#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/85/4308555.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_4308555
loop_
_publ_author_name
'Rodney P. Feazell'
'Cody E. Carson'
'Kevin K. Klausmeyer'
_publ_section_title
;
Anion-Dependent Silver(I) Coordination Polymers of the Tridentate
Pyridylphosphonite: PPh(3-OCH2C5H4N)2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              996
_journal_page_last               1005
_journal_paper_doi               10.1021/ic0486365
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C42 H39 Ag2 F6 N4 O8.5 P2'
_chemical_formula_weight         1127.45
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 95.636(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.3430(13)
_cell_length_b                   31.912(5)
_cell_length_c                   15.157(3)
_cell_measurement_reflns_used    4287
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.91
_cell_measurement_theta_min      2.34
_cell_volume                     4497.3(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0809
_diffrn_reflns_av_sigmaI/netI    0.0691
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            38630
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.28
_exptl_absorpt_coefficient_mu    1.024
_exptl_absorpt_correction_T_max  0.9346
_exptl_absorpt_correction_T_min  0.9037
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.665
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2260
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.060
_refine_diff_density_min         -0.939
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     601
_refine_ls_number_reflns         8838
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0797
_refine_ls_R_factor_gt           0.0497
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0428P)²+13.9614P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1073
_refine_ls_wR_factor_ref         0.1204
_reflns_number_gt                6393
_reflns_number_total             8838
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0486365si20040928_045440_1.cif
_cod_data_source_block           kk31u
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        4497.2(12)
_cod_original_formula_sum        'C42 H39 Ag2 F6 N4 O8.50 P2'
_cod_database_code               4308555
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C21 C 1.4611(6) 0.74674(16) 0.3188(4) 0.0303(12) Uani 1 1 d . . .
H21A H 1.4959 0.7304 0.2696 0.036 Uiso 1 1 calc R . .
H21B H 1.4396 0.7270 0.3661 0.036 Uiso 1 1 calc R . .
Ag1 Ag 0.81499(5) 0.493862(12) 0.42963(3) 0.03026(12) Uani 1 1 d . . .
Ag2 Ag 1.27397(4) 0.693872(11) 0.13369(2) 0.02251(11) Uani 1 1 d . . .
N1 N 1.2111(5) 0.62419(12) 0.1634(3) 0.0261(10) Uani 1 1 d . B .
N2 N 0.2515(5) 0.55858(12) 0.4790(3) 0.0262(10) Uani 1 1 d . . .
N3 N 1.7128(4) 0.80653(12) 0.4814(3) 0.0243(9) Uani 1 1 d . . .
N4 N 0.7324(5) 0.67664(15) 0.3894(3) 0.0403(12) Uani 1 1 d . . .
O1 O 0.8216(4) 0.54460(11) 0.2350(2) 0.0332(9) Uani 1 1 d . B .
O2 O 0.5768(4) 0.54954(11) 0.2980(2) 0.0334(9) Uani 1 1 d . B .
O3 O 0.9331(4) 0.53411(11) 0.5479(3) 0.0343(9) Uani 1 1 d . . .
O4 O 0.7143(5) 0.54825(14) 0.5896(3) 0.0487(11) Uani 1 1 d . A .
O5 O 1.3314(4) 0.77023(10) 0.2870(2) 0.0272(8) Uani 1 1 d . . .
O6 O 1.1138(4) 0.72265(10) 0.3039(2) 0.0266(8) Uani 1 1 d . . .
O7 O 1.4980(4) 0.66715(12) 0.1040(3) 0.0378(10) Uani 1 1 d . . .
O8 O 1.6474(4) 0.72136(12) 0.1388(3) 0.0402(10) Uani 1 1 d . . .
P1 P 0.71237(14) 0.51925(4) 0.29160(9) 0.0234(3) Uani 1 1 d . . .
P2 P 1.20420(14) 0.74458(4) 0.23142(9) 0.0218(3) Uani 1 1 d . . .
C1 C 0.9198(7) 0.5740(2) 0.2811(4) 0.0470(17) Uani 1 1 d . . .
H1A H 0.9477 0.5639 0.3421 0.056 Uiso 1 1 calc R B .
H1B H 0.8723 0.6016 0.2848 0.056 Uiso 1 1 calc R . .
C2 C 1.0515(6) 0.57839(16) 0.2322(3) 0.0310(13) Uani 1 1 d . B .
C3 C 1.0913(6) 0.61712(16) 0.2024(3) 0.0288(12) Uani 1 1 d . . .
H3 H 1.0296 0.6402 0.2101 0.035 Uiso 1 1 calc R B .
C4 C 1.2968(6) 0.59181(16) 0.1518(4) 0.0307(13) Uani 1 1 d . . .
H4 H 1.3831 0.5964 0.1249 0.037 Uiso 1 1 calc R B .
C5 C 1.2639(6) 0.55138(17) 0.1781(4) 0.0394(15) Uani 1 1 d . B .
H5 H 1.3263 0.5287 0.1683 0.047 Uiso 1 1 calc R . .
C6 C 1.1400(7) 0.54467(17) 0.2182(4) 0.0402(15) Uani 1 1 d . . .
H6 H 1.1153 0.5173 0.2360 0.048 Uiso 1 1 calc R B .
C7 C 0.5862(6) 0.58161(16) 0.3659(4) 0.0335(13) Uani 1 1 d . . .
H7A H 0.6191 0.6083 0.3416 0.040 Uiso 1 1 calc R B .
H7B H 0.6562 0.5732 0.4161 0.040 Uiso 1 1 calc R . .
C8 C 0.4374(6) 0.58717(15) 0.3977(3) 0.0257(11) Uani 1 1 d . B .
C9 C 0.3785(6) 0.55621(15) 0.4475(4) 0.0286(12) Uani 1 1 d . . .
H9A H 0.4335 0.5315 0.4600 0.034 Uiso 1 1 calc R B .
C10 C 0.1736(6) 0.59398(15) 0.4619(4) 0.0271(12) Uani 1 1 d . . .
H10 H 0.0826 0.5966 0.4844 0.033 Uiso 1 1 calc R B .
C11 C 0.2231(6) 0.62634(16) 0.4127(4) 0.0334(13) Uani 1 1 d . B .
H11 H 0.1664 0.6508 0.4012 0.040 Uiso 1 1 calc R . .
C12 C 0.3558(6) 0.62281(16) 0.3804(4) 0.0323(13) Uani 1 1 d . . .
H12 H 0.3908 0.6449 0.3463 0.039 Uiso 1 1 calc R B .
C27 C 1.0514(6) 0.74694(16) 0.3718(4) 0.0342(13) Uani 1 1 d . . .
H27A H 1.0047 0.7724 0.3453 0.041 Uiso 1 1 calc R . .
H27B H 1.1275 0.7556 0.4182 0.041 Uiso 1 1 calc R . .
C28 C 0.9430(6) 0.72031(15) 0.4114(3) 0.0245(11) Uani 1 1 d . . .
C29 C 0.8329(6) 0.70122(17) 0.3593(4) 0.0342(13) Uani 1 1 d . . .
H29 H 0.8278 0.7059 0.2972 0.041 Uiso 1 1 calc R . .
C30 C 0.7445(7) 0.67098(18) 0.4777(4) 0.0407(15) Uani 1 1 d . . .
H30 H 0.6752 0.6536 0.5015 0.049 Uiso 1 1 calc R . .
C31 C 0.8497(7) 0.68847(17) 0.5361(4) 0.0382(14) Uani 1 1 d . . .
H31 H 0.8527 0.6833 0.5980 0.046 Uiso 1 1 calc R . .
C32 C 0.9511(6) 0.71384(16) 0.5022(4) 0.0304(12) Uani 1 1 d . . .
H32 H 1.0251 0.7266 0.5405 0.036 Uiso 1 1 calc R . .
C33 C 1.0909(5) 0.78832(15) 0.1919(3) 0.0227(11) Uani 1 1 d . . .
C34 C 1.1347(6) 0.83009(15) 0.2033(3) 0.0247(11) Uani 1 1 d . . .
H34 H 1.2242 0.8367 0.2357 0.030 Uiso 1 1 calc R . .
C35 C 1.0467(6) 0.86157(16) 0.1670(4) 0.0309(13) Uani 1 1 d . . .
H35 H 1.0771 0.8899 0.1731 0.037 Uiso 1 1 calc R . .
C36 C 0.9151(6) 0.85235(16) 0.1221(4) 0.0302(13) Uani 1 1 d . . .
H36 H 0.8549 0.8744 0.0982 0.036 Uiso 1 1 calc R . .
C37 C 0.8702(6) 0.81112(18) 0.1117(4) 0.0342(13) Uani 1 1 d . . .
H37 H 0.7789 0.8049 0.0814 0.041 Uiso 1 1 calc R . .
C38 C 0.9583(6) 0.77935(16) 0.1456(3) 0.0288(12) Uani 1 1 d . . .
H38 H 0.9285 0.7510 0.1373 0.035 Uiso 1 1 calc R . .
C19 C 0.8465(6) 0.54932(16) 0.5973(4) 0.0316(13) Uani 1 1 d . . .
C40 C 1.7317(6) 0.66228(18) 0.0647(5) 0.0411(11) Uani 1 1 d . . .
F4 F 1.7483(4) 0.62336(11) 0.0962(3) 0.0611(9) Uani 1 1 d . . .
F5 F 1.6950(5) 0.65792(13) -0.0237(3) 0.0619(10) Uani 1 1 d . . .
F6 F 1.8614(4) 0.67933(12) 0.0766(3) 0.0668(11) Uani 1 1 d . . .
C20 C 0.9193(6) 0.57346(17) 0.6766(4) 0.0411(11) Uani 0.527(10) 1 d PD A 1
F1 F 1.0159(19) 0.5505(6) 0.7264(12) 0.0619(10) Uani 0.527(10) 1 d PD A 1
F2 F 0.9527(11) 0.6106(2) 0.6571(6) 0.0611(9) Uani 0.527(10) 1 d PD A 1
F3 F 0.8206(8) 0.5761(3) 0.7418(7) 0.0668(11) Uani 0.527(10) 1 d PD A 1
C20A C 0.9193(6) 0.57346(17) 0.6766(4) 0.0411(11) Uani 0.473(10) 1 d PD A 2
F1A F 1.0242(13) 0.6030(3) 0.6502(6) 0.0619(10) Uani 0.473(10) 1 d PD A 2
F2A F 0.8476(11) 0.5945(3) 0.7301(7) 0.0611(9) Uani 0.473(10) 1 d PD A 2
F3A F 1.0267(18) 0.5520(6) 0.7230(17) 0.0668(11) Uani 0.473(10) 1 d PD A 2
C39 C 1.6137(6) 0.68643(16) 0.1083(4) 0.0296(12) Uani 1 1 d . . .
C13 C 0.6360(9) 0.4823(2) 0.2109(4) 0.022(4) Uani 0.544(9) 1 d PG B 1
C18 C 0.5051(8) 0.4629(2) 0.2203(5) 0.035(3) Uani 0.544(9) 1 d PG B 1
H18 H 0.4563 0.4683 0.2712 0.042 Uiso 0.544(9) 1 calc PR B 1
C17 C 0.4455(7) 0.4356(2) 0.1552(6) 0.036(4) Uani 0.544(9) 1 d PG B 1
H17 H 0.3561 0.4224 0.1617 0.043 Uiso 0.544(9) 1 calc PR B 1
C16 C 0.5169(9) 0.4277(2) 0.0807(6) 0.042(4) Uani 0.544(9) 1 d PG B 1
H16 H 0.4762 0.4091 0.0362 0.051 Uiso 0.544(9) 1 calc PR B 1
C15 C 0.6478(8) 0.4471(2) 0.0713(4) 0.055(4) Uani 0.544(9) 1 d PG B 1
H15 H 0.6966 0.4417 0.0203 0.066 Uiso 0.544(9) 1 calc PR B 1
C14 C 0.7073(6) 0.4744(2) 0.1363(5) 0.041(3) Uani 0.544(9) 1 d PG B 1
H14 H 0.7968 0.4876 0.1299 0.049 Uiso 0.544(9) 1 calc PR B 1
O9 O 1.0277(15) 0.5156(6) -0.0150(12) 0.084(8) Uani 0.272(4) 1 d PR B 1
C41 C 0.9801(12) 0.4810(5) 0.0207(10) 0.048(7) Uiso 0.272(4) 1 d PR B 1
H41A H 0.8911 0.4715 -0.0145 0.058 Uiso 0.272(4) 1 calc PR B 1
H41B H 0.9562 0.4871 0.0816 0.058 Uiso 0.272(4) 1 calc PR B 1
C42 C 1.0865(12) 0.4477(6) 0.0239(14) 0.054(9) Uiso 0.272(4) 1 d PR B 1
H42A H 1.0482 0.4226 0.0505 0.080 Uiso 0.272(4) 1 calc PR B 1
H42B H 1.1741 0.4568 0.0596 0.080 Uiso 0.272(4) 1 calc PR B 1
H42C H 1.1091 0.4412 -0.0364 0.080 Uiso 0.272(4) 1 calc PR B 1
C43 C 0.9213(17) 0.5489(5) -0.0181(11) 0.026(5) Uiso 0.272(4) 1 d PR B 1
H43A H 0.8881 0.5533 0.0412 0.032 Uiso 0.272(4) 1 calc PR B 1
H43B H 0.8371 0.5417 -0.0603 0.032 Uiso 0.272(4) 1 calc PR B 1
C44 C 1.000(2) 0.5907(6) -0.0507(15) 0.035(5) Uiso 0.272(4) 1 d PR B 1
H44A H 0.9326 0.6142 -0.0539 0.052 Uiso 0.272(4) 1 calc PR B 1
H44B H 1.0327 0.5857 -0.1094 0.052 Uiso 0.272(4) 1 calc PR B 1
H44C H 1.0834 0.5973 -0.0084 0.052 Uiso 0.272(4) 1 calc PR B 1
C13A C 0.6307(11) 0.4886(3) 0.1973(5) 0.021(5) Uani 0.456(9) 1 d PG B 2
C18A C 0.5717(12) 0.4502(3) 0.2175(5) 0.037(4) Uani 0.456(9) 1 d PG B 2
H18A H 0.5771 0.4410 0.2773 0.044 Uiso 0.456(9) 1 calc PR B 2
C17A C 0.5049(12) 0.4254(3) 0.1503(7) 0.042(5) Uani 0.456(9) 1 d PG B 2
H17A H 0.4646 0.3991 0.1641 0.050 Uiso 0.456(9) 1 calc PR B 2
C16A C 0.4971(11) 0.4389(3) 0.0628(6) 0.040(5) Uani 0.456(9) 1 d PG B 2
H16A H 0.4514 0.4219 0.0168 0.048 Uiso 0.456(9) 1 calc PR B 2
C15A C 0.5561(10) 0.4773(3) 0.0425(5) 0.036(3) Uani 0.456(9) 1 d PG B 2
H15A H 0.5507 0.4866 -0.0173 0.043 Uiso 0.456(9) 1 calc PR B 2
C14A C 0.6229(10) 0.5021(2) 0.1098(6) 0.033(3) Uani 0.456(9) 1 d PG B 2
H14A H 0.6632 0.5284 0.0959 0.039 Uiso 0.456(9) 1 calc PR B 2
O9A O 0.991(5) 0.4755(11) 0.027(3) 0.084(8) Uani 0.228(4) 1 d P . 2
C41A C 1.052(3) 0.4357(10) 0.028(2) 0.048(7) Uiso 0.228(4) 1 d P B 2
H41C H 1.0637 0.4297 -0.0349 0.058 Uiso 0.228(4) 1 calc PR B 2
H41D H 1.1503 0.4396 0.0575 0.058 Uiso 0.228(4) 1 calc PR B 2
C42A C 1.016(4) 0.4062(12) 0.054(3) 0.054(9) Uiso 0.228(4) 1 d P B 2
H42D H 1.0874 0.3844 0.0462 0.080 Uiso 0.228(4) 1 calc PR B 2
H42E H 0.9236 0.3982 0.0221 0.080 Uiso 0.228(4) 1 calc PR B 2
H42F H 1.0044 0.4093 0.1173 0.080 Uiso 0.228(4) 1 calc PR B 2
C43A C 1.020(4) 0.5082(12) -0.004(3) 0.026(5) Uiso 0.228(4) 1 d P B 2
H43C H 1.0734 0.5026 -0.0560 0.032 Uiso 0.228(4) 1 calc PR B 2
H43D H 1.0865 0.5232 0.0403 0.032 Uiso 0.228(4) 1 calc PR B 2
C44A C 0.893(3) 0.5376(9) -0.0332(18) 0.035(5) Uiso 0.228(4) 1 d P B 2
H44D H 0.9301 0.5634 -0.0577 0.052 Uiso 0.228(4) 1 calc PR B 2
H44E H 0.8413 0.5444 0.0180 0.052 Uiso 0.228(4) 1 calc PR B 2
H44F H 0.8281 0.5236 -0.0786 0.052 Uiso 0.228(4) 1 calc PR B 2
C23 C 1.6114(5) 0.78056(15) 0.4447(4) 0.0267(12) Uani 1 1 d . . .
H23 H 1.5625 0.7632 0.4829 0.032 Uiso 1 1 calc R . .
C22 C 1.5734(6) 0.77748(16) 0.3540(3) 0.0273(12) Uani 1 1 d . . .
C26 C 1.6432(7) 0.8038(2) 0.2991(4) 0.0430(15) Uani 1 1 d . . .
H26 H 1.6203 0.8029 0.2367 0.052 Uiso 1 1 calc R . .
C25 C 1.7455(7) 0.8310(2) 0.3363(4) 0.0456(16) Uani 1 1 d . . .
H25 H 1.7937 0.8495 0.2999 0.055 Uiso 1 1 calc R . .
C24 C 1.7777(6) 0.83134(18) 0.4267(4) 0.0346(13) Uani 1 1 d . . .
H24 H 1.8497 0.8501 0.4515 0.042 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'
F F 0.0171 0.0103 '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
O5 C21 C22 108.0(4) . . ?
O5 C21 H21A 110.1 . . ?
C22 C21 H21A 110.1 . . ?
O5 C21 H21B 110.1 . . ?
C22 C21 H21B 110.1 . . ?
H21A C21 H21B 108.4 . . ?
N2 Ag1 P1 132.48(11) 3_666 . ?
N2 Ag1 O3 94.10(14) 3_666 . ?
P1 Ag1 O3 126.83(10) . . ?
N2 Ag1 O3 87.96(14) 3_666 3_766 ?
P1 Ag1 O3 122.49(10) . 3_766 ?
O3 Ag1 O3 74.39(13) . 3_766 ?
N3 Ag2 P2 125.37(11) 4_575 . ?
N3 Ag2 O7 86.81(15) 4_575 . ?
P2 Ag2 O7 133.28(10) . . ?
N3 Ag2 N1 98.22(14) 4_575 . ?
P2 Ag2 N1 116.35(11) . . ?
O7 Ag2 N1 86.40(14) . . ?
C4 N1 C3 118.0(4) . . ?
C4 N1 Ag2 123.0(4) . . ?
C3 N1 Ag2 118.7(3) . . ?
C9 N2 C10 117.6(4) . . ?
C9 N2 Ag1 118.7(3) . 3_666 ?
C10 N2 Ag1 123.4(4) . 3_666 ?
C24 N3 C23 117.1(5) . . ?
C24 N3 Ag2 122.6(3) . 4_676 ?
C23 N3 Ag2 120.3(3) . 4_676 ?
C29 N4 C30 115.2(5) . . ?
C1 O1 P1 118.3(3) . . ?
C7 O2 P1 118.4(3) . . ?
C19 O3 Ag1 112.3(4) . . ?
C19 O3 Ag1 135.1(4) . 3_766 ?
Ag1 O3 Ag1 105.61(13) . 3_766 ?
C21 O5 P2 117.1(3) . . ?
C27 O6 P2 121.6(3) . . ?
C39 O7 Ag2 126.9(3) . . ?
O2 P1 O1 105.9(2) . . ?
O2 P1 C13 100.0(3) . . ?
O1 P1 C13 101.4(3) . . ?
O2 P1 C13A 95.6(4) . . ?
O1 P1 C13A 95.1(3) . . ?
C13 P1 C13A 9.1(4) . . ?
O2 P1 Ag1 114.10(15) . . ?
O1 P1 Ag1 114.87(15) . . ?
C13 P1 Ag1 118.6(3) . . ?
C13A P1 Ag1 127.6(3) . . ?
O6 P2 O5 105.8(2) . . ?
O6 P2 C33 103.4(2) . . ?
O5 P2 C33 99.1(2) . . ?
O6 P2 Ag2 109.30(13) . . ?
O5 P2 Ag2 116.58(14) . . ?
C33 P2 Ag2 120.94(17) . . ?
O1 C1 C2 109.6(5) . . ?
O1 C1 H1A 109.7 . . ?
C2 C1 H1A 109.7 . . ?
O1 C1 H1B 109.7 . . ?
C2 C1 H1B 109.7 . . ?
H1A C1 H1B 108.2 . . ?
C3 C2 C6 117.5(5) . . ?
C3 C2 C1 120.4(5) . . ?
C6 C2 C1 122.2(5) . . ?
N1 C3 C2 124.1(5) . . ?
N1 C3 H3 117.9 . . ?
C2 C3 H3 117.9 . . ?
N1 C4 C5 122.0(5) . . ?
N1 C4 H4 119.0 . . ?
C5 C4 H4 119.0 . . ?
C6 C5 C4 119.3(5) . . ?
C6 C5 H5 120.4 . . ?
C4 C5 H5 120.4 . . ?
C5 C6 C2 119.2(5) . . ?
C5 C6 H6 120.4 . . ?
C2 C6 H6 120.4 . . ?
O2 C7 C8 108.2(4) . . ?
O2 C7 H7A 110.1 . . ?
C8 C7 H7A 110.1 . . ?
O2 C7 H7B 110.1 . . ?
C8 C7 H7B 110.1 . . ?
H7A C7 H7B 108.4 . . ?
C12 C8 C9 116.6(5) . . ?
C12 C8 C7 122.6(5) . . ?
C9 C8 C7 120.7(5) . . ?
N2 C9 C8 124.9(5) . . ?
N2 C9 H9A 117.6 . . ?
C8 C9 H9A 117.6 . . ?
N2 C10 C11 121.7(5) . . ?
N2 C10 H10 119.2 . . ?
C11 C10 H10 119.2 . . ?
C10 C11 C12 119.4(5) . . ?
C10 C11 H11 120.3 . . ?
C12 C11 H11 120.3 . . ?
C8 C12 C11 119.9(5) . . ?
C8 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
O6 C27 C28 108.4(4) . . ?
O6 C27 H27A 110.0 . . ?
C28 C27 H27A 110.0 . . ?
O6 C27 H27B 110.0 . . ?
C28 C27 H27B 110.0 . . ?
H27A C27 H27B 108.4 . . ?
C29 C28 C32 118.0(5) . . ?
C29 C28 C27 121.3(5) . . ?
C32 C28 C27 120.7(5) . . ?
N4 C29 C28 125.0(5) . . ?
N4 C29 H29 117.5 . . ?
C28 C29 H29 117.5 . . ?
N4 C30 C31 124.8(6) . . ?
N4 C30 H30 117.6 . . ?
C31 C30 H30 117.6 . . ?
C30 C31 C32 118.1(6) . . ?
C30 C31 H31 121.0 . . ?
C32 C31 H31 121.0 . . ?
C31 C32 C28 118.9(5) . . ?
C31 C32 H32 120.5 . . ?
C28 C32 H32 120.5 . . ?
C38 C33 C34 119.5(5) . . ?
C38 C33 P2 118.0(4) . . ?
C34 C33 P2 122.5(4) . . ?
C35 C34 C33 119.2(5) . . ?
C35 C34 H34 120.4 . . ?
C33 C34 H34 120.4 . . ?
C36 C35 C34 120.7(5) . . ?
C36 C35 H35 119.7 . . ?
C34 C35 H35 119.7 . . ?
C35 C36 C37 120.3(5) . . ?
C35 C36 H36 119.8 . . ?
C37 C36 H36 119.8 . . ?
C38 C37 C36 119.7(5) . . ?
C38 C37 H37 120.2 . . ?
C36 C37 H37 120.2 . . ?
C37 C38 C33 120.5(5) . . ?
C37 C38 H38 119.8 . . ?
C33 C38 H38 119.8 . . ?
O4 C19 O3 129.3(6) . . ?
O4 C19 C20 117.0(5) . . ?
O3 C19 C20 113.6(5) . . ?
F6 C40 F4 105.1(5) . . ?
F6 C40 F5 108.4(6) . . ?
F4 C40 F5 105.5(5) . . ?
F6 C40 C39 114.7(5) . . ?
F4 C40 C39 111.9(5) . . ?
F5 C40 C39 110.6(5) . . ?
F2 C20 F1 118.5(12) . . ?
F2 C20 F3 107.4(6) . . ?
F1 C20 F3 95.0(10) . . ?
F2 C20 C19 112.9(6) . . ?
F1 C20 C19 113.0(11) . . ?
F3 C20 C19 107.9(5) . . ?
O8 C39 O7 131.0(5) . . ?
O8 C39 C40 116.4(5) . . ?
O7 C39 C40 112.6(5) . . ?
C18 C13 C14 120.0 . . ?
C18 C13 P1 121.1(4) . . ?
C14 C13 P1 118.9(4) . . ?
C13 C18 C17 120.0 . . ?
C13 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C16 C17 C18 120.0 . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C16 C15 120.0 . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C14 C15 C16 120.0 . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C15 C14 C13 120.0 . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C41 O9 C43 111.5 . . ?
O9 C41 C42 111.5 . . ?
O9 C41 H41A 109.3 . . ?
C42 C41 H41A 109.3 . . ?
O9 C41 H41B 109.3 . . ?
C42 C41 H41B 109.3 . . ?
H41A C41 H41B 108.0 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
O9 C43 C44 106.2 . . ?
O9 C43 H43A 110.5 . . ?
C44 C43 H43A 110.5 . . ?
O9 C43 H43B 110.5 . . ?
C44 C43 H43B 110.5 . . ?
H43A C43 H43B 108.7 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C18A C13A C14A 120.0 . . ?
C18A C13A P1 116.2(5) . . ?
C14A C13A P1 123.8(5) . . ?
C17A C18A C13A 120.0 . . ?
C17A C18A H18A 120.0 . . ?
C13A C18A H18A 120.0 . . ?
C18A C17A C16A 120.0 . . ?
C18A C17A H17A 120.0 . . ?
C16A C17A H17A 120.0 . . ?
C17A C16A C15A 120.0 . . ?
C17A C16A H16A 120.0 . . ?
C15A C16A H16A 120.0 . . ?
C14A C15A C16A 120.0 . . ?
C14A C15A H15A 120.0 . . ?
C16A C15A H15A 120.0 . . ?
C15A C14A C13A 120.0 . . ?
C15A C14A H14A 120.0 . . ?
C13A C14A H14A 120.0 . . ?
C43A O9A C41A 134(3) . . ?
C43A O9A O9A 8(3) . 3_765 ?
C41A O9A O9A 138(5) . 3_765 ?
C42A C41A O9A 131(4) . . ?
C42A C41A H41C 104.5 . . ?
O9A C41A H41C 104.5 . . ?
C42A C41A H41D 104.5 . . ?
O9A C41A H41D 104.5 . . ?
H41C C41A H41D 105.7 . . ?
C41A C42A H42D 109.5 . . ?
C41A C42A H42E 109.5 . . ?
H42D C42A H42E 109.5 . . ?
C41A C42A H42F 109.5 . . ?
H42D C42A H42F 109.5 . . ?
H42E C42A H42F 109.5 . . ?
O9A C43A C44A 117(2) . . ?
O9A C43A H43C 108.1 . . ?
C44A C43A H43C 108.1 . . ?
O9A C43A H43D 108.1 . . ?
C44A C43A H43D 108.1 . . ?
H43C C43A H43D 107.3 . . ?
C43A C44A H44D 109.5 . . ?
C43A C44A H44E 109.5 . . ?
H44D C44A H44E 109.5 . . ?
C43A C44A H44F 109.5 . . ?
H44D C44A H44F 109.5 . . ?
H44E C44A H44F 109.5 . . ?
N3 C23 C22 123.9(5) . . ?
N3 C23 H23 118.1 . . ?
C22 C23 H23 118.1 . . ?
C26 C22 C23 117.4(5) . . ?
C26 C22 C21 122.5(5) . . ?
C23 C22 C21 120.1(5) . . ?
C25 C26 C22 119.1(5) . . ?
C25 C26 H26 120.4 . . ?
C22 C26 H26 120.4 . . ?
C26 C25 C24 119.4(5) . . ?
C26 C25 H25 120.3 . . ?
C24 C25 H25 120.3 . . ?
N3 C24 C25 123.2(5) . . ?
N3 C24 H24 118.4 . . ?
C25 C24 H24 118.4 . . ?
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
C21 O5 1.465(6) . ?
C21 C22 1.496(7) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
Ag1 N2 2.297(4) 3_666 ?
Ag1 P1 2.3576(15) . ?
Ag1 O3 2.386(4) . ?
Ag1 O3 2.509(4) 3_766 ?
Ag2 N3 2.322(4) 4_575 ?
Ag2 P2 2.3295(13) . ?
Ag2 O7 2.344(4) . ?
Ag2 N1 2.355(4) . ?
N1 C4 1.329(7) . ?
N1 C3 1.335(7) . ?
N2 C9 1.323(7) . ?
N2 C10 1.355(6) . ?
N2 Ag1 2.297(4) 3_666 ?
N3 C24 1.335(7) . ?
N3 C23 1.339(6) . ?
N3 Ag2 2.322(4) 4_676 ?
N4 C29 1.337(7) . ?
N4 C30 1.345(8) . ?
O1 C1 1.443(6) . ?
O1 P1 1.613(4) . ?
O2 C7 1.449(6) . ?
O2 P1 1.604(4) . ?
O3 C19 1.254(7) . ?
O3 Ag1 2.509(4) 3_766 ?
O4 C19 1.229(7) . ?
O5 P2 1.612(4) . ?
O6 C27 1.455(6) . ?
O6 P2 1.610(4) . ?
O7 C39 1.240(6) . ?
O8 C39 1.235(6) . ?
P1 C13 1.797(6) . ?
P1 C13A 1.835(7) . ?
P2 C33 1.818(5) . ?
C1 C2 1.503(8) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.380(7) . ?
C2 C6 1.386(8) . ?
C3 H3 0.9500 . ?
C4 C5 1.393(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.376(9) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.526(8) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C12 1.380(7) . ?
C8 C9 1.390(7) . ?
C9 H9A 0.9500 . ?
C10 C11 1.380(8) . ?
C10 H10 0.9500 . ?
C11 C12 1.382(8) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C27 C28 1.493(7) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.376(8) . ?
C28 C32 1.386(7) . ?
C29 H29 0.9500 . ?
C30 C31 1.375(8) . ?
C30 H30 0.9500 . ?
C31 C32 1.383(8) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 C38 1.393(7) . ?
C33 C34 1.400(7) . ?
C34 C35 1.378(7) . ?
C34 H34 0.9500 . ?
C35 C36 1.377(8) . ?
C35 H35 0.9500 . ?
C36 C37 1.385(8) . ?
C36 H36 0.9500 . ?
C37 C38 1.373(7) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C19 C20 1.529(8) . ?
C40 F6 1.324(7) . ?
C40 F4 1.335(7) . ?
C40 F5 1.357(7) . ?
C40 C39 1.546(8) . ?
C20 F2 1.268(9) . ?
C20 F1 1.337(14) . ?
C20 F3 1.419(11) . ?
C13 C18 1.3900 . ?
C13 C14 1.3900 . ?
C18 C17 1.3900 . ?
C18 H18 0.9500 . ?
C17 C16 1.3900 . ?
C17 H17 0.9500 . ?
C16 C15 1.3900 . ?
C16 H16 0.9500 . ?
C15 C14 1.3900 . ?
C15 H15 0.9500 . ?
C14 H14 0.9500 . ?
O9 C41 1.3271 . ?
O9 C43 1.4523 . ?
C41 C42 1.4523 . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.6254 . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C13A C18A 1.3900 . ?
C13A C14A 1.3900 . ?
C18A C17A 1.3900 . ?
C18A H18A 0.9500 . ?
C17A C16A 1.3900 . ?
C17A H17A 0.9500 . ?
C16A C15A 1.3900 . ?
C16A H16A 0.9500 . ?
C15A C14A 1.3900 . ?
C15A H15A 0.9500 . ?
C14A H14A 0.9500 . ?
O9A C43A 1.19(4) . ?
O9A C41A 1.39(5) . ?
O9A O9A 1.78(6) 3_765 ?
C41A C42A 1.09(4) . ?
C41A H41C 0.9900 . ?
C41A H41D 0.9900 . ?
C42A H42D 0.9800 . ?
C42A H42E 0.9800 . ?
C42A H42F 0.9800 . ?
C43A C44A 1.54(5) . ?
C43A H43C 0.9900 . ?
C43A H43D 0.9900 . ?
C44A H44D 0.9800 . ?
C44A H44E 0.9800 . ?
C44A H44F 0.9800 . ?
C23 C22 1.389(7) . ?
C23 H23 0.9500 . ?
C22 C26 1.389(8) . ?
C26 C25 1.372(8) . ?
C26 H26 0.9500 . ?
C25 C24 1.373(8) . ?
C25 H25 0.9500 . ?
C24 H24 0.9500 . ?
