) Uani 1 d . . .
H48 H 0.7147 0.4997 0.1828 0.055 Uiso 1 calc . . R
C49 C 0.48970(18) 0.50988(7) 0.15822(12) 0.0250(3) Uani 1 d . . .
C50 C 0.5381(2) 0.53004(9) 0.23509(14) 0.0357(4) Uani 1 d . . .
H50 H 0.5681 0.5063 0.2797 0.043 Uiso 1 calc . . R
C51 C 0.5429(3) 0.58468(10) 0.24724(18) 0.0461(6) Uani 1 d . . .
H51 H 0.5764 0.5982 0.3002 0.055 Uiso 1 calc . . R
C52 C 0.4993(3) 0.61929(9) 0.18285(19) 0.0448(6) Uani 1 d . . .
H52 H 0.5025 0.6566 0.1913 0.054 Uiso 1 calc . . R
C53 C 0.4508(3) 0.59968(8) 0.10610(18) 0.0407(5) Uani 1 d . . .
H53 H 0.4210 0.6236 0.0618 0.049 Uiso 1 calc . . R
C54 C 0.4453(2) 0.54512(8) 0.09312(14) 0.0311(4) Uani 1 d . . .
H54 H 0.4114 0.5318 0.0400 0.037 Uiso 1 calc . . R
B2 B 0.4499(3) 0.46806(9) 0.43363(13) 0.0305(4) Uani 1 d . . .
B4 B 0.2083(2) 0.48651(10) 0.28512(13) 0.0325(4) Uani 1 d . . .
H4A H 0.0992 0.4798 0.2241 0.039 Uiso 0.60 calc A 1 R
H4B H 0.1056 0.4753 0.2222 0.039 Uiso 0.40 calc A 2 R
B9 B 0.4103(3) 0.53251(10) 0.43559(14) 0.0371(5) Uani 1 d . . .
B1A B 0.2939(4) 0.43447(15) 0.3561(2) 0.0273(6) Uani 0.60 d B 1 .
H1A H 0.2606 0.3927 0.3536 0.033 Uiso 0.60 calc B 1 R
B3A B 0.3801(3) 0.45942(15) 0.3266(2) 0.0256(6) Uani 0.60 d B 1 .
H3A H 0.4062 0.4306 0.2984 0.031 Uiso 0.60 calc B 1 R
B5A B 0.2735(3) 0.49178(14) 0.3901(2) 0.0230(5) Uiso 0.60 d B 1 .
H5A H 0.2179 0.4888 0.4140 0.028 Uiso 0.60 calc B 1 R
B6A B 0.4962(4) 0.51307(16) 0.3930(2) 0.0235(6) Uiso 0.60 d B 1 .
H6A H 0.6044 0.5140 0.4178 0.028 Uiso 0.60 calc B 1 R
B7A B 0.3302(4) 0.5279(2) 0.2881(2) 0.0283(7) Uani 0.60 d B 1 .
H7A H 0.3053 0.5396 0.2279 0.034 Uiso 0.60 calc B 1 R
B8A B 0.2575(4) 0.55045(15) 0.3338(2) 0.0283(6) Uiso 0.60 d B 1 .
H8A H 0.1775 0.5818 0.3109 0.034 Uiso 0.60 calc B 1 R
B10A B 0.4133(4) 0.57267(15) 0.3685(2) 0.0312(7) Uani 0.60 d B 1 .
H10A H 0.4528 0.6139 0.3750 0.037 Uiso 0.60 calc B 1 R
B1B B 0.2902(5) 0.4668(2) 0.3934(3) 0.0263(9) Uiso 0.40 d B 2 .
H1B H 0.2541 0.4415 0.4192 0.032 Uiso 0.40 calc B 2 R
B3B B 0.3332(6) 0.4393(2) 0.3341(4) 0.0290(10) Uani 0.40 d B 2 .
H3B H 0.3102 0.3966 0.3137 0.035 Uiso 0.40 calc B 2 R
B5B B 0.2167(6) 0.5273(3) 0.3594(4) 0.0367(13) Uani 0.40 d B 2 .
H5B H 0.1368 0.5448 0.3594 0.044 Uiso 0.40 calc B 2 R
B6B B 0.4828(6) 0.4655(2) 0.3631(4) 0.0321(11) Uani 0.40 d B 2 .
H6B H 0.5657 0.4472 0.3667 0.039 Uiso 0.40 calc B 2 R
B7B B 0.3356(6) 0.4996(3) 0.2848(3) 0.0296(11) Uani 0.40 d B 2 .
H7B H 0.3094 0.5059 0.2228 0.036 Uiso 0.40 calc B 2 R
B8B B 0.2964(6) 0.5521(2) 0.3258(4) 0.0284(10) Uiso 0.40 d B 2 .
H8B H 0.2609 0.5929 0.2973 0.034 Uiso 0.40 calc B 2 R
B10B B 0.4755(5) 0.5292(2) 0.3891(3) 0.0213(9) Uiso 0.40 d B 2 .
H10B H 0.5623 0.5566 0.4110 0.026 Uiso 0.40 calc B 2 R
H9A H 0.462(3) 0.5588(12) 0.5028(19) 0.052(8) Uiso 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'
B B 0.0013 0.0007 '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_3
P1 Ag1 P3 116.392(16) .
P2 Ag1 P1 118.636(16) .
P2 Ag1 P3 114.012(16) .
C1 P1 Ag1 112.46(6) .
C1 P1 C7 104.47(8) .
C1 P1 C13 104.49(9) .
C7 P1 Ag1 107.80(5) .
C13 P1 Ag1 122.02(6) .
C13 P1 C7 104.04(8) .
C19 P2 Ag1 109.21(5) .
C25 P2 Ag1 122.19(6) .
C25 P2 C19 103.03(8) .
C31 P2 Ag1 112.26(6) .
C31 P2 C19 105.13(8) .
C31 P2 C25 103.47(8) .
C37 P3 Ag1 116.91(6) .
C43 P3 Ag1 108.29(6) .
C43 P3 C37 103.66(9) .
C49 P3 Ag1 118.77(6) .
C49 P3 C37 103.07(8) .
C49 P3 C43 104.52(8) .
C2 C1 P1 117.53(15) .
C6 C1 P1 123.30(14) .
C6 C1 C2 119.12(18) .
C3 C2 C1 120.6(2) .
C4 C3 C2 120.0(2) .
C3 C4 C5 120.2(2) .
C4 C5 C6 120.3(2) .
C5 C6 C1 119.83(18) .
C8 C7 P1 117.76(13) .
C12 C7 P1 123.60(14) .
C12 C7 C8 118.56(16) .
C9 C8 C7 120.84(18) .
C8 C9 C10 120.0(2) .
C11 C10 C9 119.74(19) .
C10 C11 C12 120.58(19) .
C11 C12 C7 120.28(18) .
C14 C13 P1 123.34(17) .
C14 C13 C18 118.93(19) .
C18 C13 P1 117.72(15) .
C13 C14 C15 119.6(2) .
C16 C15 C14 120.8(2) .
C15 C16 C17 120.2(2) .
C16 C17 C18 120.0(3) .
C17 C18 C13 120.5(2) .
C20 C19 P2 117.37(13) .
C24 C19 P2 124.05(13) .
C24 C19 C20 118.53(17) .
C21 C20 C19 120.53(19) .
C22 C21 C20 120.35(19) .
C23 C22 C21 119.65(19) .
C22 C23 C24 120.6(2) .
C23 C24 C19 120.34(18) .
C26 C25 P2 118.45(13) .
C26 C25 C30 119.42(16) .
C30 C25 P2 122.01(13) .
C25 C26 C27 119.91(17) .
C28 C27 C26 120.27(18) .
C29 C28 C27 119.95(18) .
C28 C29 C30 120.22(19) .
C29 C30 C25 120.21(18) .
C32 C31 P2 123.49(13) .
C36 C31 P2 117.29(13) .
C36 C31 C32 119.21(16) .
C33 C32 C31 120.05(17) .
C34 C33 C32 120.42(18) .
C33 C34 C35 119.87(18) .
C34 C35 C36 120.11(19) .
C35 C36 C31 120.33(17) .
C38 C37 P3 118.29(14) .
C42 C37 P3 122.72(14) .
C42 C37 C38 118.99(17) .
C39 C38 C37 120.45(18) .
C38 C39 C40 120.16(18) .
C41 C40 C39 119.83(19) .
C40 C41 C42 120.49(19) .
C41 C42 C37 120.07(17) .
C44 C43 P3 118.69(14) .
C48 C43 P3 122.65(15) .
C48 C43 C44 118.58(17) .
C45 C44 C43 120.67(18) .
C46 C45 C44 120.0(2) .
C45 C46 C47 119.7(2) .
C48 C47 C46 120.3(2) .
C47 C48 C43 120.7(2) .
C50 C49 P3 118.91(15) .
C50 C49 C54 119.20(18) .
C54 C49 P3 121.89(15) .
C49 C50 C51 120.4(2) .
C52 C51 C50 120.2(2) .
C51 C52 C53 119.9(2) .
C52 C53 C54 120.4(2) .
C53 C54 C49 119.9(2) .
B9 B2 B9 89.09(13) 3_666
B9 B2 B1A 107.6(2) .
B9 B2 B3A 103.69(17) .
B9 B2 B5A 55.33(16) .
B9 B2 B6A 66.67(18) .
B9 B2 B3B 113.1(2) .
B9 B2 B6B 107.1(2) .
B9 B2 B10B 53.9(2) .
B1A B2 B9 133.3(2) 3_666
B1A B2 B3A 57.78(19) .
B1A B2 B5A 55.53(18) .
B1A B2 B6B 88.3(3) .
B1A B2 B10B 113.1(2) .
B3A B2 B9 159.86(19) 3_666
B3A B2 B5A 89.64(17) .
B3A B2 B10B 66.0(2) .
B5A B2 B9 110.48(16) 3_666
B5A B2 B10B 93.1(2) .
B6A B2 B9 112.31(19) 3_666
B6A B2 B1A 114.3(2) .
B6A B2 B3A 60.88(19) .
B6A B2 B5A 104.6(2) .
B6A B2 B6B 43.3(2) .
B6A B2 B10B 13.06(17) .
B1B B2 B9 112.1(2) 3_666
B1B B2 B9 74.6(2) .
B1B B2 B1A 39.7(2) .
B1B B2 B3A 86.6(2) .
B1B B2 B5A 19.4(2) .
B1B B2 B6A 119.1(3) .
B1B B2 B3B 65.1(3) .
B1B B2 B6B 118.9(3) .
B1B B2 B10B 109.2(3) .
B3B B2 B9 154.5(2) 3_666
B3B B2 B1A 29.8(2) .
B3B B2 B3A 28.8(2) .
B3B B2 B5A 75.4(2) .
B3B B2 B6A 89.0(3) .
B3B B2 B6B 58.5(3) .
B3B B2 B10B 92.0(3) .
B6B B2 B9 128.9(3) 3_666
B6B B2 B3A 32.6(2) .
B6B B2 B5A 118.7(2) .
B6B B2 B10B 54.4(3) .
B10B B2 B9 111.9(2) 3_666
B1A B4 B3A 56.48(19) .
B1A B4 B5A 58.37(18) .
B1A B4 B7A 110.9(2) .
B1A B4 B8A 114.0(2) .
B1A B4 B1B 37.7(2) .
B1A B4 B5B 92.5(3) .
B1A B4 B8B 115.5(2) .
B5A B4 B3A 90.79(18) .
B5A B4 B7A 103.27(19) .
B5A B4 B8A 61.45(18) .
B5A B4 B1B 20.78(17) .
B5A B4 B5B 34.3(2) .
B5A B4 B8B 73.8(2) .
B7A B4 B3A 58.4(2) .
B7A B4 B8B 40.6(2) .
B8A B4 B3A 101.5(2) .
B8A B4 B7A 60.4(2) .
B8A B4 B1B 80.6(2) .
B8A B4 B5B 36.8(3) .
B8A B4 B8B 19.80(18) .
B1B B4 B3A 78.4(2) .
B1B B4 B7A 109.7(2) .
B1B B4 B8B 89.8(3) .
B3B B4 B1A 30.4(2) .
B3B B4 B3A 27.8(2) .
B3B B4 B5A 79.8(2) .
B3B B4 B7A 85.9(3) .
B3B B4 B8A 116.8(3) .
B3B B4 B1B 61.6(3) .
B3B B4 B5B 112.6(3) .
B3B B4 B8B 107.3(3) .
B5B B4 B3A 115.3(2) .
B5B B4 B7A 95.3(3) .
B5B B4 B1B 54.9(3) .
B5B B4 B8B 55.5(3) .
B7B B4 B1A 95.1(3) .
B7B B4 B3A 38.9(3) .
B7B B4 B5A 109.8(2) .
B7B B4 B7A 22.9(2) .
B7B B4 B8A 81.5(3) .
B7B B4 B1B 107.6(3) .
B7B B4 B3B 66.5(3) .
B7B B4 B5B 113.4(3) .
B7B B4 B8B 61.8(3) .
B8B B4 B3A 86.3(2) .
B2 B9 B2 90.91(13) 3_666
B2 B9 B6A 57.65(16) .
B2 B9 B8A 109.04(19) .
B2 B9 B10A 110.9(2) .
B2 B9 B1B 50.9(2) .
B2 B9 B5B 99.5(3) .
B2 B9 B8B 103.3(2) .
B5A B9 B2 114.27(19) 3_666
B5A B9 B2 68.17(18) .
B5A B9 B6A 107.3(2) .
B5A B9 B8A 63.8(2) .
B5A B9 B10A 117.9(2) .
B5A B9 B1B 17.42(17) .
B5A B9 B5B 34.2(3) .
B5A B9 B8B 77.5(2) .
B6A B9 B2 111.32(18) 3_666
B6A B9 B1B 95.8(2) .
B8A B9 B2 155.8(2) 3_666
B8A B9 B6A 91.4(2) .
B8A B9 B10A 58.5(2) .
B8A B9 B1B 76.2(2) .
B8A B9 B5B 36.3(2) .
B8A B9 B8B 20.38(18) .
B10A B9 B2 127.7(2) 3_666
B10A B9 B6A 55.55(19) .
B10A B9 B1B 122.4(2) .
B10A B9 B5B 94.7(3) .
B10A B9 B8B 41.0(2) .
B1B B9 B2 108.4(2) 3_666
B5B B9 B2 129.0(3) 3_666
B5B B9 B6A 116.4(3) .
B5B B9 B1B 51.0(3) .
B8B B9 B2 164.5(2) 3_666
B8B B9 B6A 72.3(2) .
B8B B9 B1B 85.7(3) .
B8B B9 B5B 55.5(3) .
B10B B9 B2 116.8(2) 3_666
B10B B9 B2 70.1(2) .
B10B B9 B5A 112.7(2) .
B10B B9 B6A 12.9(2) .
B10B B9 B8A 83.8(2) .
B10B B9 B10A 42.7(2) .
B10B B9 B1B 103.9(3) .
B10B B9 B5B 113.7(3) .
B10B B9 B8B 63.7(3) .
B4 B1A B2 96.9(2) .
B3A B1A B2 62.59(18) .
B3A B1A B4 66.7(2) .
B5A B1A B2 66.71(18) .
B5A B1A B4 62.31(19) .
B5A B1A B3A 99.4(2) .
B2 B3A B4 89.49(18) .
B2 B3A B7A 100.2(2) .
B1A B3A B2 59.64(18) .
B1A B3A B4 56.86(18) .
B1A B3A B6A 113.5(2) .
B1A B3A B7A 112.5(3) .
B6A B3A B2 58.08(17) .
B6A B3A B4 101.8(2) .
B6A B3A B7A 60.3(2) .
B7A B3A B4 59.79(18) .
B4 B5A B2 89.93(18) .
B4 B5A B8A 59.45(18) .
B9 B5A B2 56.50(14) .
B9 B5A B4 101.6(2) .
B9 B5A B1A 110.8(2) .
B9 B5A B8A 59.88(18) .
B1A B5A B2 57.75(17) .
B1A B5A B4 59.32(18) .
B1A B5A B8A 113.1(3) .
B8A B5A B2 98.5(2) .
B2 B6A B9 55.68(15) .
B2 B6A B3A 61.04(18) .
B2 B6A B7A 102.6(2) .
B3A B6A B9 96.5(2) .
B3A B6A B7A 60.6(2) .
B7A B6A B9 86.3(2) .
B10A B6A B2 111.4(3) .
B10A B6A B9 58.09(19) .
B10A B6A B3A 113.1(3) .
B10A B6A B7A 57.3(2) .
B3A B7A B4 61.8(2) .
B3A B7A B8A 102.1(2) .
B6A B7A B4 102.3(2) .
B6A B7A B3A 59.0(2) .
B6A B7A B8A 91.5(2) .
B8A B7A B4 57.85(18) .
B10A B7A B4 111.4(3) .
B10A B7A B3A 112.3(2) .
B10A B7A B6A 58.0(2) .
B10A B7A B8A 58.1(2) .
B4 B8A B5A 59.10(17) .
B4 B8A B7A 61.8(2) .
B9 B8A B4 98.8(2) .
B9 B8A B5A 56.30(18) .
B9 B8A B7A 90.6(2) .
B5A B8A B7A 102.6(3) .
B10A B8A B4 114.0(3) .
B10A B8A B9 61.0(2) .
B10A B8A B5A 113.3(3) .
B10A B8A B7A 57.0(2) .
B6A B10A B9 66.36(19) .
B6A B10A B8A 99.5(3) .
B7A B10A B9 94.9(2) .
B7A B10A B6A 64.7(2) .
B7A B10A B8A 64.9(2) .
B8A B10A B9 60.5(2) .
B2 B1B B4 97.2(3) .
B2 B1B B9 54.50(19) .
B2 B1B B3B 60.1(3) .
B2 B1B B5B 111.4(4) .
B4 B1B B9 88.0(3) .
B3B B1B B4 55.3(3) .
B3B B1B B9 96.7(3) .
B5B B1B B4 62.0(3) .
B5B B1B B9 59.9(3) .
B5B B1B B3B 113.5(4) .
B2 B3B B1B 54.8(3) .
B2 B3B B7B 90.8(3) .
B4 B3B B2 99.0(3) .
B4 B3B B1B 63.1(3) .
B4 B3B B6B 109.8(4) .
B4 B3B B7B 56.5(3) .
B1B B3B B7B 101.8(4) .
B6B B3B B2 62.9(3) .
B6B B3B B1B 113.5(4) .
B6B B3B B7B 56.8(3) .
B4 B5B B9 93.3(3) .
B1B B5B B4 63.1(3) .
B1B B5B B9 69.1(3) .
B1B B5B B8B 100.4(4) .
B8B B5B B4 63.5(3) .
B8B B5B B9 60.1(3) .
B3B B6B B2 58.6(3) .
B7B B6B B2 93.3(3) .
B7B B6B B3B 65.3(4) .
B7B B6B B10B 65.0(4) .
B10B B6B B2 66.9(3) .
B10B B6B B3B 100.4(4) .
B4 B7B B3B 57.0(3) .
B4 B7B B6B 111.2(4) .
B4 B7B B8B 63.8(3) .
B4 B7B B10B 105.0(4) .
B6B B7B B3B 57.9(4) .
B6B B7B B8B 112.8(4) .
B6B B7B B10B 57.8(3) .
B8B B7B B3B 102.2(4) .
B8B B7B B10B 60.1(3) .
B10B B7B B3B 91.6(4) .
B9 B8B B4 94.4(3) .
B9 B8B B7B 99.5(3) .
B9 B8B B10B 54.6(2) .
B5B B8B B4 61.0(3) .
B5B B8B B9 64.5(3) .
B5B B8B B7B 111.6(4) .
B5B B8B B10B 113.6(4) .
B7B B8B B4 54.4(3) .
B7B B8B B10B 60.2(3) .
B10B B8B B4 98.4(3) .
B9 B10B B2 55.91(19) .
B9 B10B B6B 113.1(4) .
B9 B10B B7B 104.2(3) .
B9 B10B B8B 61.6(3) .
B6B B10B B2 58.7(3) .
B6B B10B B7B 57.2(3) .
B6B B10B B8B 111.8(4) .
B7B B10B B2 84.9(3) .
B8B B10B B2 93.5(3) .
B8B B10B B7B 59.6(3) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 P1 2.5055(5) .
Ag1 P2 2.5041(5) .
Ag1 P3 2.5101(5) .
P1 C1 1.8180(19) .
P1 C7 1.8216(17) .
P1 C13 1.8211(19) .
P2 C19 1.8251(17) .
P2 C25 1.8209(17) .
P2 C31 1.8125(17) .
P3 C37 1.8223(19) .
P3 C43 1.8218(18) .
P3 C49 1.8183(18) .
C1 C2 1.399(3) .
C1 C6 1.395(3) .
C2 C3 1.387(3) .
C3 C4 1.380(4) .
C4 C5 1.387(3) .
C5 C6 1.395(3) .
C7 C8 1.397(3) .
C7 C12 1.397(2) .
C8 C9 1.387(3) .
C9 C10 1.388(3) .
C10 C11 1.381(3) .
C11 C12 1.390(3) .
C13 C14 1.387(3) .
C13 C18 1.401(3) .
C14 C15 1.397(3) .
C15 C16 1.369(4) .
C16 C17 1.373(4) .
C17 C18 1.387(3) .
C19 C20 1.401(2) .
C19 C24 1.391(2) .
C20 C21 1.384(3) .
C21 C22 1.383(3) .
C22 C23 1.376(3) .
C23 C24 1.391(3) .
C25 C26 1.388(2) .
C25 C30 1.393(2) .
C26 C27 1.392(3) .
C27 C28 1.383(3) .
C28 C29 1.378(3) .
C29 C30 1.387(3) .
C31 C32 1.390(2) .
C31 C36 1.389(2) .
C32 C33 1.390(3) .
C33 C34 1.374(3) .
C34 C35 1.385(3) .
C35 C36 1.385(3) .
C37 C38 1.399(2) .
C37 C42 1.396(2) .
C38 C39 1.384(3) .
C39 C40 1.386(3) .
C40 C41 1.384(3) .
C41 C42 1.387(3) .
C43 C44 1.396(3) .
C43 C48 1.389(3) .
C44 C45 1.388(3) .
C45 C46 1.382(3) .
C46 C47 1.385(4) .
C47 C48 1.384(3) .
C49 C50 1.386(3) .
C49 C54 1.394(3) .
C50 C51 1.389(3) .
C51 C52 1.376(4) .
C52 C53 1.379(4) .
C53 C54 1.389(3) .
B2 B9 1.706(3) .
B2 B9 2.056(3) 3_666
B2 B1A 1.748(4) .
B2 B3A 1.798(4) .
B2 B5A 1.899(4) .
B2 B6A 1.745(4) .
B2 B1B 1.626(6) .
B2 B3B 1.725(6) .
B2 B6B 1.798(6) .
B2 B10B 1.937(6) .
B4 B1A 1.721(4) .
B4 B3A 1.888(4) .
B4 B5A 1.772(4) .
B4 B7A 1.851(5) .
B4 B8A 1.779(4) .
B4 B1B 1.831(6) .
B4 B3B 1.688(6) .
B4 B5B 1.813(7) .
B4 B7B 1.680(6) .
B4 B8B 1.854(6) .
B9 B2 2.056(3) 3_666
B9 B5A 1.682(5) .
B9 B6A 1.896(5) .
B9 B8A 1.749(4) .
B9 B10A 1.757(4) .
B9 B1B 2.020(6) .
B9 B5B 1.870(6) .
B9 B8B 1.796(6) .
B9 B10B 1.665(6) .
B1A B3A 1.714(6) .
B1A B5A 1.704(5) .
B3A B6A 1.796(5) .
B3A B7A 1.825(6) .
B5A B8A 1.814(5) .
B6A B7A 1.819(5) .
B6A B10A 1.707(6) .
B7A B8A 1.826(6) .
B7A B10A 1.692(6) .
B8A B10A 1.713(6) .
B1B B3B 1.805(8) .
B1B B5B 1.678(9) .
B3B B6B 1.722(9) .
B3B B7B 1.847(9) .
B5B B8B 1.708(9) .
B6B B7B 1.701(9) .
B6B B10B 1.712(8) .
B7B B8B 1.822(9) .
B7B B10B 1.833(8) .
B8B B10B 1.831(8) .
