#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:45:54 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180154 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/50/7105084.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_7105084
loop_
_publ_author_name
'Neil Poulter'
'Xavier Munoz-Berbel'
'Andrew L. Johnson'
'Andrea J. Dowling'
'Nicholas Waterfield'
'A. Tobias A. Jenkins'
_publ_section_title
;
 An organo-silver compound that shows antimicrobial activity against
 Pseudomonas aeruginosa as a monomer and plasma deposited film
;
_journal_name_full               'Chem. Commun.'
_journal_page_first              7312
_journal_page_last               7314
_journal_paper_doi               10.1039/b915467a
_journal_year                    2009
_chemical_formula_sum            'C45 H45 Ag N O3 P2'
_chemical_formula_weight         817.63
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.7750(10)
_cell_angle_beta                 97.0150(10)
_cell_angle_gamma                115.2380(10)
_cell_formula_units_Z            2
_cell_length_a                   12.2293(3)
_cell_length_b                   13.2667(3)
_cell_length_c                   13.3833(4)
_cell_measurement_reflns_used    49398
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      2.910
_cell_volume                     1941.01(9)
_computing_cell_refinement       'HKL Scalepack (Otwinski & Minor, 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
;
DENZO-SCALEPACK Z. Otwinowski and W. Minor, "
Processing of X-ray Diffraction Data Collected in Oscillation Mode ",
Methods in Enzymology, Volume 276: Macromolecular Crystallography,
part A, p.307-326, 1997,C.W. Carter, Jr. & R. M. Sweet, Eds., Academic Press.
;
_computing_molecular_graphics
'ORTEP3 for Windows - Farrugia, L. J. J. Appl. Crystallogr. 1997, 30, 565'
_computing_publication_material
;
WinGX publication routines, Farrugia,
L. J., J. Appl. Crystallogr., 1999, 32, 837-838
;
_computing_structure_refinement
;
SHELXL97 -Program for Crystal Structure Analysis (Release 97-2).
Sheldrick, G.M., Institüt für Anorganische Chemie der Universität,
Tammanstrasse 4, D-3400 Göttingen, Germany, 1998
;
_computing_structure_solution
;
SIR97- Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C. ,
Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R.
(1999) J. Appl. Cryst. 32, 115-119
;
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       '198 2.0 degree images with \v scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0426
_diffrn_reflns_av_sigmaI/netI    0.0528
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            32121
_diffrn_reflns_theta_full        30.04
_diffrn_reflns_theta_max         30.04
_diffrn_reflns_theta_min         3.99
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.643
_exptl_absorpt_correction_T_max  0.8930
_exptl_absorpt_correction_T_min  0.7392
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements
Sortav (Blessing 1995)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.399
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             846
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.106
_refine_diff_density_min         -0.791
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     471
_refine_ls_number_reflns         11154
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0642
_refine_ls_R_factor_gt           0.0434
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0324P)²+2.3739P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0919
_refine_ls_wR_factor_ref         0.1016
_reflns_number_gt                8838
_reflns_number_total             11154
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b915467a.txt
_cod_data_source_block           k07atj1
_cod_database_code               7105084
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag Ag 0.764305(17) 0.201256(16) 0.257979(14) 0.02496(6) Uani 1 1 d . . .
P1 P 0.72428(6) 0.35477(5) 0.19747(5) 0.02259(12) Uani 1 1 d . . .
P2 P 0.87062(6) 0.11744(5) 0.15950(5) 0.02370(13) Uani 1 1 d . . .
N N 0.7067(2) 0.09295(18) 0.38440(16) 0.0280(4) Uani 1 1 d . . .
O1 O 0.8526(2) 0.1741(3) 0.5243(2) 0.0736(9) Uani 1 1 d . . .
O2 O 0.5439(3) -0.0352(2) 0.2775(2) 0.0763(10) Uani 1 1 d . . .
C1 C 0.6386(2) 0.4040(2) 0.27163(19) 0.0250(5) Uani 1 1 d . . .
C2 C 0.6519(3) 0.5139(2) 0.2750(2) 0.0308(5) Uani 1 1 d . . .
H2 H 0.7131 0.5683 0.2429 0.037 Uiso 1 1 calc R . .
C3 C 0.5751(3) 0.5437(3) 0.3256(2) 0.0364(6) Uani 1 1 d . . .
H3 H 0.5841 0.6185 0.3279 0.044 Uiso 1 1 calc R . .
C4 C 0.4860(3) 0.4644(3) 0.3722(2) 0.0404(7) Uani 1 1 d . . .
H4 H 0.4328 0.4846 0.4054 0.049 Uiso 1 1 calc R . .
C5 C 0.4739(3) 0.3558(3) 0.3708(2) 0.0412(7) Uani 1 1 d . . .
H5 H 0.4131 0.3019 0.4036 0.049 Uiso 1 1 calc R . .
C6 C 0.5506(2) 0.3255(2) 0.3216(2) 0.0326(6) Uani 1 1 d . . .
H6 H 0.5431 0.2513 0.3218 0.039 Uiso 1 1 calc R . .
C7 C 0.8644(2) 0.4792(2) 0.18959(19) 0.0235(5) Uani 1 1 d . . .
C8 C 0.8948(2) 0.5259(2) 0.0993(2) 0.0311(5) Uani 1 1 d . . .
H8 H 0.8391 0.4950 0.0384 0.037 Uiso 1 1 calc R . .
C9 C 1.0060(3) 0.6173(2) 0.0982(2) 0.0380(6) Uani 1 1 d . . .
H9 H 1.0264 0.6484 0.0363 0.046 Uiso 1 1 calc R . .
C10 C 1.0873(3) 0.6634(2) 0.1864(2) 0.0363(6) Uani 1 1 d . . .
H10 H 1.1634 0.7261 0.1852 0.044 Uiso 1 1 calc R . .
C11 C 1.0579(2) 0.6180(2) 0.2770(2) 0.0328(6) Uani 1 1 d . . .
H11 H 1.1131 0.6506 0.3379 0.039 Uiso 1 1 calc R . .
C12 C 0.9480(2) 0.5252(2) 0.2785(2) 0.0298(5) Uani 1 1 d . . .
H12 H 0.9293 0.4926 0.3401 0.036 Uiso 1 1 calc R . .
C13 C 0.6378(2) 0.3264(2) 0.07033(19) 0.0246(5) Uani 1 1 d . . .
C14 C 0.6600(2) 0.2617(2) -0.0016(2) 0.0296(5) Uani 1 1 d . . .
H14 H 0.7215 0.2368 0.0157 0.035 Uiso 1 1 calc R . .
C15 C 0.5935(3) 0.2334(2) -0.0982(2) 0.0359(6) Uani 1 1 d . . .
H15 H 0.6092 0.1889 -0.1462 0.043 Uiso 1 1 calc R . .
C16 C 0.5042(3) 0.2698(3) -0.1246(2) 0.0381(6) Uani 1 1 d . . .
H16 H 0.4584 0.2502 -0.1906 0.046 Uiso 1 1 calc R . .
C17 C 0.4821(3) 0.3350(3) -0.0542(2) 0.0394(7) Uani 1 1 d . . .
H17 H 0.4214 0.3607 -0.0724 0.047 Uiso 1 1 calc R . .
C18 C 0.5482(2) 0.3631(2) 0.0430(2) 0.0327(6) Uani 1 1 d . . .
H18 H 0.5321 0.4075 0.0909 0.039 Uiso 1 1 calc R . .
C19 C 0.8857(2) -0.0033(2) 0.2095(2) 0.0266(5) Uani 1 1 d . . .
C20 C 0.9303(3) 0.0065(2) 0.3119(2) 0.0357(6) Uani 1 1 d . . .
H20 H 0.9479 0.0727 0.3532 0.043 Uiso 1 1 calc R . .
C21 C 0.9491(3) -0.0803(3) 0.3539(3) 0.0452(7) Uani 1 1 d . . .
H21 H 0.9814 -0.0727 0.4234 0.054 Uiso 1 1 calc R . .
C22 C 0.9206(3) -0.1783(3) 0.2944(3) 0.0418(7) Uani 1 1 d . . .
H22 H 0.9338 -0.2375 0.3231 0.050 Uiso 1 1 calc R . .
C23 C 0.8735(3) -0.1896(2) 0.1944(2) 0.0381(6) Uani 1 1 d . . .
H23 H 0.8523 -0.2575 0.1544 0.046 Uiso 1 1 calc R . .
C24 C 0.8564(3) -0.1021(2) 0.1507(2) 0.0316(6) Uani 1 1 d . . .
H24 H 0.8247 -0.1102 0.0810 0.038 Uiso 1 1 calc R . .
C25 C 0.7973(2) 0.0654(2) 0.02978(19) 0.0253(5) Uani 1 1 d . . .
C26 C 0.6709(2) -0.0007(2) 0.0137(2) 0.0329(6) Uani 1 1 d . . .
H26 H 0.6271 -0.0173 0.0696 0.039 Uiso 1 1 calc R . .
C27 C 0.6093(3) -0.0420(2) -0.0832(2) 0.0381(6) Uani 1 1 d . . .
H27 H 0.5235 -0.0871 -0.0934 0.046 Uiso 1 1 calc R . .
C28 C 0.6721(3) -0.0181(2) -0.1655(2) 0.0378(6) Uani 1 1 d . . .
H28 H 0.6294 -0.0467 -0.2318 0.045 Uiso 1 1 calc R . .
C29 C 0.7967(3) 0.0473(2) -0.1508(2) 0.0342(6) Uani 1 1 d . . .
H29 H 0.8398 0.0637 -0.2071 0.041 Uiso 1 1 calc R . .
C30 C 0.8595(2) 0.0891(2) -0.0538(2) 0.0291(5) Uani 1 1 d . . .
H30 H 0.9453 0.1342 -0.0443 0.035 Uiso 1 1 calc R . .
C31 C 1.0274(2) 0.2154(2) 0.15063(19) 0.0251(5) Uani 1 1 d . . .
C32 C 1.1160(2) 0.1807(2) 0.1300(2) 0.0334(6) Uani 1 1 d . . .
H32 H 1.0954 0.1031 0.1205 0.040 Uiso 1 1 calc R . .
C33 C 1.2341(3) 0.2591(3) 0.1234(2) 0.0378(6) Uani 1 1 d . . .
H33 H 1.2938 0.2349 0.1092 0.045 Uiso 1 1 calc R . .
C34 C 1.2650(3) 0.3726(2) 0.1374(2) 0.0351(6) Uani 1 1 d . . .
H34 H 1.3456 0.4261 0.1322 0.042 Uiso 1 1 calc R . .
C35 C 1.1786(2) 0.4077(2) 0.1590(2) 0.0320(6) Uani 1 1 d . . .
H35 H 1.1998 0.4854 0.1689 0.038 Uiso 1 1 calc R . .
C36 C 1.0606(2) 0.3299(2) 0.1663(2) 0.0288(5) Uani 1 1 d . . .
H36 H 1.0020 0.3548 0.1821 0.035 Uiso 1 1 calc R . .
C41 C 0.7619(3) 0.0949(3) 0.4787(2) 0.0440(7) Uani 1 1 d . . .
C42 C 0.6972(3) -0.0150(4) 0.5249(3) 0.0711(14) Uani 1 1 d . B .
H42 H 0.7191 -0.0347 0.5894 0.085 Uiso 1 1 calc R . .
C43 C 0.5929(4) -0.0837(3) 0.4468(3) 0.0670(12) Uani 1 1 d . . .
H43A H 0.6139 -0.1441 0.4217 0.080 Uiso 0.50 1 calc PR A 1
H43B H 0.5442 -0.0749 0.4742 0.080 Uiso 0.50 1 d PR A 2
C44 C 0.6087(3) -0.0078(3) 0.3589(2) 0.0423(7) Uani 1 1 d . B .
C45 C 0.4921(4) -0.1348(4) 0.4746(3) 0.0193(8) Uiso 0.50 1 d P B 1
H45A H 0.4575 -0.0807 0.4847 0.023 Uiso 0.50 1 calc PR B 1
H45B H 0.5061 -0.1607 0.5415 0.023 Uiso 0.50 1 calc PR B 1
C46 C 0.4024(8) -0.2280(7) 0.4114(6) 0.053(2) Uiso 0.50 1 d P B 1
H46A H 0.3276 -0.2599 0.4423 0.080 Uiso 0.50 1 calc PR B 1
H46B H 0.4329 -0.2847 0.4029 0.080 Uiso 0.50 1 calc PR B 1
H46C H 0.3846 -0.2041 0.3453 0.080 Uiso 0.50 1 calc PR B 1
C45A C 0.5386(5) -0.1934(4) 0.4154(4) 0.0288(10) Uiso 0.50 1 d P B 2
H45C H 0.5631 -0.2315 0.4701 0.035 Uiso 0.50 1 calc PR B 2
H45D H 0.5771 -0.2025 0.3569 0.035 Uiso 0.50 1 calc PR B 2
C46A C 0.4146(7) -0.2546(7) 0.3873(6) 0.0480(18) Uiso 0.50 1 d P B 2
H46D H 0.3967 -0.3323 0.3669 0.072 Uiso 0.50 1 calc PR B 2
H46E H 0.3864 -0.2225 0.3304 0.072 Uiso 0.50 1 calc PR B 2
H46F H 0.3724 -0.2525 0.4445 0.072 Uiso 0.50 1 calc PR B 2
O3 O -0.0098(2) 0.3393(2) 0.4193(2) 0.0546(7) Uani 1 1 d . . .
H3A H -0.060(4) 0.287(3) 0.446(3) 0.055(11) Uiso 1 1 d . . .
C51 C 0.1868(3) 0.4932(3) 0.4602(2) 0.0421(7) Uani 1 1 d . . .
H51A H 0.1484 0.5401 0.4816 0.063 Uiso 1 1 calc R . .
H51B H 0.1940 0.4988 0.3882 0.063 Uiso 1 1 calc R . .
H51C H 0.2683 0.5188 0.4997 0.063 Uiso 1 1 calc R . .
C52 C 0.1096(3) 0.3733(3) 0.4772(2) 0.0372(6) Uani 1 1 d . . .
H52 H 0.1015 0.3686 0.5506 0.045 Uiso 1 1 calc R . .
C53 C 0.1650(3) 0.2964(3) 0.4460(2) 0.0434(7) Uani 1 1 d . . .
H53A H 0.1124 0.2195 0.4584 0.065 Uiso 1 1 calc R . .
H53B H 0.2463 0.3204 0.4856 0.065 Uiso 1 1 calc R . .
H53C H 0.1722 0.2998 0.3739 0.065 Uiso 1 1 calc R . .
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
_geom_angle_publ_flag
N Ag P1 133.67(6) . . ?
N Ag P2 105.25(6) . . ?
P1 Ag P2 120.66(2) . . ?
C1 P1 C7 104.54(11) . . ?
C1 P1 C13 102.93(11) . . ?
C7 P1 C13 104.03(11) . . ?
C1 P1 Ag 116.86(8) . . ?
C7 P1 Ag 112.29(8) . . ?
C13 P1 Ag 114.79(8) . . ?
C25 P2 C31 105.53(11) . . ?
C25 P2 C19 102.82(12) . . ?
C31 P2 C19 103.67(11) . . ?
C25 P2 Ag 114.62(8) . . ?
C31 P2 Ag 112.91(8) . . ?
C19 P2 Ag 115.99(8) . . ?
C41 N C44 109.4(2) . . ?
C41 N Ag 133.20(18) . . ?
C44 N Ag 115.87(18) . . ?
C2 C1 C6 119.5(2) . . ?
C2 C1 P1 122.72(19) . . ?
C6 C1 P1 117.7(2) . . ?
C1 C2 C3 119.9(3) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 H2 120.1 . . ?
C4 C3 C2 120.1(3) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C5 C4 C3 120.3(3) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C4 C5 C6 120.1(3) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 C1 120.2(3) . . ?
C5 C6 H6 119.9 . . ?
C1 C6 H6 119.9 . . ?
C8 C7 C12 119.1(2) . . ?
C8 C7 P1 123.3(2) . . ?
C12 C7 P1 117.41(19) . . ?
C9 C8 C7 120.2(3) . . ?
C9 C8 H8 119.9 . . ?
C7 C8 H8 119.9 . . ?
C10 C9 C8 120.4(3) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C9 C10 C11 120.0(3) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C12 C11 C10 120.0(3) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C12 C7 120.3(2) . . ?
C11 C12 H12 119.9 . . ?
C7 C12 H12 119.9 . . ?
C18 C13 C14 118.7(2) . . ?
C18 C13 P1 123.1(2) . . ?
C14 C13 P1 118.23(19) . . ?
C15 C14 C13 120.8(2) . . ?
C15 C14 H14 119.6 . . ?
C13 C14 H14 119.6 . . ?
C16 C15 C14 120.2(3) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C15 C16 C17 119.6(3) . . ?
C15 C16 H16 120.2 . . ?
C17 C16 H16 120.2 . . ?
C16 C17 C18 120.5(3) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
C13 C18 C17 120.3(3) . . ?
C13 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C24 C19 C20 119.3(2) . . ?
C24 C19 P2 123.5(2) . . ?
C20 C19 P2 117.1(2) . . ?
C21 C20 C19 120.1(3) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C22 C21 C20 120.1(3) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C23 C22 C21 120.0(3) . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C23 C24 120.5(3) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C19 C24 C23 119.9(3) . . ?
C19 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
C30 C25 C26 118.7(2) . . ?
C30 C25 P2 123.9(2) . . ?
C26 C25 P2 117.41(19) . . ?
C27 C26 C25 120.4(3) . . ?
C27 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
C26 C27 C28 120.4(3) . . ?
C26 C27 H27 119.8 . . ?
C28 C27 H27 119.8 . . ?
C29 C28 C27 119.9(3) . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C28 C29 C30 120.2(3) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 H29 119.9 . . ?
C29 C30 C25 120.5(2) . . ?
C29 C30 H30 119.7 . . ?
C25 C30 H30 119.7 . . ?
C32 C31 C36 118.7(2) . . ?
C32 C31 P2 122.8(2) . . ?
C36 C31 P2 118.52(19) . . ?
C33 C32 C31 120.3(3) . . ?
C33 C32 H32 119.8 . . ?
C31 C32 H32 119.8 . . ?
C34 C33 C32 120.2(3) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C35 C34 C33 119.9(3) . . ?
C35 C34 H34 120.1 . . ?
C33 C34 H34 120.1 . . ?
C34 C35 C36 120.3(3) . . ?
C34 C35 H35 119.8 . . ?
C36 C35 H35 119.8 . . ?
C35 C36 C31 120.6(2) . . ?
C35 C36 H36 119.7 . . ?
C31 C36 H36 119.7 . . ?
O1 C41 N 125.8(3) . . ?
O1 C41 C42 122.5(3) . . ?
N C41 C42 111.7(3) . . ?
C43 C42 C41 104.4(3) . . ?
C43 C42 H42 127.8 . . ?
C41 C42 H42 127.8 . . ?
C45 C43 C45A 66.4(3) . . ?
C45 C43 C42 117.5(4) . . ?
C45A C43 C42 133.1(5) . . ?
C45 C43 C44 121.3(4) . . ?
C45A C43 C44 113.2(4) . . ?
C42 C43 C44 103.4(3) . . ?
C45 C43 H43A 104.3 . . ?
C42 C43 H43A 104.3 . . ?
C44 C43 H43A 104.3 . . ?
C45A C43 H43B 103.7 . . ?
C42 C43 H43B 94.8 . . ?
C44 C43 H43B 103.5 . . ?
H43A C43 H43B 141.3 . . ?
O2 C44 N 124.3(3) . . ?
O2 C44 C43 124.6(3) . . ?
N C44 C43 111.0(3) . . ?
C43 C45 C46 118.2(5) . . ?
C46 C45 H43B 143.3 . . ?
C43 C45 H45A 107.8 . . ?
C46 C45 H45A 107.8 . . ?
H43B C45 H45A 72.3 . . ?
C43 C45 H45B 107.8 . . ?
C46 C45 H45B 107.8 . . ?
H43B C45 H45B 107.0 . . ?
H45A C45 H45B 107.1 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C43 C45A C46A 124.2(6) . . ?
C43 C45A H45C 106.3 . . ?
C46A C45A H45C 106.3 . . ?
C43 C45A H45D 106.3 . . ?
C46A C45A H45D 106.3 . . ?
H45C C45A H45D 106.4 . . ?
C45A C46A H46D 109.5 . . ?
C45A C46A H46E 109.5 . . ?
H46D C46A H46E 109.5 . . ?
C45A C46A H46F 109.5 . . ?
H46D C46A H46F 109.5 . . ?
H46E C46A H46F 109.5 . . ?
C52 O3 H3A 108(3) . . ?
C52 C51 H51A 109.5 . . ?
C52 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C52 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
O3 C52 C51 107.8(3) . . ?
O3 C52 C53 110.1(3) . . ?
C51 C52 C53 112.0(3) . . ?
O3 C52 H52 109.0 . . ?
C51 C52 H52 109.0 . . ?
C53 C52 H52 109.0 . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
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
Ag N 2.236(2) . ?
Ag P1 2.4287(6) . ?
Ag P2 2.4949(6) . ?
P1 C1 1.819(2) . ?
P1 C7 1.821(2) . ?
P1 C13 1.827(3) . ?
P2 C25 1.820(3) . ?
P2 C31 1.822(3) . ?
P2 C19 1.826(3) . ?
N C41 1.351(4) . ?
N C44 1.358(4) . ?
O1 C41 1.228(4) . ?
O2 C44 1.211(4) . ?
C1 C2 1.394(4) . ?
C1 C6 1.397(4) . ?
C2 C3 1.398(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.383(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.383(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.390(4) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.393(4) . ?
C7 C12 1.400(4) . ?
C8 C9 1.385(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.381(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.389(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.386(4) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.392(4) . ?
C13 C14 1.396(4) . ?
C14 C15 1.388(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.384(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.386(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.394(4) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C24 1.390(4) . ?
C19 C20 1.393(4) . ?
C20 C21 1.389(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.388(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.367(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.397(4) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C30 1.398(3) . ?
C25 C26 1.399(4) . ?
C26 C27 1.383(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.387(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.379(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.389(4) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.397(4) . ?
C31 C36 1.397(3) . ?
C32 C33 1.390(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.388(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.380(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.388(4) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C41 C42 1.525(5) . ?
C42 C43 1.475(5) . ?
C42 H42 0.9500 . ?
C43 C45 1.238(6) . ?
C43 C45A 1.344(6) . ?
C43 C44 1.548(4) . ?
C43 H43A 1.0000 . ?
C43 H43B 0.7829 . ?
C45 C46 1.414(9) . ?
C45 H43B 0.7794 . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C45A C46A 1.375(9) . ?
C45A H45C 0.9900 . ?
C45A H45D 0.9900 . ?
C46A H46D 0.9800 . ?
C46A H46E 0.9800 . ?
C46A H46F 0.9800 . ?
O3 C52 1.441(4) . ?
O3 H3A 0.83(4) . ?
C51 C52 1.506(4) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 C53 1.520(5) . ?
C52 H52 1.0000 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
