#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:14:31 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180067 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/13/7051312.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_7051312
loop_
_publ_author_name
'Sun, Wei-Yin'
'Xie, Jin'
'Mei, Yu-Hua'
'Yu, Kai-Bei'
_publ_section_title
;
 Synthesis and crystal structure of three-coordinated silver(I) and
 copper(I) complexes with N2P binding set containing a novel tripodal
 ligand: 1,3,5-tris(benzimidazol-2-ylmethyl)benzene
;
_journal_issue                   7
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              519
_journal_paper_doi               10.1039/b002450n
_journal_volume                  24
_journal_year                    2000
_chemical_formula_sum            'C49 H45 Ag N7 O5 P'
_chemical_formula_weight         950.76
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 118.610(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.504(4)
_cell_length_b                   20.498(3)
_cell_length_c                   19.688(3)
_cell_measurement_reflns_used    29
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      16.28
_cell_measurement_theta_min      3.83
_cell_volume                     9036(3)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0136
_diffrn_reflns_av_sigmaI/netI    0.0598
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            8686
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.82
_diffrn_standards_decay_%        7.13
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.537
_exptl_absorpt_correction_T_max  0.9500
_exptl_absorpt_correction_T_min  0.8540
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    1.398
_exptl_crystal_F_000             3920
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.34
_refine_diff_density_max         0.459
_refine_diff_density_min         -0.371
_refine_diff_density_rms         0.052
_refine_ls_extinction_coef       0.00007(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   0.859
_refine_ls_goodness_of_fit_obs   1.038
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     571
_refine_ls_number_reflns         7970
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.899
_refine_ls_restrained_S_obs      1.038
_refine_ls_R_factor_all          0.0762
_refine_ls_R_factor_obs          0.0409
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0519P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1022
_refine_ls_wR_factor_obs         0.0898
_reflns_number_observed          4822
_reflns_number_total             7973
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b002450n.txt
_cod_data_source_block           '[Ag(tbib)(PPh3)]NO3.CH3OH.H2O'
_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:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0519P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0519P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        9035.8(24)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7051312
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ag Ag 0.543592(12) 0.714291(15) 0.55237(2) 0.05378(11) Uani 1 d . .
P P 0.64090(4) 0.72669(5) 0.56076(6) 0.0484(3) Uani 1 d . .
O1 O 0.3828(2) 0.4933(2) 0.6348(3) 0.147(2) Uani 1 d . .
O2 O 0.3155(2) 0.5301(3) 0.5342(3) 0.151(2) Uani 1 d . .
O3 O 0.3135(2) 0.5546(2) 0.6316(3) 0.156(2) Uani 1 d . .
O4 O 0.6900(2) 0.9231(2) 0.9298(3) 0.137(2) Uani 1 d . .
O5 O 0.4020(2) 0.9933(2) 0.5810(3) 0.142(2) Uani 1 d . .
H5 H 0.3724(5) 0.9725(9) 0.5739(37) 0.171 Uiso 1 calc R .
N1 N 0.48853(12) 0.62295(14) 0.5271(2) 0.0472(7) Uani 1 d . .
N2 N 0.44029(13) 0.53859(14) 0.5413(2) 0.0528(8) Uani 1 d . .
H2 H 0.42759(13) 0.51134(14) 0.5633(2) 0.063 Uiso 1 calc R .
N3 N 0.49448(13) 0.8151(2) 0.5210(2) 0.0551(8) Uani 1 d . .
N4 N 0.45786(14) 0.9133(2) 0.5223(2) 0.0723(10) Uani 1 d . .
H4 H 0.44607(14) 0.9460(2) 0.5387(2) 0.087 Uiso 1 calc R .
N5 N 0.67032(12) 0.7933(2) 0.9510(2) 0.0583(8) Uani 1 d . .
N6 N 0.67824(14) 0.6857(2) 0.9551(2) 0.0673(10) Uani 1 d . .
H6 H 0.68162(14) 0.6468(2) 0.9414(2) 0.081 Uiso 1 calc R .
N7 N 0.3385(2) 0.5244(2) 0.6024(3) 0.0812(12) Uani 1 d . .
C1 C 0.45742(15) 0.5905(2) 0.4565(2) 0.0463(9) Uani 1 d . .
C2 C 0.4530(2) 0.6042(2) 0.3847(2) 0.0552(10) Uani 1 d . .
H2A H 0.4729(2) 0.6395(2) 0.3778(2) 0.066 Uiso 1 calc R .
C3 C 0.4179(2) 0.5635(2) 0.3241(2) 0.0617(11) Uani 1 d . .
H3 H 0.4143(2) 0.5715(2) 0.2756(2) 0.074 Uiso 1 calc R .
C4 C 0.3880(2) 0.5109(2) 0.3338(2) 0.0626(11) Uani 1 d . .
H4A H 0.3646(2) 0.4847(2) 0.2914(2) 0.075 Uiso 1 calc R .
C5 C 0.3919(2) 0.4967(2) 0.4038(2) 0.0599(10) Uani 1 d . .
H5 H 0.3718(2) 0.4613(2) 0.4102(2) 0.072 Uiso 1 calc R .
C6 C 0.42703(15) 0.5374(2) 0.4649(2) 0.0476(9) Uani 1 d . .
C7 C 0.47650(15) 0.5896(2) 0.5756(2) 0.0466(9) Uani 1 d . .
C8 C 0.5002(2) 0.6027(2) 0.6597(2) 0.0580(10) Uani 1 d . .
H8A H 0.5292(2) 0.5692(2) 0.6886(2) 0.070 Uiso 1 calc R .
H8B H 0.4675(2) 0.5986(2) 0.6716(2) 0.070 Uiso 1 calc R .
C9 C 0.5291(2) 0.6683(2) 0.6876(2) 0.0506(9) Uani 1 d . .
C10 C 0.4966(2) 0.7247(2) 0.6547(2) 0.0532(10) Uani 1 d . .
H10 H 0.4573(2) 0.7214(2) 0.6153(2) 0.064 Uiso 1 calc R .
C11 C 0.5216(2) 0.7860(2) 0.6793(2) 0.0555(10) Uani 1 d . .
C12 C 0.5802(2) 0.7900(2) 0.7398(2) 0.0621(11) Uani 1 d . .
H12 H 0.5975(2) 0.8306(2) 0.7574(2) 0.075 Uiso 1 calc R .
C13 C 0.6126(2) 0.7344(2) 0.7738(2) 0.0598(11) Uani 1 d . .
C14 C 0.5870(2) 0.6740(2) 0.7463(2) 0.0567(10) Uani 1 d . .
H14 H 0.6093(2) 0.6365(2) 0.7680(2) 0.068 Uiso 1 calc R .
C15 C 0.4865(2) 0.8455(2) 0.6396(2) 0.0678(12) Uani 1 d . .
H15A H 0.5057(2) 0.8833(2) 0.6716(2) 0.081 Uiso 1 calc R .
H15B H 0.4469(2) 0.8418(2) 0.6347(2) 0.081 Uiso 1 calc R .
C16 C 0.4805(2) 0.8563(2) 0.5606(2) 0.0563(10) Uani 1 d . .
C17 C 0.4797(2) 0.8473(2) 0.4516(2) 0.0596(10) Uani 1 d . .
C18 C 0.4849(2) 0.8268(2) 0.3881(3) 0.0754(13) Uani 1 d . .
H18 H 0.5006(2) 0.7861(2) 0.3869(3) 0.090 Uiso 1 calc R .
C19 C 0.4656(2) 0.8699(3) 0.3258(3) 0.096(2) Uani 1 d . .
H19 H 0.4681(2) 0.8572(3) 0.2821(3) 0.115 Uiso 1 calc R .
C20 C 0.4427(2) 0.9310(3) 0.3269(4) 0.108(2) Uani 1 d . .
H20 H 0.4303(2) 0.9581(3) 0.2841(4) 0.129 Uiso 1 calc R .
C21 C 0.4379(2) 0.9523(3) 0.3899(4) 0.097(2) Uani 1 d . .
H21 H 0.4226(2) 0.9932(3) 0.3912(4) 0.117 Uiso 1 calc R .
C22 C 0.4573(2) 0.9087(2) 0.4520(3) 0.0691(11) Uani 1 d . .
C23 C 0.6758(2) 0.7404(2) 0.8414(2) 0.0775(13) Uani 1 d . .
H23A H 0.6998(2) 0.7041(2) 0.8404(2) 0.093 Uiso 1 calc R .
H23B H 0.6939(2) 0.7804(2) 0.8361(2) 0.093 Uiso 1 calc R .
C24 C 0.67527(14) 0.7410(2) 0.9170(2) 0.0549(10) Uani 1 d . .
C25 C 0.6748(2) 0.7033(2) 1.0206(3) 0.0672(12) Uani 1 d . .
C26 C 0.6768(2) 0.6677(3) 1.0817(4) 0.111(2) Uani 1 d . .
H26 H 0.6808(2) 0.6226(3) 1.0841(4) 0.133 Uiso 1 calc R .
C27 C 0.6724(3) 0.7025(5) 1.1386(4) 0.139(4) Uani 1 d . .
H27 H 0.6728(3) 0.6804(5) 1.1800(4) 0.167 Uiso 1 calc R .
C28 C 0.6677(2) 0.7686(5) 1.1353(4) 0.128(3) Uani 1 d . .
H28 H 0.6657(2) 0.7904(5) 1.1754(4) 0.154 Uiso 1 calc R .
C29 C 0.6659(2) 0.8044(3) 1.0756(3) 0.088(2) Uani 1 d . .
H29 H 0.6624(2) 0.8496(3) 1.0743(3) 0.105 Uiso 1 calc R .
C30 C 0.66954(15) 0.7705(2) 1.0170(2) 0.0579(11) Uani 1 d . .
C31 C 0.6281(2) 0.7262(2) 0.4616(2) 0.0496(9) Uani 1 d . .
C32 C 0.5966(2) 0.6743(2) 0.4151(2) 0.0648(11) Uani 1 d . .
H32 H 0.5859(2) 0.6399(2) 0.4368(2) 0.078 Uiso 1 calc R .
C33 C 0.5806(2) 0.6720(3) 0.3381(3) 0.0829(14) Uani 1 d . .
H33 H 0.5597(2) 0.6362(3) 0.3084(3) 0.100 Uiso 1 calc R .
C34 C 0.5953(2) 0.7215(3) 0.3054(3) 0.090(2) Uani 1 d . .
H34 H 0.5839(2) 0.7200(3) 0.2529(3) 0.108 Uiso 1 calc R .
C35 C 0.6270(2) 0.7745(3) 0.3491(3) 0.0849(15) Uani 1 d . .
H35 H 0.6373(2) 0.8084(3) 0.3264(3) 0.102 Uiso 1 calc R .
C36 C 0.6435(2) 0.7766(2) 0.4279(2) 0.0657(11) Uani 1 d . .
H36 H 0.6650(2) 0.8121(2) 0.4577(2) 0.079 Uiso 1 calc R .
C37 C 0.69562(15) 0.6632(2) 0.6094(2) 0.0505(9) Uani 1 d . .
C38 C 0.7216(2) 0.6261(2) 0.5751(3) 0.0706(12) Uani 1 d . .
H38 H 0.7129(2) 0.6344(2) 0.5244(3) 0.085 Uiso 1 calc R .
C39 C 0.7608(2) 0.5763(2) 0.6168(4) 0.096(2) Uani 1 d . .
H39 H 0.7781(2) 0.5508(2) 0.5937(4) 0.116 Uiso 1 calc R .
C40 C 0.7741(2) 0.5646(3) 0.6921(4) 0.103(2) Uani 1 d . .
H40 H 0.8011(2) 0.5318(3) 0.7201(4) 0.124 Uiso 1 calc R .
C41 C 0.7487(3) 0.6002(3) 0.7257(3) 0.101(2) Uani 1 d . .
H41 H 0.7577(3) 0.5919(3) 0.7766(3) 0.121 Uiso 1 calc R .
C42 C 0.7095(2) 0.6486(2) 0.6846(3) 0.0794(13) Uani 1 d . .
H42 H 0.6915(2) 0.6725(2) 0.7081(3) 0.095 Uiso 1 calc R .
C43 C 0.6815(2) 0.8016(2) 0.6040(2) 0.0512(9) Uani 1 d . .
C44 C 0.7376(2) 0.8150(2) 0.6141(2) 0.0688(12) Uani 1 d . .
H44 H 0.7566(2) 0.7843(2) 0.5986(2) 0.083 Uiso 1 calc R .
C45 C 0.7663(2) 0.8728(2) 0.6467(3) 0.089(2) Uani 1 d . .
H45 H 0.8038(2) 0.8813(2) 0.6517(3) 0.107 Uiso 1 calc R .
C46 C 0.7401(2) 0.9166(3) 0.6711(4) 0.120(2) Uani 1 d . .
H46 H 0.7591(2) 0.9559(3) 0.6923(4) 0.144 Uiso 1 calc R .
C47 C 0.6855(2) 0.9037(3) 0.6650(4) 0.135(3) Uani 1 d . .
H47 H 0.6683(2) 0.9333(3) 0.6843(4) 0.161 Uiso 1 calc R .
C48 C 0.6558(2) 0.8466(2) 0.6300(3) 0.090(2) Uani 1 d . .
H48 H 0.6179(2) 0.8389(2) 0.6242(3) 0.109 Uiso 1 calc R .
C49 C 0.3869(4) 1.0530(3) 0.5589(6) 0.197(4) Uani 1 d . .
H49A H 0.3878(25) 1.0779(7) 0.6008(11) 0.236 Uiso 1 calc R .
H49B H 0.3473(11) 1.0539(4) 0.5157(21) 0.236 Uiso 1 calc R .
H49C H 0.4144(16) 1.0715(10) 0.5440(33) 0.236 Uiso 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
N1 Ag N3 118.57(10) . . ?
N1 Ag P 127.87(8) . . ?
N3 Ag P 109.07(8) . . ?
C37 P C31 105.1(2) . . ?
C37 P C43 103.7(2) . . ?
C31 P C43 106.0(2) . . ?
C37 P Ag 117.76(12) . . ?
C31 P Ag 105.97(12) . . ?
C43 P Ag 117.11(12) . . ?
C7 N1 C1 104.8(3) . . ?
C7 N1 Ag 127.3(2) . . ?
C1 N1 Ag 127.9(2) . . ?
C7 N2 C6 108.3(3) . . ?
C16 N3 C17 104.7(3) . . ?
C16 N3 Ag 132.5(3) . . ?
C17 N3 Ag 122.4(3) . . ?
C16 N4 C22 107.2(4) . . ?
C24 N5 C30 104.6(3) . . ?
C24 N6 C25 106.8(4) . . ?
O1 N7 O2 119.3(6) . . ?
O1 N7 O3 127.0(5) . . ?
O2 N7 O3 113.6(6) . . ?
C6 C1 C2 120.0(3) . . ?
C6 C1 N1 109.8(3) . . ?
C2 C1 N1 130.2(3) . . ?
C3 C2 C1 117.3(4) . . ?
C2 C3 C4 121.7(4) . . ?
C5 C4 C3 121.8(4) . . ?
C4 C5 C6 116.8(4) . . ?
N2 C6 C5 132.7(4) . . ?
N2 C6 C1 104.9(3) . . ?
C5 C6 C1 122.4(3) . . ?
N1 C7 N2 112.3(3) . . ?
N1 C7 C8 126.8(3) . . ?
N2 C7 C8 120.9(3) . . ?
C7 C8 C9 115.7(3) . . ?
C14 C9 C10 118.8(4) . . ?
C14 C9 C8 121.5(4) . . ?
C10 C9 C8 119.7(3) . . ?
C11 C10 C9 121.2(3) . . ?
C10 C11 C12 118.4(4) . . ?
C10 C11 C15 119.8(3) . . ?
C12 C11 C15 121.8(4) . . ?
C13 C12 C11 120.9(4) . . ?
C12 C13 C14 119.3(3) . . ?
C12 C13 C23 119.5(4) . . ?
C14 C13 C23 121.2(4) . . ?
C9 C14 C13 121.3(4) . . ?
C11 C15 C16 113.6(3) . . ?
N3 C16 N4 112.8(4) . . ?
N3 C16 C15 126.8(4) . . ?
N4 C16 C15 120.4(4) . . ?
C22 C17 C18 120.0(4) . . ?
C22 C17 N3 110.1(4) . . ?
C18 C17 N3 129.9(4) . . ?
C17 C18 C19 117.0(5) . . ?
C20 C19 C18 122.2(5) . . ?
C21 C20 C19 121.5(6) . . ?
C20 C21 C22 115.9(5) . . ?
N4 C22 C17 105.2(4) . . ?
N4 C22 C21 131.4(5) . . ?
C17 C22 C21 123.4(5) . . ?
C24 C23 C13 111.1(3) . . ?
N5 C24 N6 113.7(4) . . ?
N5 C24 C23 124.6(4) . . ?
N6 C24 C23 121.7(4) . . ?
C30 C25 N6 105.1(4) . . ?
C30 C25 C26 122.1(5) . . ?
N6 C25 C26 132.8(5) . . ?
C27 C26 C25 116.7(6) . . ?
C28 C27 C26 121.2(7) . . ?
C27 C28 C29 122.8(7) . . ?
C28 C29 C30 117.2(6) . . ?
C25 C30 C29 120.0(5) . . ?
C25 C30 N5 109.8(4) . . ?
C29 C30 N5 130.1(5) . . ?
C36 C31 C32 117.9(4) . . ?
C36 C31 P 124.4(3) . . ?
C32 C31 P 117.6(3) . . ?
C33 C32 C31 121.9(4) . . ?
C34 C33 C32 120.0(5) . . ?
C33 C34 C35 120.5(5) . . ?
C34 C35 C36 119.4(5) . . ?
C31 C36 C35 120.2(4) . . ?
C38 C37 C42 118.0(4) . . ?
C38 C37 P 124.5(3) . . ?
C42 C37 P 117.4(3) . . ?
C37 C38 C39 119.7(4) . . ?
C40 C39 C38 120.1(5) . . ?
C41 C40 C39 120.6(5) . . ?
C40 C41 C42 119.5(5) . . ?
C41 C42 C37 122.1(5) . . ?
C48 C43 C44 117.7(4) . . ?
C48 C43 P 118.5(3) . . ?
C44 C43 P 123.7(3) . . ?
C43 C44 C45 121.5(4) . . ?
C46 C45 C44 119.8(4) . . ?
C45 C46 C47 120.3(5) . . ?
C46 C47 C48 119.9(5) . . ?
C43 C48 C47 120.7(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
Ag N1 2.249(3) . ?
Ag N3 2.341(3) . ?
Ag P 2.4205(10) . ?
P C37 1.811(4) . ?
P C31 1.819(4) . ?
P C43 1.820(4) . ?
O1 N7 1.183(5) . ?
O2 N7 1.186(5) . ?
O3 N7 1.212(5) . ?
O5 C49 1.293(6) . ?
N1 C7 1.325(4) . ?
N1 C1 1.396(4) . ?
N2 C7 1.344(4) . ?
N2 C6 1.375(4) . ?
N3 C16 1.309(4) . ?
N3 C17 1.396(5) . ?
N4 C16 1.360(5) . ?
N4 C22 1.379(5) . ?
N5 C24 1.300(5) . ?
N5 C30 1.391(5) . ?
N6 C24 1.342(5) . ?
N6 C25 1.382(5) . ?
C1 C6 1.390(5) . ?
C1 C2 1.393(5) . ?
C2 C3 1.377(5) . ?
C3 C4 1.385(5) . ?
C4 C5 1.366(5) . ?
C5 C6 1.384(5) . ?
C7 C8 1.488(5) . ?
C8 C9 1.507(5) . ?
C9 C14 1.377(5) . ?
C9 C10 1.389(5) . ?
C10 C11 1.386(5) . ?
C11 C12 1.398(5) . ?
C11 C15 1.492(5) . ?
C12 C13 1.378(5) . ?
C13 C14 1.381(5) . ?
C13 C23 1.527(5) . ?
C15 C16 1.505(5) . ?
C17 C22 1.382(6) . ?
C17 C18 1.387(6) . ?
C18 C19 1.395(6) . ?
C19 C20 1.386(7) . ?
C20 C21 1.375(7) . ?
C21 C22 1.400(6) . ?
C23 C24 1.495(5) . ?
C25 C30 1.381(6) . ?
C25 C26 1.387(6) . ?
C26 C27 1.375(9) . ?
C27 C28 1.358(9) . ?
C28 C29 1.368(8) . ?
C29 C30 1.386(6) . ?
C31 C36 1.383(5) . ?
C31 C32 1.383(5) . ?
C32 C33 1.370(6) . ?
C33 C34 1.348(6) . ?
C34 C35 1.381(6) . ?
C35 C36 1.400(6) . ?
C37 C38 1.379(5) . ?
C37 C42 1.380(5) . ?
C38 C39 1.388(6) . ?
C39 C40 1.376(7) . ?
C40 C41 1.341(7) . ?
C41 C42 1.366(6) . ?
C43 C48 1.366(5) . ?
C43 C44 1.373(5) . ?
C44 C45 1.380(5) . ?
C45 C46 1.339(7) . ?
C46 C47 1.364(7) . ?
C47 C48 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 Ag P C37 -41.2(2) . . . . ?
N3 Ag P C37 163.4(2) . . . . ?
N1 Ag P C31 76.1(2) . . . . ?
N3 Ag P C31 -79.42(15) . . . . ?
N1 Ag P C43 -166.0(2) . . . . ?
N3 Ag P C43 38.5(2) . . . . ?
N3 Ag N1 C7 -96.3(3) . . . . ?
P Ag N1 C7 110.2(3) . . . . ?
N3 Ag N1 C1 80.6(3) . . . . ?
P Ag N1 C1 -72.8(3) . . . . ?
N1 Ag N3 C16 92.3(3) . . . . ?
P Ag N3 C16 -109.6(3) . . . . ?
N1 Ag N3 C17 -95.7(3) . . . . ?
P Ag N3 C17 62.4(3) . . . . ?
C7 N1 C1 C6 -0.1(4) . . . . ?
Ag N1 C1 C6 -177.5(2) . . . . ?
C7 N1 C1 C2 179.1(4) . . . . ?
Ag N1 C1 C2 1.6(5) . . . . ?
C6 C1 C2 C3 -0.1(5) . . . . ?
N1 C1 C2 C3 -179.1(4) . . . . ?
C1 C2 C3 C4 0.2(6) . . . . ?
C2 C3 C4 C5 -0.2(6) . . . . ?
C3 C4 C5 C6 0.2(6) . . . . ?
C7 N2 C6 C5 -179.2(4) . . . . ?
C7 N2 C6 C1 0.0(4) . . . . ?
C4 C5 C6 N2 178.9(4) . . . . ?
C4 C5 C6 C1 -0.2(6) . . . . ?
C2 C1 C6 N2 -179.2(3) . . . . ?
N1 C1 C6 N2 0.0(4) . . . . ?
C2 C1 C6 C5 0.1(5) . . . . ?
N1 C1 C6 C5 179.3(3) . . . . ?
C1 N1 C7 N2 0.1(4) . . . . ?
Ag N1 C7 N2 177.6(2) . . . . ?
C1 N1 C7 C8 178.1(3) . . . . ?
Ag N1 C7 C8 -4.4(5) . . . . ?
C6 N2 C7 N1 0.0(4) . . . . ?
C6 N2 C7 C8 -178.2(3) . . . . ?
N1 C7 C8 C9 14.7(5) . . . . ?
N2 C7 C8 C9 -167.5(3) . . . . ?
C7 C8 C9 C14 -123.4(4) . . . . ?
C7 C8 C9 C10 57.8(5) . . . . ?
C14 C9 C10 C11 0.7(5) . . . . ?
C8 C9 C10 C11 179.5(3) . . . . ?
C9 C10 C11 C12 -1.6(5) . . . . ?
C9 C10 C11 C15 176.6(3) . . . . ?
C10 C11 C12 C13 0.6(5) . . . . ?
C15 C11 C12 C13 -177.6(3) . . . . ?
C11 C12 C13 C14 1.3(6) . . . . ?
C11 C12 C13 C23 -178.1(3) . . . . ?
C10 C9 C14 C13 1.3(5) . . . . ?
C8 C9 C14 C13 -177.5(3) . . . . ?
C12 C13 C14 C9 -2.3(5) . . . . ?
C23 C13 C14 C9 177.1(3) . . . . ?
C10 C11 C15 C16 -73.3(5) . . . . ?
C12 C11 C15 C16 104.9(4) . . . . ?
C17 N3 C16 N4 -0.2(4) . . . . ?
Ag N3 C16 N4 172.8(2) . . . . ?
C17 N3 C16 C15 178.8(3) . . . . ?
Ag N3 C16 C15 -8.2(6) . . . . ?
C22 N4 C16 N3 -0.3(4) . . . . ?
C22 N4 C16 C15 -179.4(3) . . . . ?
C11 C15 C16 N3 11.0(6) . . . . ?
C11 C15 C16 N4 -170.0(3) . . . . ?
C16 N3 C17 C22 0.7(4) . . . . ?
Ag N3 C17 C22 -173.2(2) . . . . ?
C16 N3 C17 C18 -180.0(4) . . . . ?
Ag N3 C17 C18 6.1(5) . . . . ?
C22 C17 C18 C19 -1.4(6) . . . . ?
N3 C17 C18 C19 179.3(4) . . . . ?
C17 C18 C19 C20 0.7(7) . . . . ?
C18 C19 C20 C21 0.1(9) . . . . ?
C19 C20 C21 C22 -0.1(8) . . . . ?
C16 N4 C22 C17 0.6(4) . . . . ?
C16 N4 C22 C21 178.8(5) . . . . ?
C18 C17 C22 N4 179.8(4) . . . . ?
N3 C17 C22 N4 -0.8(4) . . . . ?
C18 C17 C22 C21 1.4(6) . . . . ?
N3 C17 C22 C21 -179.2(4) . . . . ?
C20 C21 C22 N4 -178.5(5) . . . . ?
C20 C21 C22 C17 -0.6(7) . . . . ?
C12 C13 C23 C24 90.7(5) . . . . ?
C14 C13 C23 C24 -88.7(5) . . . . ?
C30 N5 C24 N6 -0.4(4) . . . . ?
C30 N5 C24 C23 177.7(3) . . . . ?
C25 N6 C24 N5 0.1(4) . . . . ?
C25 N6 C24 C23 -178.1(3) . . . . ?
C13 C23 C24 N5 -89.2(5) . . . . ?
C13 C23 C24 N6 88.8(5) . . . . ?
C24 N6 C25 C30 0.3(4) . . . . ?
C24 N6 C25 C26 -178.6(4) . . . . ?
C30 C25 C26 C27 0.7(7) . . . . ?
N6 C25 C26 C27 179.4(5) . . . . ?
C25 C26 C27 C28 -1.3(9) . . . . ?
C26 C27 C28 C29 1.2(11) . . . . ?
C27 C28 C29 C30 -0.5(8) . . . . ?
N6 C25 C30 C29 -179.1(3) . . . . ?
C26 C25 C30 C29 0.0(6) . . . . ?
N6 C25 C30 N5 -0.6(4) . . . . ?
C26 C25 C30 N5 178.4(4) . . . . ?
C28 C29 C30 C25 -0.1(6) . . . . ?
C28 C29 C30 N5 -178.2(4) . . . . ?
C24 N5 C30 C25 0.6(4) . . . . ?
C24 N5 C30 C29 178.9(4) . . . . ?
C37 P C31 C36 -113.6(3) . . . . ?
C43 P C31 C36 -4.1(4) . . . . ?
Ag P C31 C36 121.0(3) . . . . ?
C37 P C31 C32 71.8(3) . . . . ?
C43 P C31 C32 -178.7(3) . . . . ?
Ag P C31 C32 -53.6(3) . . . . ?
C36 C31 C32 C33 -0.2(6) . . . . ?
P C31 C32 C33 174.8(3) . . . . ?
C31 C32 C33 C34 -0.5(7) . . . . ?
C32 C33 C34 C35 0.8(7) . . . . ?
C33 C34 C35 C36 -0.5(7) . . . . ?
C32 C31 C36 C35 0.4(6) . . . . ?
P C31 C36 C35 -174.1(3) . . . . ?
C34 C35 C36 C31 -0.1(6) . . . . ?
C31 P C37 C38 2.1(4) . . . . ?
C43 P C37 C38 -109.0(3) . . . . ?
Ag P C37 C38 119.8(3) . . . . ?
C31 P C37 C42 -173.9(3) . . . . ?
C43 P C37 C42 75.0(3) . . . . ?
Ag P C37 C42 -56.3(3) . . . . ?
C42 C37 C38 C39 -0.6(6) . . . . ?
P C37 C38 C39 -176.6(3) . . . . ?
C37 C38 C39 C40 -0.8(7) . . . . ?
C38 C39 C40 C41 1.3(8) . . . . ?
C39 C40 C41 C42 -0.4(9) . . . . ?
C40 C41 C42 C37 -1.0(8) . . . . ?
C38 C37 C42 C41 1.6(6) . . . . ?
P C37 C42 C41 177.8(4) . . . . ?
C37 P C43 C48 -131.0(4) . . . . ?
C31 P C43 C48 118.5(4) . . . . ?
Ag P C43 C48 0.6(4) . . . . ?
C37 P C43 C44 47.1(4) . . . . ?
C31 P C43 C44 -63.4(4) . . . . ?
Ag P C43 C44 178.6(3) . . . . ?
C48 C43 C44 C45 -2.4(7) . . . . ?
P C43 C44 C45 179.5(4) . . . . ?
C43 C44 C45 C46 1.7(8) . . . . ?
C44 C45 C46 C47 1.1(10) . . . . ?
C45 C46 C47 C48 -3.2(11) . . . . ?
C44 C43 C48 C47 0.3(8) . . . . ?
P C43 C48 C47 178.5(5) . . . . ?
C46 C47 C48 C43 2.5(10) . . . . ?
