#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:31:51 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179923 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/18/7021801.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_7021801
loop_
_publ_author_name
'Xie, Yun-Peng'
'Mak, Thomas C. W.'
_publ_section_title
;
 New synthesis of silver phosphonate complexes from polymeric silver
 phenylethynide as a structure-directing precursor.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12869
_journal_page_last               12872
_journal_paper_doi               10.1039/c3dt51461g
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C12 H14 Ag4 O8 P2'
_chemical_formula_weight         779.65
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_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                 98.276(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.2461(11)
_cell_length_b                   28.040(4)
_cell_length_c                   8.1257(11)
_cell_measurement_temperature    296(2)
_cell_volume                     1859.3(4)
_computing_cell_refinement       SAINT(Bruker,2001)
_computing_data_collection       APEX2(Bruker,2003)
_computing_data_reduction        APEX2(Bruker,2003)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0314
_diffrn_reflns_av_sigmaI/netI    0.0196
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            26236
_diffrn_reflns_theta_full        27.88
_diffrn_reflns_theta_max         27.88
_diffrn_reflns_theta_min         1.45
_exptl_absorpt_coefficient_mu    4.360
_exptl_absorpt_correction_T_max  0.774
_exptl_absorpt_correction_T_min  0.656
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.785
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.942
_refine_diff_density_min         -1.542
_refine_diff_density_rms         0.576
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.152
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     235
_refine_ls_number_reflns         4425
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.152
_refine_ls_R_factor_all          0.0427
_refine_ls_R_factor_gt           0.0267
_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)+(0.0467P)²+1.9683P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0796
_refine_ls_wR_factor_ref         0.0969
_reflns_number_gt                3536
_reflns_number_total             4425
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51461g.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P21/C
_cod_database_code               7021801
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
Ag1 Ag 0.69369(4) 0.501480(13) 0.06409(4) 0.04097(11) Uani 1 1 d .
Ag2 Ag 0.93552(4) 0.461294(12) -0.19897(4) 0.03694(10) Uani 1 1 d .
Ag3 Ag 0.80289(4) 0.497728(12) 0.44356(4) 0.03850(11) Uani 1 1 d .
Ag4 Ag 0.43172(4) 0.456884(12) 0.28376(4) 0.03631(10) Uani 1 1 d .
P1 P 0.50929(10) 0.56769(3) 0.29632(10) 0.02407(19) Uani 1 1 d .
P2 P 0.98059(10) 0.42972(3) 0.20853(10) 0.02460(19) Uani 1 1 d .
O1 O 0.5700(3) 0.56523(11) 0.1284(3) 0.0375(6) Uani 1 1 d .
O2 O 0.6505(3) 0.56160(9) 0.4391(3) 0.0296(5) Uani 1 1 d .
O3 O 0.3688(3) 0.53353(10) 0.3116(4) 0.0348(6) Uani 1 1 d .
O4 O 0.9379(4) 0.43561(11) 0.3834(3) 0.0401(7) Uani 1 1 d .
O5 O 1.1230(3) 0.46151(9) 0.1764(4) 0.0348(6) Uani 1 1 d .
O6 O 0.8323(3) 0.43564(10) 0.0736(3) 0.0332(6) Uani 1 1 d .
OW1 O 1.0694(4) 0.39867(13) -0.2683(5) 0.0583(9) Uani 1 1 d .
OW2 O 0.5390(4) 0.39247(13) 0.1934(4) 0.0521(8) Uani 1 1 d .
C1 C 0.4309(4) 0.62756(13) 0.3135(4) 0.0279(7) Uani 1 1 d .
C2 C 0.3106(4) 0.63709(15) 0.4123(5) 0.0367(9) Uani 1 1 d .
H2 H 0.2693 0.6123 0.4698 0.044 Uiso 1 1 calc R
C3 C 0.2511(6) 0.68269(17) 0.4269(6) 0.0524(12) Uani 1 1 d .
H3 H 0.1707 0.6885 0.4937 0.063 Uiso 1 1 calc R
C4 C 0.3120(6) 0.71979(16) 0.3413(7) 0.0576(13) Uani 1 1 d .
H4 H 0.2720 0.7506 0.3500 0.069 Uiso 1 1 calc R
C5 C 0.4299(6) 0.71118(17) 0.2450(7) 0.0543(12) Uani 1 1 d .
H5 H 0.4708 0.7362 0.1882 0.065 Uiso 1 1 calc R
C6 C 0.4901(5) 0.66576(15) 0.2302(5) 0.0424(10) Uani 1 1 d .
H6 H 0.5713 0.6606 0.1637 0.051 Uiso 1 1 calc R
C7 C 1.0468(4) 0.36847(14) 0.1951(4) 0.0272(7) Uani 1 1 d .
C8 C 0.9756(5) 0.33809(14) 0.0694(5) 0.0377(9) Uani 1 1 d .
H8 H 0.8885 0.3488 -0.0072 0.045 Uiso 1 1 calc R
C9 C 1.0338(6) 0.29201(16) 0.0579(6) 0.0512(11) Uani 1 1 d .
H9 H 0.9877 0.2723 -0.0284 0.061 Uiso 1 1 calc R
C10 C 1.1593(6) 0.27523(17) 0.1735(7) 0.0560(12) Uani 1 1 d .
H10 H 1.1970 0.2442 0.1659 0.067 Uiso 1 1 calc R
C11 C 1.1750(4) 0.35103(14) 0.3115(5) 0.0361(8) Uani 1 1 d .
H11 H 1.2240 0.3707 0.3964 0.043 Uiso 1 1 calc R
C12 C 1.2288(5) 0.30451(16) 0.3004(6) 0.0493(11) Uani 1 1 d .
H12 H 1.3126 0.2930 0.3793 0.059 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
Ag Ag -0.8971 1.1015 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
O1 Ag1 O6 164.14(9) . .
O1 Ag1 Ag3 82.34(7) . .
O6 Ag1 Ag3 81.89(7) . .
O1 Ag1 Ag4 78.54(7) . 3_665
O6 Ag1 Ag4 117.32(7) . 3_665
Ag3 Ag1 Ag4 159.399(17) . 3_665
O1 Ag1 Ag1 67.54(8) . 3_665
O6 Ag1 Ag1 118.93(7) . 3_665
Ag3 Ag1 Ag1 117.133(17) . 3_665
Ag4 Ag1 Ag1 61.845(11) 3_665 3_665
O1 Ag1 Ag4 79.10(8) . .
O6 Ag1 Ag4 92.38(7) . .
Ag3 Ag1 Ag4 63.829(13) . .
Ag4 Ag1 Ag4 119.104(13) 3_665 .
Ag1 Ag1 Ag4 57.259(14) 3_665 .
O1 Ag1 Ag2 96.09(8) . 3_765
O6 Ag1 Ag2 78.29(7) . 3_765
Ag3 Ag1 Ag2 63.352(11) . 3_765
Ag4 Ag1 Ag2 111.061(15) 3_665 3_765
Ag1 Ag1 Ag2 162.758(19) 3_665 3_765
Ag4 Ag1 Ag2 127.131(14) . 3_765
O1 Ag1 Ag2 141.67(7) . .
O6 Ag1 Ag2 51.07(7) . .
Ag3 Ag1 Ag2 121.007(14) . .
Ag4 Ag1 Ag2 72.123(13) 3_665 .
Ag1 Ag1 Ag2 116.300(17) 3_665 .
Ag4 Ag1 Ag2 137.048(16) . .
Ag2 Ag1 Ag2 72.833(14) 3_765 .
OW1 Ag2 O5 157.20(11) . 3_765
OW1 Ag2 O3 117.38(11) . 3_665
O5 Ag2 O3 76.15(9) 3_765 3_665
OW1 Ag2 O6 103.74(11) . .
O5 Ag2 O6 95.61(10) 3_765 .
O3 Ag2 O6 83.96(8) 3_665 .
OW1 Ag2 Ag3 98.32(10) . 1_554
O5 Ag2 Ag3 73.04(8) 3_765 1_554
O3 Ag2 Ag3 56.82(7) 3_665 1_554
O6 Ag2 Ag3 140.59(5) . 1_554
OW1 Ag2 Ag1 81.98(9) . 3_765
O5 Ag2 Ag1 82.28(7) 3_765 3_765
O3 Ag2 Ag1 158.10(6) 3_665 3_765
O6 Ag2 Ag1 102.07(5) . 3_765
Ag3 Ag2 Ag1 113.131(14) 1_554 3_765
OW1 Ag2 Ag1 143.96(9) . .
O5 Ag2 Ag1 57.40(7) 3_765 .
O3 Ag2 Ag1 63.93(7) 3_665 .
O6 Ag2 Ag1 40.67(6) . .
Ag3 Ag2 Ag1 108.964(14) 1_554 .
Ag1 Ag2 Ag1 107.167(14) 3_765 .
OW1 Ag2 Ag3 74.35(9) . 3_765
O5 Ag2 Ag3 83.17(7) 3_765 3_765
O3 Ag2 Ag3 116.98(7) 3_665 3_765
O6 Ag2 Ag3 157.75(5) . 3_765
Ag3 Ag2 Ag3 60.264(13) 1_554 3_765
Ag1 Ag2 Ag3 55.694(12) 3_765 3_765
Ag1 Ag2 Ag3 139.890(16) . 3_765
O4 Ag3 O2 166.10(9) . .
O4 Ag3 Ag1 83.52(7) . .
O2 Ag3 Ag1 82.59(6) . .
O4 Ag3 Ag2 79.86(7) . 1_556
O2 Ag3 Ag2 114.01(6) . 1_556
Ag1 Ag3 Ag2 162.257(16) . 1_556
O4 Ag3 Ag3 64.45(9) . 3_766
O2 Ag3 Ag3 121.46(7) . 3_766
Ag1 Ag3 Ag3 114.619(16) . 3_766
Ag2 Ag3 Ag3 63.160(11) 1_556 3_766
O4 Ag3 Ag2 75.22(8) . 3_765
O2 Ag3 Ag2 97.31(7) . 3_765
Ag1 Ag3 Ag2 60.955(13) . 3_765
Ag2 Ag3 Ag2 119.736(13) 1_556 3_765
Ag3 Ag3 Ag2 56.577(13) 3_766 3_765
O4 Ag3 Ag4 96.22(9) . .
O2 Ag3 Ag4 77.45(6) . .
Ag1 Ag3 Ag4 60.370(11) . .
Ag2 Ag3 Ag4 115.251(14) 1_556 .
Ag3 Ag3 Ag4 160.663(18) 3_766 .
Ag2 Ag3 Ag4 121.281(14) 3_765 .
OW2 Ag4 O3 160.47(11) . .
OW2 Ag4 O2 107.88(10) . 3_666
O3 Ag4 O2 90.64(10) . 3_666
OW2 Ag4 O5 110.89(11) . 1_455
O3 Ag4 O5 75.66(9) . 1_455
O2 Ag4 O5 86.12(8) 3_666 1_455
OW2 Ag4 Ag1 95.92(9) . 3_665
O3 Ag4 Ag1 71.15(8) . 3_665
O2 Ag4 Ag1 143.43(5) 3_666 3_665
O5 Ag4 Ag1 59.15(6) 1_455 3_665
OW2 Ag4 Ag1 78.46(9) . .
O3 Ag4 Ag1 82.38(7) . .
O2 Ag4 Ag1 149.84(6) 3_666 .
O5 Ag4 Ag1 119.92(6) 1_455 .
Ag1 Ag4 Ag1 60.896(13) 3_665 .
OW2 Ag4 Ag3 91.23(9) . .
O3 Ag4 Ag3 81.04(6) . .
O2 Ag4 Ag3 94.18(5) 3_666 .
O5 Ag4 Ag3 156.70(6) 1_455 .
Ag1 Ag4 Ag3 113.051(14) 3_665 .
Ag1 Ag4 Ag3 55.801(12) . .
O1 P1 O3 113.41(17) . .
O1 P1 O2 111.23(15) . .
O3 P1 O2 111.92(16) . .
O1 P1 C1 106.16(16) . .
O3 P1 C1 107.02(16) . .
O2 P1 C1 106.61(15) . .
O4 P2 O5 112.55(18) . .
O4 P2 O6 112.90(16) . .
O5 P2 O6 111.68(16) . .
O4 P2 C7 105.76(16) . .
O5 P2 C7 107.31(15) . .
O6 P2 C7 106.07(16) . .
P1 O1 Ag1 118.84(15) . .
P1 O2 Ag3 118.49(14) . .
P1 O2 Ag4 115.52(13) . 3_666
Ag3 O2 Ag4 92.58(9) . 3_666
P1 O3 Ag4 114.03(14) . .
P1 O3 Ag2 131.05(15) . 3_665
Ag4 O3 Ag2 104.48(10) . 3_665
P2 O4 Ag3 119.67(15) . .
P2 O5 Ag2 111.81(14) . 3_765
P2 O5 Ag4 131.35(15) . 1_655
Ag2 O5 Ag4 103.67(10) 3_765 1_655
P2 O6 Ag1 118.75(15) . .
P2 O6 Ag2 108.44(13) . .
Ag1 O6 Ag2 88.25(9) . .
C2 C1 C6 117.6(4) . .
C2 C1 P1 121.0(3) . .
C6 C1 P1 121.4(3) . .
C3 C2 C1 121.3(4) . .
C2 C3 C4 119.6(4) . .
C5 C4 C3 119.9(4) . .
C4 C5 C6 120.8(4) . .
C5 C6 C1 120.8(4) . .
C8 C7 C11 118.6(4) . .
C8 C7 P2 121.7(3) . .
C11 C7 P2 119.7(3) . .
C9 C8 C7 120.4(4) . .
C10 C9 C8 120.4(4) . .
C9 C10 C12 119.9(4) . .
C12 C11 C7 120.2(4) . .
C10 C12 C11 120.5(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 O1 2.159(3) .
Ag1 O6 2.167(3) .
Ag1 Ag3 3.0871(6) .
Ag1 Ag4 3.0952(5) 3_665
Ag1 Ag1 3.2152(7) 3_665
Ag1 Ag4 3.2444(5) .
Ag1 Ag2 3.2673(6) 3_765
Ag1 Ag2 3.3231(5) .
Ag2 OW1 2.191(3) .
Ag2 O5 2.231(3) 3_765
Ag2 O3 2.548(2) 3_665
Ag2 O6 2.586(3) .
Ag2 Ag3 3.1245(5) 1_554
Ag2 Ag1 3.2673(6) 3_765
Ag2 Ag3 3.3403(5) 3_765
Ag3 O4 2.161(3) .
Ag3 O2 2.185(2) .
Ag3 Ag2 3.1245(5) 1_556
Ag3 Ag3 3.2506(7) 3_766
Ag3 Ag2 3.3403(5) 3_765
Ag3 Ag4 3.3498(6) .
Ag4 OW2 2.184(3) .
Ag4 O3 2.230(3) .
Ag4 O2 2.498(2) 3_666
Ag4 O5 2.573(3) 1_455
Ag4 Ag1 3.0952(5) 3_665
P1 O1 1.521(3) .
P1 O3 1.522(3) .
P1 O2 1.531(2) .
P1 C1 1.812(4) .
P2 O4 1.521(3) .
P2 O5 1.527(3) .
P2 O6 1.530(2) .
P2 C7 1.810(4) .
O2 Ag4 2.498(2) 3_666
O3 Ag2 2.548(2) 3_665
O5 Ag2 2.231(3) 3_765
O5 Ag4 2.573(3) 1_655
C1 C2 1.389(5) .
C1 C6 1.392(5) .
C2 C3 1.381(6) .
C3 C4 1.385(7) .
C4 C5 1.354(7) .
C5 C6 1.379(6) .
C7 C8 1.393(5) .
C7 C11 1.401(5) .
C8 C9 1.386(6) .
C9 C10 1.376(7) .
C10 C12 1.377(7) .
C11 C12 1.385(6) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O1 Ag1 Ag2 OW1 178.0(2) . .
O6 Ag1 Ag2 OW1 11.52(18) . .
Ag3 Ag1 Ag2 OW1 57.33(17) . .
Ag4 Ag1 Ag2 OW1 -140.18(16) 3_665 .
Ag1 Ag1 Ag2 OW1 -95.61(16) 3_665 .
Ag4 Ag1 Ag2 OW1 -26.37(17) . .
Ag2 Ag1 Ag2 OW1 100.16(16) 3_765 .
O1 Ag1 Ag2 O5 9.17(15) . 3_765
O6 Ag1 Ag2 O5 -157.27(12) . 3_765
Ag3 Ag1 Ag2 O5 -111.45(8) . 3_765
Ag4 Ag1 Ag2 O5 51.04(8) 3_665 3_765
Ag1 Ag1 Ag2 O5 95.61(8) 3_665 3_765
Ag4 Ag1 Ag2 O5 164.84(8) . 3_765
Ag2 Ag1 Ag2 O5 -68.62(8) 3_765 3_765
O1 Ag1 Ag2 O3 -80.64(14) . 3_665
O6 Ag1 Ag2 O3 112.92(11) . 3_665
Ag3 Ag1 Ag2 O3 158.74(7) . 3_665
Ag4 Ag1 Ag2 O3 -38.77(7) 3_665 3_665
Ag1 Ag1 Ag2 O3 5.80(7) 3_665 3_665
Ag4 Ag1 Ag2 O3 75.03(7) . 3_665
Ag2 Ag1 Ag2 O3 -158.43(7) 3_765 3_665
O1 Ag1 Ag2 O6 166.44(15) . .
Ag3 Ag1 Ag2 O6 45.82(9) . .
Ag4 Ag1 Ag2 O6 -151.69(9) 3_665 .
Ag1 Ag1 Ag2 O6 -107.13(9) 3_665 .
Ag4 Ag1 Ag2 O6 -37.89(9) . .
Ag2 Ag1 Ag2 O6 88.65(9) 3_765 .
O1 Ag1 Ag2 Ag3 -44.96(13) . 1_554
O6 Ag1 Ag2 Ag3 148.61(9) . 1_554
Ag3 Ag1 Ag2 Ag3 -165.58(2) . 1_554
Ag4 Ag1 Ag2 Ag3 -3.086(12) 3_665 1_554
Ag1 Ag1 Ag2 Ag3 41.48(2) 3_665 1_554
Ag4 Ag1 Ag2 Ag3 110.72(2) . 1_554
Ag2 Ag1 Ag2 Ag3 -122.745(18) 3_765 1_554
O1 Ag1 Ag2 Ag1 77.79(13) . 3_765
O6 Ag1 Ag2 Ag1 -88.65(8) . 3_765
Ag3 Ag1 Ag2 Ag1 -42.831(18) . 3_765
Ag4 Ag1 Ag2 Ag1 119.659(17) 3_665 3_765
Ag1 Ag1 Ag2 Ag1 164.22(2) 3_665 3_765
Ag4 Ag1 Ag2 Ag1 -126.539(19) . 3_765
Ag2 Ag1 Ag2 Ag1 0.0 3_765 3_765
O1 Ag1 Ag2 Ag3 21.08(13) . 3_765
O6 Ag1 Ag2 Ag3 -145.36(9) . 3_765
Ag3 Ag1 Ag2 Ag3 -99.54(2) . 3_765
Ag4 Ag1 Ag2 Ag3 62.95(2) 3_665 3_765
Ag1 Ag1 Ag2 Ag3 107.52(2) 3_665 3_765
Ag4 Ag1 Ag2 Ag3 176.753(14) . 3_765
Ag2 Ag1 Ag2 Ag3 -56.708(18) 3_765 3_765
O1 Ag1 Ag3 O4 -177.46(10) . .
O6 Ag1 Ag3 O4 4.25(11) . .
Ag4 Ag1 Ag3 O4 -155.57(9) 3_665 .
Ag1 Ag1 Ag3 O4 122.68(9) 3_665 .
Ag4 Ag1 Ag3 O4 100.96(9) . .
Ag2 Ag1 Ag3 O4 -76.66(9) 3_765 .
Ag2 Ag1 Ag3 O4 -30.05(9) . .
O1 Ag1 Ag3 O2 1.85(11) . .
O6 Ag1 Ag3 O2 -176.44(9) . .
Ag4 Ag1 Ag3 O2 23.73(8) 3_665 .
Ag1 Ag1 Ag3 O2 -58.01(7) 3_665 .
Ag4 Ag1 Ag3 O2 -79.73(7) . .
Ag2 Ag1 Ag3 O2 102.65(7) 3_765 .
Ag2 Ag1 Ag3 O2 149.26(7) . .
O1 Ag1 Ag3 Ag2 161.95(9) . 1_556
O6 Ag1 Ag3 Ag2 -16.33(9) . 1_556
Ag4 Ag1 Ag3 Ag2 -176.16(3) 3_665 1_556
Ag1 Ag1 Ag3 Ag2 102.10(5) 3_665 1_556
Ag4 Ag1 Ag3 Ag2 80.37(5) . 1_556
Ag2 Ag1 Ag3 Ag2 -97.25(5) 3_765 1_556
Ag2 Ag1 Ag3 Ag2 -50.63(6) . 1_556
O1 Ag1 Ag3 Ag3 -119.44(8) . 3_766
O6 Ag1 Ag3 Ag3 62.27(7) . 3_766
Ag4 Ag1 Ag3 Ag3 -97.55(4) 3_665 3_766
Ag1 Ag1 Ag3 Ag3 -179.297(17) 3_665 3_766
Ag4 Ag1 Ag3 Ag3 158.98(2) . 3_766
Ag2 Ag1 Ag3 Ag3 -18.641(18) 3_765 3_766
Ag2 Ag1 Ag3 Ag3 27.97(3) . 3_766
O1 Ag1 Ag3 Ag2 -100.80(8) . 3_765
O6 Ag1 Ag3 Ag2 80.91(7) . 3_765
Ag4 Ag1 Ag3 Ag2 -78.91(4) 3_665 3_765
Ag1 Ag1 Ag3 Ag2 -160.66(2) 3_665 3_765
Ag4 Ag1 Ag3 Ag2 177.620(11) . 3_765
Ag2 Ag1 Ag3 Ag2 46.614(19) . 3_765
O1 Ag1 Ag3 Ag4 81.58(8) . .
O6 Ag1 Ag3 Ag4 -96.71(7) . .
Ag4 Ag1 Ag3 Ag4 103.47(4) 3_665 .
Ag1 Ag1 Ag3 Ag4 21.724(19) 3_665 .
Ag2 Ag1 Ag3 Ag4 -177.620(11) 3_765 .
Ag2 Ag1 Ag3 Ag4 -131.01(2) . .
O1 Ag1 Ag4 OW2 173.74(11) . .
O6 Ag1 Ag4 OW2 -19.74(11) . .
Ag3 Ag1 Ag4 OW2 -99.51(9) . .
Ag4 Ag1 Ag4 OW2 103.55(9) 3_665 .
Ag1 Ag1 Ag4 OW2 103.55(9) 3_665 .
Ag2 Ag1 Ag4 OW2 -96.84(9) 3_765 .
Ag2 Ag1 Ag4 OW2 8.82(9) . .
O1 Ag1 Ag4 O3 -2.43(10) . .
O6 Ag1 Ag4 O3 164.08(10) . .
Ag3 Ag1 Ag4 O3 84.31(7) . .
Ag4 Ag1 Ag4 O3 -72.63(7) 3_665 .
Ag1 Ag1 Ag4 O3 -72.63(7) 3_665 .
Ag2 Ag1 Ag4 O3 86.98(7) 3_765 .
Ag2 Ag1 Ag4 O3 -167.36(7) . .
O1 Ag1 Ag4 O2 -80.45(14) . 3_666
O6 Ag1 Ag4 O2 86.06(13) . 3_666
Ag3 Ag1 Ag4 O2 6.30(12) . 3_666
Ag4 Ag1 Ag4 O2 -150.65(12) 3_665 3_666
Ag1 Ag1 Ag4 O2 -150.65(12) 3_665 3_666
Ag2 Ag1 Ag4 O2 8.97(12) 3_765 3_666
Ag2 Ag1 Ag4 O2 114.63(12) . 3_666
O1 Ag1 Ag4 O5 66.15(10) . 1_455
O6 Ag1 Ag4 O5 -127.34(10) . 1_455
Ag3 Ag1 Ag4 O5 152.90(7) . 1_455
Ag4 Ag1 Ag4 O5 -4.05(7) 3_665 1_455
Ag1 Ag1 Ag4 O5 -4.05(7) 3_665 1_455
Ag2 Ag1 Ag4 O5 155.57(7) 3_765 1_455
Ag2 Ag1 Ag4 O5 -98.77(7) . 1_455
O1 Ag1 Ag4 Ag1 70.20(7) . 3_665
O6 Ag1 Ag4 Ag1 -123.29(7) . 3_665
Ag3 Ag1 Ag4 Ag1 156.944(19) . 3_665
Ag4 Ag1 Ag4 Ag1 0.0 3_665 3_665
Ag2 Ag1 Ag4 Ag1 159.61(2) 3_765 3_665
Ag2 Ag1 Ag4 Ag1 -94.72(2) . 3_665
O1 Ag1 Ag4 Ag3 -86.75(7) . .
O6 Ag1 Ag4 Ag3 79.77(7) . .
Ag4 Ag1 Ag4 Ag3 -156.944(19) 3_665 .
Ag1 Ag1 Ag4 Ag3 -156.944(19) 3_665 .
Ag2 Ag1 Ag4 Ag3 2.669(12) 3_765 .
Ag2 Ag1 Ag4 Ag3 108.331(19) . .
O4 Ag3 Ag4 OW2 -3.76(11) . .
O2 Ag3 Ag4 OW2 163.69(11) . .
Ag1 Ag3 Ag4 OW2 75.14(9) . .
Ag2 Ag3 Ag4 OW2 -85.46(9) 1_556 .
Ag3 Ag3 Ag4 OW2 -4.88(10) 3_766 .
Ag2 Ag3 Ag4 OW2 72.70(9) 3_765 .
O4 Ag3 Ag4 O3 -165.73(11) . .
O2 Ag3 Ag4 O3 1.71(10) . .
Ag1 Ag3 Ag4 O3 -86.84(8) . .
Ag2 Ag3 Ag4 O3 112.56(8) 1_556 .
Ag3 Ag3 Ag4 O3 -166.85(9) 3_766 .
Ag2 Ag3 Ag4 O3 -89.28(8) 3_765 .
O4 Ag3 Ag4 O2 104.27(9) . 3_666
O2 Ag3 Ag4 O2 -88.28(9) . 3_666
Ag1 Ag3 Ag4 O2 -176.83(6) . 3_666
Ag2 Ag3 Ag4 O2 22.57(6) 1_556 3_666
Ag3 Ag3 Ag4 O2 103.16(8) 3_766 3_666
Ag2 Ag3 Ag4 O2 -179.27(6) 3_765 3_666
O4 Ag3 Ag4 O5 -165.82(18) . 1_455
O2 Ag3 Ag4 O5 1.62(18) . 1_455
Ag1 Ag3 Ag4 O5 -86.93(17) . 1_455
Ag2 Ag3 Ag4 O5 112.47(17) 1_556 1_455
Ag3 Ag3 Ag4 O5 -166.94(17) 3_766 1_455
Ag2 Ag3 Ag4 O5 -89.36(17) 3_765 1_455
O4 Ag3 Ag4 Ag1 -100.73(7) . 3_665
O2 Ag3 Ag4 Ag1 66.72(7) . 3_665
Ag1 Ag3 Ag4 Ag1 -21.831(17) . 3_665
Ag2 Ag3 Ag4 Ag1 177.571(11) 1_556 3_665
Ag3 Ag3 Ag4 Ag1 -101.84(5) 3_766 3_665
Ag2 Ag3 Ag4 Ag1 -24.266(19) 3_765 3_665
O4 Ag3 Ag4 Ag1 -78.89(7) . .
O2 Ag3 Ag4 Ag1 88.55(7) . .
Ag2 Ag3 Ag4 Ag1 -160.598(17) 1_556 .
Ag3 Ag3 Ag4 Ag1 -80.01(5) 3_766 .
Ag2 Ag3 Ag4 Ag1 -2.435(11) 3_765 .
O3 P1 O1 Ag1 -68.0(2) . .
O2 P1 O1 Ag1 59.2(2) . .
C1 P1 O1 Ag1 174.79(16) . .
O6 Ag1 O1 P1 -24.8(5) . .
Ag3 Ag1 O1 P1 -31.06(17) . .
Ag4 Ag1 O1 P1 156.64(19) 3_665 .
Ag1 Ag1 O1 P1 92.56(19) 3_665 .
Ag4 Ag1 O1 P1 33.65(17) . .
Ag2 Ag1 O1 P1 -93.05(18) 3_765 .
Ag2 Ag1 O1 P1 -162.96(9) . .
O1 P1 O2 Ag3 -56.0(2) . .
O3 P1 O2 Ag3 71.96(19) . .
C1 P1 O2 Ag3 -171.34(15) . .
O1 P1 O2 Ag4 -164.45(15) . 3_666
O3 P1 O2 Ag4 -36.5(2) . 3_666
C1 P1 O2 Ag4 80.24(18) . 3_666
O4 Ag3 O2 P1 29.3(5) . .
Ag1 Ag3 O2 P1 26.47(14) . .
Ag2 Ag3 O2 P1 -147.01(13) 1_556 .
Ag3 Ag3 O2 P1 140.87(12) 3_766 .
Ag2 Ag3 O2 P1 85.79(15) 3_765 .
Ag4 Ag3 O2 P1 -34.72(14) . .
O4 Ag3 O2 Ag4 150.3(4) . 3_666
Ag1 Ag3 O2 Ag4 147.48(7) . 3_666
Ag2 Ag3 O2 Ag4 -26.00(9) 1_556 3_666
Ag3 Ag3 O2 Ag4 -98.13(7) 3_766 3_666
Ag2 Ag3 O2 Ag4 -153.20(5) 3_765 3_666
Ag4 Ag3 O2 Ag4 86.29(6) . 3_666
O1 P1 O3 Ag4 60.9(2) . .
O2 P1 O3 Ag4 -65.94(19) . .
C1 P1 O3 Ag4 177.61(15) . .
O1 P1 O3 Ag2 -77.8(2) . 3_665
O2 P1 O3 Ag2 155.36(18) . 3_665
C1 P1 O3 Ag2 38.9(2) . 3_665
OW2 Ag4 O3 P1 -38.0(4) . .
O2 Ag4 O3 P1 123.80(16) 3_666 .
O5 Ag4 O3 P1 -150.4(2) 1_455 .
Ag1 Ag4 O3 P1 -88.54(16) 3_665 .
Ag1 Ag4 O3 P1 -26.76(15) . .
Ag3 Ag4 O3 P1 29.66(15) . .
OW2 Ag4 O3 Ag2 111.0(3) . 3_665
O2 Ag4 O3 Ag2 -87.13(10) 3_666 3_665
O5 Ag4 O3 Ag2 -1.31(8) 1_455 3_665
Ag1 Ag4 O3 Ag2 60.52(8) 3_665 3_665
Ag1 Ag4 O3 Ag2 122.30(10) . 3_665
Ag3 Ag4 O3 Ag2 178.73(10) . 3_665
O5 P2 O4 Ag3 76.5(2) . .
O6 P2 O4 Ag3 -51.1(2) . .
C7 P2 O4 Ag3 -166.66(17) . .
O2 Ag3 O4 P2 19.3(6) . .
Ag1 Ag3 O4 P2 22.11(18) . .
Ag2 Ag3 O4 P2 -164.1(2) 1_556 .
Ag3 Ag3 O4 P2 -99.2(2) 3_766 .
Ag2 Ag3 O4 P2 -39.50(18) 3_765 .
Ag4 Ag3 O4 P2 81.3(2) . .
O4 P2 O5 Ag2 -61.69(19) . 3_765
O6 P2 O5 Ag2 66.52(19) . 3_765
C7 P2 O5 Ag2 -177.64(14) . 3_765
O4 P2 O5 Ag4 72.0(2) . 1_655
O6 P2 O5 Ag4 -159.75(18) . 1_655
C7 P2 O5 Ag4 -43.9(2) . 1_655
O4 P2 O6 Ag1 57.1(2) . .
O5 P2 O6 Ag1 -70.9(2) . .
C7 P2 O6 Ag1 172.49(15) . .
O4 P2 O6 Ag2 155.53(15) . .
O5 P2 O6 Ag2 27.51(19) . .
C7 P2 O6 Ag2 -89.09(16) . .
O1 Ag1 O6 P2 -37.7(5) . .
Ag3 Ag1 O6 P2 -31.49(15) . .
Ag4 Ag1 O6 P2 140.66(13) 3_665 .
Ag1 Ag1 O6 P2 -148.08(13) 3_665 .
Ag4 Ag1 O6 P2 -94.63(16) . .
Ag2 Ag1 O6 P2 32.84(15) 3_765 .
Ag2 Ag1 O6 P2 110.13(18) . .
O1 Ag1 O6 Ag2 -147.8(4) . .
Ag3 Ag1 O6 Ag2 -141.62(6) . .
Ag4 Ag1 O6 Ag2 30.53(9) 3_665 .
Ag1 Ag1 O6 Ag2 101.79(6) 3_665 .
Ag4 Ag1 O6 Ag2 155.24(5) . .
Ag2 Ag1 O6 Ag2 -77.29(5) 3_765 .
OW1 Ag2 O6 P2 67.14(17) . .
O5 Ag2 O6 P2 -100.72(14) 3_765 .
O3 Ag2 O6 P2 -176.11(15) 3_665 .
Ag3 Ag2 O6 P2 -170.70(7) 1_554 .
Ag1 Ag2 O6 P2 -17.44(15) 3_765 .
Ag1 Ag2 O6 P2 -119.81(18) . .
Ag3 Ag2 O6 P2 -15.1(3) 3_765 .
OW1 Ag2 O6 Ag1 -173.06(11) . .
O5 Ag2 O6 Ag1 19.09(10) 3_765 .
O3 Ag2 O6 Ag1 -56.30(9) 3_665 .
Ag3 Ag2 O6 Ag1 -50.89(13) 1_554 .
Ag1 Ag2 O6 Ag1 102.37(6) 3_765 .
Ag3 Ag2 O6 Ag1 104.76(14) 3_765 .
O1 P1 C1 C2 153.8(3) . .
O3 P1 C1 C2 32.4(3) . .
O2 P1 C1 C2 -87.5(3) . .
O1 P1 C1 C6 -27.0(3) . .
O3 P1 C1 C6 -148.4(3) . .
O2 P1 C1 C6 91.6(3) . .
C6 C1 C2 C3 0.3(6) . .
P1 C1 C2 C3 179.6(3) . .
C1 C2 C3 C4 0.1(7) . .
C2 C3 C4 C5 -0.4(8) . .
C3 C4 C5 C6 0.3(8) . .
C4 C5 C6 C1 0.2(7) . .
C2 C1 C6 C5 -0.5(6) . .
P1 C1 C6 C5 -179.7(3) . .
O4 P2 C7 C8 125.8(3) . .
O5 P2 C7 C8 -113.9(3) . .
O6 P2 C7 C8 5.6(3) . .
O4 P2 C7 C11 -55.5(3) . .
O5 P2 C7 C11 64.8(3) . .
O6 P2 C7 C11 -175.6(3) . .
C11 C7 C8 C9 -1.6(6) . .
P2 C7 C8 C9 177.1(3) . .
C7 C8 C9 C10 2.0(7) . .
C8 C9 C10 C12 -0.7(8) . .
C8 C7 C11 C12 0.1(6) . .
P2 C7 C11 C12 -178.7(3) . .
C9 C10 C12 C11 -0.9(8) . .
C7 C11 C12 C10 1.2(7) . .
