#------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/89/2008938.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2008938
loop_
_publ_author_name
'Shao, Si-Chang'
'Zhu, Dun-Ru'
'Zhu, Xu-Hui'
'You, Xiao-Zeng'
'Shanmuga Sundara Raj, S.'
'Fun, Hoong-Kun'
_publ_section_title
;[4-(4-Methylphenyl)-3,5-bis(2-pyridyl)-4H-1,2,4-triazole]bis(triphenylphosphine)silver(I)
 perchlorate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1412
_journal_page_last               1413
_journal_paper_doi               10.1107/S0108270199008197
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '[Ag (C19 H15 N5) (C18 H15 P)2] Cl O4'
_chemical_formula_sum            'C55 H45 Ag Cl N5 O4 P2'
_chemical_formula_weight         1045.22
_chemical_name_systematic
;
3,5-Bis(2-pyridyl)-4-p-methylphenyl-4H-1,2,4-triazole
bis(triphenyl phosphine) silver(I) perchlorate
;
_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'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.6910(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.7610(2)
_cell_length_b                   14.2287(2)
_cell_length_c                   21.1305(2)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.36
_cell_measurement_theta_min      1.23
_cell_volume                     4994.02(10)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  'SHELXTL and PARST (Nardelli, 1995)'
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Siemens SMART CCD area-detector'
_diffrn_measurement_method       ω
_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  0.045
_diffrn_reflns_av_sigmaI/netI    0.0565
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            33642
_diffrn_reflns_theta_full        28.26
_diffrn_reflns_theta_max         28.26
_diffrn_reflns_theta_min         1.23
_exptl_absorpt_coefficient_mu    0.572
_exptl_absorpt_correction_T_max  0.904
_exptl_absorpt_correction_T_min  0.812
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.390
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       slab
_exptl_crystal_F_000             2144
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.330
_refine_diff_density_min         -0.357
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     641
_refine_ls_number_reflns         12270
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.073
_refine_ls_R_factor_gt           0.040
_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)+(0.0503P)²] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.111
_reflns_number_gt                8462
_reflns_number_total             12270
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            na1429.cif
_cod_data_source_block           I
_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 

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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2008938
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_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Ag1 0.267650(12) 0.533352(14) 0.097921(9) 0.04248(7) Uani d . 1 . . Ag
P1 0.29601(4) 0.61667(5) 0.00264(3) 0.03844(15) Uani d . 1 . . P
P2 0.31387(4) 0.59032(5) 0.20838(3) 0.04235(16) Uani d . 1 . . P
Cl1 0.10082(5) 0.28039(5) 0.43382(3) 0.05518(18) Uani d . 1 . . Cl
O1 0.09108(16) 0.25323(18) 0.36810(10) 0.0785(7) Uani d . 1 A . O
O2A 0.1853(5) 0.2788(9) 0.4607(6) 0.131(5) Uani d P 0.60 A 1 O
O3A 0.0653(5) 0.2190(5) 0.4737(4) 0.095(3) Uani d P 0.60 A 1 O
O4A 0.0713(6) 0.3706(6) 0.4420(5) 0.103(4) Uani d P 0.60 A 1 O
O2B 0.0277(8) 0.2513(14) 0.4560(7) 0.167(8) Uani d P 0.40 A 2 O
O3B 0.1157(11) 0.3765(10) 0.4374(8) 0.130(7) Uani d P 0.40 A 2 O
O4B 0.1633(10) 0.2358(12) 0.4634(7) 0.148(8) Uani d P 0.40 A 2 O
N1 0.24848(12) 0.37268(15) 0.09490(10) 0.0404(5) Uani d . 1 . . N
N2 0.30349(12) 0.30054(15) 0.09555(10) 0.0434(5) Uani d . 1 . . N
N3 0.18873(11) 0.24286(14) 0.11933(9) 0.0364(4) Uani d . 1 . . N
N4 0.12291(13) 0.48939(15) 0.10928(11) 0.0451(5) Uani d . 1 . . N
N5 0.28260(19) 0.0643(2) 0.14826(17) 0.0845(10) Uani d . 1 . . N
C1 0.40833(17) 0.6546(2) 0.22759(14) 0.0558(8) Uani d . 1 . . C
C2 0.4791(2) 0.6130(4) 0.2135(2) 0.0929(13) Uani d . 1 . . C
H2C 0.4774 0.5543 0.1940 0.111 Uiso calc R 1 . . H
C3 0.5526(3) 0.6596(5) 0.2286(3) 0.123(2) Uani d . 1 . . C
H3B 0.6001 0.6312 0.2202 0.147 Uiso calc R 1 . . H
C4 0.5548(4) 0.7464(6) 0.2556(3) 0.137(3) Uani d . 1 . . C
H4B 0.6038 0.7775 0.2647 0.164 Uiso calc R 1 . . H
C5 0.4863(4) 0.7887(5) 0.2696(3) 0.135(2) Uani d . 1 . . C
H5B 0.4888 0.8478 0.2886 0.162 Uiso calc R 1 . . H
C6 0.4126(2) 0.7429(3) 0.25546(19) 0.0897(12) Uani d . 1 . . C
H6A 0.3658 0.7718 0.2648 0.108 Uiso calc R 1 . . H
C7 0.23555(16) 0.67170(19) 0.22602(13) 0.0458(6) Uani d . 1 . . C
C8 0.2012(2) 0.7312(2) 0.17815(15) 0.0654(9) Uani d . 1 . . C
H8A 0.2213 0.7329 0.1393 0.079 Uiso calc R 1 . . H
C9 0.1361(3) 0.7889(3) 0.1879(2) 0.0899(13) Uani d . 1 . . C
H9A 0.1129 0.8286 0.1556 0.108 Uiso calc R 1 . . H
C10 0.1069(3) 0.7862(3) 0.2459(3) 0.0976(14) Uani d . 1 . . C
H10A 0.0637 0.8242 0.2527 0.117 Uiso calc R 1 . . H
C11 0.1405(2) 0.7289(3) 0.2928(2) 0.0849(11) Uani d . 1 . . C
H11A 0.1201 0.7278 0.3316 0.102 Uiso calc R 1 . . H
C12 0.20506(18) 0.6715(2) 0.28427(15) 0.0592(8) Uani d . 1 . . C
H12A 0.2280 0.6330 0.3173 0.071 Uiso calc R 1 . . H
C13 0.31832(16) 0.5035(2) 0.27287(13) 0.0454(6) Uani d . 1 . . C
C14 0.3776(2) 0.5014(3) 0.32474(16) 0.0719(10) Uani d . 1 . . C
H14A 0.4204 0.5434 0.3273 0.086 Uiso calc R 1 . . H
C15 0.3732(2) 0.4362(3) 0.37327(18) 0.0854(12) Uani d . 1 . . C
H15A 0.4135 0.4348 0.4081 0.102 Uiso calc R 1 . . H
C16 0.3108(2) 0.3745(3) 0.37047(16) 0.0690(9) Uani d . 1 . . C
H16A 0.3083 0.3316 0.4034 0.083 Uiso calc R 1 . . H
C17 0.2522(2) 0.3755(2) 0.31960(15) 0.0630(8) Uani d . 1 . . C
H17A 0.2091 0.3340 0.3180 0.076 Uiso calc R 1 . . H
C18 0.25618(18) 0.4385(2) 0.26982(14) 0.0536(7) Uani d . 1 . . C
H18A 0.2170 0.4371 0.2343 0.064 Uiso calc R 1 . . H
C19 0.27046(16) 0.55785(19) -0.07378(12) 0.0430(6) Uani d . 1 . . C
C20 0.2710(2) 0.6055(3) -0.13117(14) 0.0742(10) Uani d . 1 . . C
H20A 0.2819 0.6696 -0.1308 0.089 Uiso calc R 1 . . H
C21 0.2556(3) 0.5589(3) -0.18825(17) 0.0890(13) Uani d . 1 . . C
H21A 0.2561 0.5917 -0.2262 0.107 Uiso calc R 1 . . H
C22 0.2397(2) 0.4656(3) -0.19010(17) 0.0758(11) Uani d . 1 . . C
H22A 0.2311 0.4343 -0.2291 0.091 Uiso calc R 1 . . H
C23 0.2364(2) 0.4178(3) -0.13484(18) 0.0717(10) Uani d . 1 . . C
H23A 0.2242 0.3540 -0.1362 0.086 Uiso calc R 1 . . H
C24 0.25121(18) 0.4636(2) -0.07606(15) 0.0532(7) Uani d . 1 . . C
H24A 0.2481 0.4307 -0.0385 0.064 Uiso calc R 1 . . H
C25 0.40359(16) 0.64120(19) 0.00563(12) 0.0440(6) Uani d . 1 . . C
C26 0.4409(2) 0.6906(3) 0.05676(16) 0.0796(12) Uani d . 1 . . C
H26A 0.4108 0.7125 0.0876 0.096 Uiso calc R 1 . . H
C27 0.5233(2) 0.7085(4) 0.06320(18) 0.0957(14) Uani d . 1 . . C
H27A 0.5480 0.7416 0.0984 0.115 Uiso calc R 1 . . H
C28 0.5679(2) 0.6773(3) 0.0177(2) 0.0784(11) Uani d . 1 . . C
H28A 0.6230 0.6892 0.0217 0.094 Uiso calc R 1 . . H
C29 0.5314(2) 0.6293(3) -0.0331(2) 0.0935(13) Uani d . 1 . . C
H29A 0.5613 0.6089 -0.0645 0.112 Uiso calc R 1 . . H
C30 0.4498(2) 0.6098(3) -0.03917(18) 0.0752(10) Uani d . 1 . . C
H30A 0.4260 0.5751 -0.0739 0.090 Uiso calc R 1 . . H
C31 0.24781(16) 0.73159(19) -0.00942(12) 0.0443(6) Uani d . 1 . . C
C32 0.16820(18) 0.7395(2) 0.00141(14) 0.0584(8) Uani d . 1 . . C
H32A 0.1420 0.6873 0.0154 0.070 Uiso calc R 1 . . H
C33 0.1270(2) 0.8242(3) -0.00839(17) 0.0815(12) Uani d . 1 . . C
H33A 0.0734 0.8282 -0.0017 0.098 Uiso calc R 1 . . H
C34 0.1655(3) 0.9017(3) -0.02793(19) 0.0906(13) Uani d . 1 . . C
H34A 0.1382 0.9586 -0.0339 0.109 Uiso calc R 1 . . H
C35 0.2443(3) 0.8956(3) -0.0388(2) 0.0871(12) Uani d . 1 . . C
H35A 0.2701 0.9484 -0.0522 0.105 Uiso calc R 1 . . H
C36 0.2857(2) 0.8111(2) -0.02973(16) 0.0668(9) Uani d . 1 . . C
H36A 0.3390 0.8075 -0.0373 0.080 Uiso calc R 1 . . H
C37 0.18014(14) 0.33728(17) 0.10844(11) 0.0355(5) Uani d . 1 . . C
C38 0.26693(14) 0.22337(19) 0.10965(12) 0.0404(6) Uani d . 1 . . C
C39 0.30696(16) 0.13070(19) 0.11250(13) 0.0449(6) Uani d . 1 . . C
C40 0.3217(3) -0.0183(3) 0.1496(3) 0.1089(17) Uani d . 1 . . C
H40A 0.3043 -0.0662 0.1743 0.131 Uiso calc R 1 . . H
C41 0.3840(3) -0.0367(3) 0.1178(2) 0.0854(12) Uani d . 1 . . C
H41A 0.4091 -0.0951 0.1209 0.103 Uiso calc R 1 . . H
C42 0.4094(3) 0.0325(3) 0.0810(2) 0.0985(15) Uani d . 1 . . C
H42A 0.4525 0.0224 0.0583 0.118 Uiso calc R 1 . . H
C43 0.3705(2) 0.1176(3) 0.07783(19) 0.0842(12) Uani d . 1 . . C
H43A 0.3866 0.1658 0.0527 0.101 Uiso calc R 1 . . H
C44 0.13068(14) 0.17876(17) 0.14142(12) 0.0369(5) Uani d . 1 . . C
C45 0.11096(16) 0.1902(2) 0.20206(12) 0.0462(6) Uani d . 1 . . C
H45A 0.1349 0.2375 0.2284 0.055 Uiso calc R 1 . . H
C46 0.05484(16) 0.1302(2) 0.22347(13) 0.0519(7) Uani d . 1 . . C
H46A 0.0407 0.1384 0.2642 0.062 Uiso calc R 1 . . H
C47 0.01983(16) 0.0588(2) 0.18536(15) 0.0495(7) Uani d . 1 . . C
C48 0.04181(18) 0.04839(19) 0.12454(15) 0.0521(7) Uani d . 1 . . C
H48A 0.0188 0.0005 0.0983 0.063 Uiso calc R 1 . . H
C49 0.09713(16) 0.10772(19) 0.10232(13) 0.0460(6) Uani d . 1 . . C
H49A 0.1115 0.0998 0.0616 0.055 Uiso calc R 1 . . H
C50 -0.0424(2) -0.0059(3) 0.20807(18) 0.0737(10) Uani d . 1 . . C
H50A -0.0598 -0.0509 0.1753 0.111 Uiso calc R 1 . . H
H50B -0.0876 0.0305 0.2173 0.111 Uiso calc R 1 . . H
H50C -0.0190 -0.0382 0.2460 0.111 Uiso calc R 1 . . H
C51 0.10697(14) 0.39642(18) 0.10767(11) 0.0373(5) Uani d . 1 . . C
C52 0.02967(15) 0.3612(2) 0.10339(14) 0.0500(7) Uani d . 1 . . C
H52A 0.0204 0.2968 0.1021 0.060 Uiso calc R 1 . . H
C53 -0.03398(17) 0.4245(2) 0.10103(16) 0.0608(8) Uani d . 1 . . C
H53A -0.0866 0.4027 0.0983 0.073 Uiso calc R 1 . . H
C54 -0.01855(18) 0.5187(2) 0.10272(16) 0.0586(8) Uani d . 1 . . C
H54A -0.0603 0.5620 0.1012 0.070 Uiso calc R 1 . . H
C55 0.06024(17) 0.5481(2) 0.10666(15) 0.0541(7) Uani d . 1 . . C
H55A 0.0704 0.6123 0.1075 0.065 Uiso calc R 1 . . H
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'
Cl Cl 0.1484 0.1585 '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_publ_flag
N1 Ag1 P1 120.04(5) yes
N1 Ag1 P2 111.87(5) yes
P1 Ag1 P2 122.99(2) yes
N1 Ag1 N4 68.20(7) ?
P1 Ag1 N4 119.39(5) yes
P2 Ag1 N4 99.90(5) ?
C19 P1 C31 103.95(12) ?
C19 P1 C25 103.44(12) ?
C31 P1 C25 104.45(13) ?
C19 P1 Ag1 117.44(9) ?
C31 P1 Ag1 114.78(9) ?
C25 P1 Ag1 111.37(8) ?
C7 P2 C1 105.23(14) ?
C7 P2 C13 103.56(13) ?
C1 P2 C13 102.96(13) ?
C7 P2 Ag1 104.80(9) ?
C1 P2 Ag1 121.47(10) ?
C13 P2 Ag1 116.95(10) ?
O4B Cl1 O3B 109.0(11) ?
O4B Cl1 O4A 131.4(9) ?
O3B Cl1 O4A 31.9(8) ?
O4B Cl1 O3A 77.7(9) ?
O3B Cl1 O3A 131.9(7) ?
O4A Cl1 O3A 108.3(5) ?
O4B Cl1 O1 108.2(7) ?
O3B Cl1 O1 108.4(7) ?
O4A Cl1 O1 111.9(5) ?
O3A Cl1 O1 114.4(4) ?
O4B Cl1 O2B 111.6(10) ?
O3B Cl1 O2B 115.0(10) ?
O4A Cl1 O2B 83.9(9) ?
O3A Cl1 O2B 34.0(7) ?
O1 Cl1 O2B 104.4(6) ?
O4B Cl1 O2A 29.7(10) ?
O3B Cl1 O2A 80.6(9) ?
O4A Cl1 O2A 108.0(7) ?
O3A Cl1 O2A 103.0(5) ?
O1 Cl1 O2A 110.7(5) ?
O2B Cl1 O2A 134.4(8) ?
C37 N1 N2 108.2(2) ?
C37 N1 Ag1 119.63(16) ?
N2 N1 Ag1 130.30(15) ?
C38 N2 N1 107.07(19) ?
C37 N3 C38 104.65(19) ?
C37 N3 C44 127.59(19) ?
C38 N3 C44 127.6(2) ?
C55 N4 C51 117.4(2) ?
C55 N4 Ag1 126.54(18) ?
C51 N4 Ag1 115.23(16) ?
C39 N5 C40 117.0(3) ?
C6 C1 C2 118.7(3) ?
C6 C1 P2 122.8(3) ?
C2 C1 P2 118.5(3) ?
C1 C2 C3 119.9(5) ?
C4 C3 C2 120.0(5) ?
C3 C4 C5 121.1(5) ?
C4 C5 C6 119.7(6) ?
C1 C6 C5 120.6(5) ?
C8 C7 C12 118.7(3) ?
C8 C7 P2 118.6(2) ?
C12 C7 P2 122.5(2) ?
C7 C8 C9 120.5(3) ?
C10 C9 C8 119.3(4) ?
C11 C10 C9 120.5(4) ?
C10 C11 C12 121.2(4) ?
C11 C12 C7 119.9(3) ?
C14 C13 C18 118.6(3) ?
C14 C13 P2 124.0(2) ?
C18 C13 P2 117.3(2) ?
C13 C14 C15 119.8(3) ?
C16 C15 C14 120.9(3) ?
C17 C16 C15 119.9(3) ?
C16 C17 C18 120.3(3) ?
C13 C18 C17 120.4(3) ?
C24 C19 C20 118.2(3) ?
C24 C19 P1 120.3(2) ?
C20 C19 P1 121.4(2) ?
C21 C20 C19 120.6(3) ?
C22 C21 C20 120.9(4) ?
C21 C22 C23 119.8(3) ?
C22 C23 C24 120.5(3) ?
C19 C24 C23 119.9(3) ?
C26 C25 C30 118.1(3) ?
C26 C25 P1 118.0(2) ?
C30 C25 P1 123.9(2) ?
C25 C26 C27 120.9(3) ?
C28 C27 C26 120.0(4) ?
C29 C28 C27 119.3(3) ?
C28 C29 C30 120.9(4) ?
C25 C30 C29 120.8(3) ?
C32 C31 C36 118.2(3) ?
C32 C31 P1 117.8(2) ?
C36 C31 P1 124.0(2) ?
C31 C32 C33 121.0(3) ?
C34 C33 C32 119.9(4) ?
C33 C34 C35 120.2(4) ?
C34 C35 C36 120.3(4) ?
C35 C36 C31 120.4(3) ?
N1 C37 N3 109.7(2) ?
N1 C37 C51 121.4(2) ?
N3 C37 C51 128.8(2) ?
N2 C38 N3 110.3(2) ?
N2 C38 C39 122.2(2) ?
N3 C38 C39 127.4(2) ?
N5 C39 C43 122.0(3) ?
N5 C39 C38 119.5(2) ?
C43 C39 C38 118.4(3) ?
C41 C40 N5 124.8(4) ?
C40 C41 C42 118.1(3) ?
C41 C42 C43 118.9(4) ?
C42 C43 C39 119.2(3) ?
C45 C44 C49 121.1(2) ?
C45 C44 N3 118.6(2) ?
C49 C44 N3 120.3(2) ?
C44 C45 C46 119.2(3) ?
C47 C46 C45 121.1(3) ?
C46 C47 C48 118.3(3) ?
C46 C47 C50 121.3(3) ?
C48 C47 C50 120.4(3) ?
C49 C48 C47 121.4(3) ?
C44 C49 C48 118.9(3) ?
N4 C51 C52 122.6(2) ?
N4 C51 C37 113.2(2) ?
C52 C51 C37 124.1(2) ?
C51 C52 C53 118.4(3) ?
C54 C53 C52 119.5(3) ?
C53 C54 C55 118.5(3) ?
N4 C55 C54 123.7(3) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag1 N1 . 2.308(2) ?
Ag1 P1 . 2.4380(10) ?
Ag1 P2 . 2.4940(10) ?
Ag1 N4 . 2.548(2) ?
P1 C19 . 1.818(3) y
P1 C31 . 1.826(3) y
P1 C25 . 1.829(3) y
P2 C7 . 1.826(3) y
P2 C1 . 1.826(3) y
P2 C13 . 1.834(3) y
Cl1 O4B . 1.310(11) ?
Cl1 O3B . 1.391(14) ?
Cl1 O4A . 1.395(8) ?
Cl1 O3A . 1.401(6) ?
Cl1 O1 . 1.430(2) ?
Cl1 O2B . 1.430(13) ?
Cl1 O2A . 1.453(9) ?
N1 C37 . 1.317(3) ?
N1 N2 . 1.379(3) ?
N2 C38 . 1.311(3) ?
N3 C37 . 1.367(3) ?
N3 C38 . 1.382(3) ?
N3 C44 . 1.455(3) ?
N4 C55 . 1.337(3) ?
N4 C51 . 1.349(3) ?
N5 C39 . 1.309(4) ?
N5 C40 . 1.343(4) ?
C1 C6 . 1.385(5) ?
C1 C2 . 1.393(5) ?
C2 C3 . 1.399(6) ?
C3 C4 . 1.359(9) ?
C4 C5 . 1.363(9) ?
C5 C6 . 1.394(6) ?
C7 C8 . 1.384(4) ?
C7 C12 . 1.395(4) ?
C8 C9 . 1.402(5) ?
C9 C10 . 1.381(6) ?
C10 C11 . 1.346(6) ?
C11 C12 . 1.386(5) ?
C13 C14 . 1.378(4) ?
C13 C18 . 1.388(4) ?
C14 C15 . 1.392(5) ?
C15 C16 . 1.362(5) ?
C16 C17 . 1.355(4) ?
C17 C18 . 1.390(4) ?
C19 C24 . 1.378(4) ?
C19 C20 . 1.391(4) ?
C20 C21 . 1.371(5) ?
C21 C22 . 1.353(5) ?
C22 C23 . 1.359(5) ?
C23 C24 . 1.395(5) ?
C25 C26 . 1.368(4) ?
C25 C30 . 1.376(4) ?
C26 C27 . 1.393(5) ?
C27 C28 . 1.369(5) ?
C28 C29 . 1.349(5) ?
C29 C30 . 1.383(5) ?
C31 C32 . 1.388(4) ?
C31 C36 . 1.393(4) ?
C32 C33 . 1.391(5) ?
C33 C34 . 1.369(6) ?
C34 C35 . 1.373(6) ?
C35 C36 . 1.389(5) ?
C37 C51 . 1.486(3) ?
C38 C39 . 1.477(4) ?
C39 C43 . 1.383(4) ?
C40 C41 . 1.340(6) ?
C41 C42 . 1.358(6) ?
C42 C43 . 1.373(5) ?
C44 C45 . 1.375(3) ?
C44 C49 . 1.377(4) ?
C45 C46 . 1.390(4) ?
C46 C47 . 1.378(4) ?
C47 C48 . 1.391(4) ?
C47 C50 . 1.516(4) ?
C48 C49 . 1.382(4) ?
C51 C52 . 1.381(3) ?
C52 C53 . 1.391(4) ?
C53 C54 . 1.365(4) ?
C54 C55 . 1.377(4) ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C48 H48A O4A 2_545 0.93 2.47 3.360(10) 160 yes
C49 H49A O4A 4_565 0.93 2.56 3.370(10) 146 yes
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
N1 Ag1 P1 C19 18.95(12)
P2 Ag1 P1 C19 171.61(10)
N4 Ag1 P1 C19 -61.46(12)
N1 Ag1 P1 C31 141.56(11)
P2 Ag1 P1 C31 -65.78(10)
N4 Ag1 P1 C31 61.15(11)
N1 Ag1 P1 C25 -100.03(11)
P2 Ag1 P1 C25 52.63(10)
N4 Ag1 P1 C25 179.56(11)
N1 Ag1 P2 C7 -119.18(11)
P1 Ag1 P2 C7 86.19(10)
N4 Ag1 P2 C7 -48.82(11)
N1 Ag1 P2 C1 122.11(14)
P1 Ag1 P2 C1 -32.52(13)
N4 Ag1 P2 C1 -167.52(14)
N1 Ag1 P2 C13 -5.20(11)
P1 Ag1 P2 C13 -159.83(10)
N4 Ag1 P2 C13 65.16(11)
P1 Ag1 N1 C37 -121.15(17)
P2 Ag1 N1 C37 83.38(18)
N4 Ag1 N1 C37 -8.87(17)
P1 Ag1 N1 N2 76.2(2)
P2 Ag1 N1 N2 -79.3(2)
N4 Ag1 N1 N2 -171.5(2)
C37 N1 N2 C38 -0.2(3)
Ag1 N1 N2 C38 164.01(17)
N1 Ag1 N4 C55 -169.2(3)
P1 Ag1 N4 C55 -56.0(3)
P2 Ag1 N4 C55 81.1(2)
N1 Ag1 N4 C51 -0.27(16)
P1 Ag1 N4 C51 112.91(17)
P2 Ag1 N4 C51 -109.99(17)
C7 P2 C1 C6 5.6(3)
C13 P2 C1 C6 -102.6(3)
Ag1 P2 C1 C6 124.1(3)
C7 P2 C1 C2 -174.3(3)
C13 P2 C1 C2 77.5(3)
Ag1 P2 C1 C2 -55.8(3)
C6 C1 C2 C3 1.2(6)
P2 C1 C2 C3 -178.9(3)
C1 C2 C3 C4 -1.7(7)
C2 C3 C4 C5 1.4(9)
C3 C4 C5 C6 -0.8(9)
C2 C1 C6 C5 -0.6(6)
P2 C1 C6 C5 179.5(4)
C4 C5 C6 C1 0.4(8)
C1 P2 C7 C8 89.6(3)
C13 P2 C7 C8 -162.6(2)
Ag1 P2 C7 C8 -39.6(3)
C1 P2 C7 C12 -95.1(3)
C13 P2 C7 C12 12.6(3)
Ag1 P2 C7 C12 135.7(2)
C12 C7 C8 C9 -1.0(5)
P2 C7 C8 C9 174.4(3)
C7 C8 C9 C10 0.3(6)
C8 C9 C10 C11 0.1(7)
C9 C10 C11 C12 0.1(7)
C10 C11 C12 C7 -0.8(6)
C8 C7 C12 C11 1.2(5)
P2 C7 C12 C11 -174.0(3)
C7 P2 C13 C14 -103.0(3)
C1 P2 C13 C14 6.4(3)
Ag1 P2 C13 C14 142.3(3)
C7 P2 C13 C18 74.5(3)
C1 P2 C13 C18 -176.1(2)
Ag1 P2 C13 C18 -40.2(3)
C18 C13 C14 C15 -1.4(5)
P2 C13 C14 C15 176.1(3)
C13 C14 C15 C16 -0.4(7)
C14 C15 C16 C17 0.6(7)
C15 C16 C17 C18 0.9(6)
C14 C13 C18 C17 2.9(5)
P2 C13 C18 C17 -174.8(2)
C16 C17 C18 C13 -2.7(5)
C31 P1 C19 C24 -140.6(2)
C25 P1 C19 C24 110.5(2)
Ag1 P1 C19 C24 -12.6(3)
C31 P1 C19 C20 40.5(3)
C25 P1 C19 C20 -68.4(3)
Ag1 P1 C19 C20 168.5(2)
C24 C19 C20 C21 -2.3(5)
P1 C19 C20 C21 176.6(3)
C19 C20 C21 C22 -0.1(7)
C20 C21 C22 C23 2.1(7)
C21 C22 C23 C24 -1.6(6)
C20 C19 C24 C23 2.8(5)
P1 C19 C24 C23 -176.1(2)
C22 C23 C24 C19 -0.9(5)
C19 P1 C25 C26 176.5(3)
C31 P1 C25 C26 68.0(3)
Ag1 P1 C25 C26 -56.4(3)
C19 P1 C25 C30 -6.1(3)
C31 P1 C25 C30 -114.6(3)
Ag1 P1 C25 C30 120.9(3)
C30 C25 C26 C27 0.0(6)
P1 C25 C26 C27 177.5(3)
C25 C26 C27 C28 0.6(7)
C26 C27 C28 C29 -0.1(7)
C27 C28 C29 C30 -1.0(7)
C26 C25 C30 C29 -1.2(6)
P1 C25 C30 C29 -178.5(3)
C28 C29 C30 C25 1.7(7)
C19 P1 C31 C32 86.9(2)
C25 P1 C31 C32 -164.9(2)
Ag1 P1 C31 C32 -42.7(2)
C19 P1 C31 C36 -92.0(3)
C25 P1 C31 C36 16.1(3)
Ag1 P1 C31 C36 138.4(2)
C36 C31 C32 C33 0.7(5)
P1 C31 C32 C33 -178.3(2)
C31 C32 C33 C34 -1.1(5)
C32 C33 C34 C35 0.9(6)
C33 C34 C35 C36 -0.3(6)
C34 C35 C36 C31 -0.2(6)
C32 C31 C36 C35 0.0(5)
P1 C31 C36 C35 178.9(3)
N2 N1 C37 N3 1.1(3)
Ag1 N1 C37 N3 -165.04(15)
N2 N1 C37 C51 -176.3(2)
Ag1 N1 C37 C51 17.6(3)
C38 N3 C37 N1 -1.6(3)
C44 N3 C37 N1 173.8(2)
C38 N3 C37 C51 175.6(2)
C44 N3 C37 C51 -9.1(4)
N1 N2 C38 N3 -0.8(3)
N1 N2 C38 C39 177.9(2)
C37 N3 C38 N2 1.5(3)
C44 N3 C38 N2 -173.9(2)
C37 N3 C38 C39 -177.2(2)
C44 N3 C38 C39 7.4(4)
C40 N5 C39 C43 -0.5(6)
C40 N5 C39 C38 -179.3(4)
N2 C38 C39 N5 154.5(3)
N3 C38 C39 N5 -26.9(4)
N2 C38 C39 C43 -24.3(4)
N3 C38 C39 C43 154.2(3)
C39 N5 C40 C41 0.9(8)
N5 C40 C41 C42 -0.6(8)
C40 C41 C42 C43 -0.1(8)
C41 C42 C43 C39 0.5(7)
N5 C39 C43 C42 -0.2(6)
C38 C39 C43 C42 178.7(4)
C37 N3 C44 C45 -65.8(3)
C38 N3 C44 C45 108.5(3)
C37 N3 C44 C49 114.8(3)
C38 N3 C44 C49 -70.8(3)
C49 C44 C45 C46 -1.5(4)
N3 C44 C45 C46 179.2(2)
C44 C45 C46 C47 1.1(4)
C45 C46 C47 C48 -0.3(4)
C45 C46 C47 C50 -179.0(3)
C46 C47 C48 C49 -0.1(4)
C50 C47 C48 C49 178.7(3)
C45 C44 C49 C48 1.1(4)
N3 C44 C49 C48 -179.6(2)
C47 C48 C49 C44 -0.3(4)
C55 N4 C51 C52 0.1(4)
Ag1 N4 C51 C52 -169.9(2)
C55 N4 C51 C37 177.9(2)
Ag1 N4 C51 C37 7.9(3)
N1 C37 C51 N4 -16.8(3)
N3 C37 C51 N4 166.3(2)
N1 C37 C51 C52 160.9(3)
N3 C37 C51 C52 -15.9(4)
N4 C51 C52 C53 -0.4(4)
C37 C51 C52 C53 -177.9(3)
C51 C52 C53 C54 0.3(5)
C52 C53 C54 C55 0.1(5)
C51 N4 C55 C54 0.3(5)
Ag1 N4 C55 C54 169.0(2)
C53 C54 C55 N4 -0.4(5)
