#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/45/2014504.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_2014504
loop_
_publ_author_name
'Feazell, Rodney P.'
'Carson, Cody E.'
'Klausmeyer, Kevin K.'
_publ_section_title
;
 Self-assembly of a mixed-ligand silver-based coordination polymer
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m598
_journal_page_last               m600
_journal_paper_doi               10.1107/S0108270104025004
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac
'[Ag4 (C18 H17 N2 P1)2 (C30 H26 N2 P2)2 (C2 H3 N1)4] (B F4)4, 3C2 H3 N'
_chemical_formula_moiety         'C104 H98 Ag4 N12 P6 4+, 4B F4 -, 6C2 H3 N'
_chemical_formula_sum            'C116 H116 Ag4 B4 F16 N16 P6'
_chemical_formula_weight         2726.80
_chemical_name_systematic
;
catena-poly[[[acetonitrilesilver(I)]-di-μ-4-[N-
(diphenylphosphino)aminomethyl]pyridine-κ²N¹:P;κ²P:N¹-
[acetonitrilesilver(I)]-μ₃-
4-[N,N-bis(diphenylphosphino)aminomethyl]pyridine-κ³N¹:P:P'-
bis[acetonitrilesilver(I)(Ag---Ag)]-μ₃-4-[N,N-
bis(diphenylphosphino)aminomethyl]pyridine-κ³P:P':N¹]
tetrakis(tetrafluoroborate) acetonitrile trisolvate]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.085(2)
_cell_angle_beta                 104.690(2)
_cell_angle_gamma                101.691(3)
_cell_formula_units_Z            1
_cell_length_a                   13.2233(8)
_cell_length_b                   14.6535(11)
_cell_length_c                   16.7275(12)
_cell_measurement_reflns_used    5178
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      25.60
_cell_measurement_theta_min      2.35
_cell_volume                     3017.6(4)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker,2003)'
_computing_data_reduction        'SAINT-PLUS (Bruker,2003)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2000)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker X8 APEX CCD area detector'
_diffrn_measurement_method       'φ and ω 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  0.0533
_diffrn_reflns_av_sigmaI/netI    0.0724
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            32743
_diffrn_reflns_theta_full        26.41
_diffrn_reflns_theta_max         26.41
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    0.799
_exptl_absorpt_correction_T_max  0.9559
_exptl_absorpt_correction_T_min  0.8991
_exptl_absorpt_correction_type   'multi-scan (SADABS; Sheldrick, 1996)'
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.501
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelpiped
_exptl_crystal_F_000             1380
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.556
_refine_diff_density_min         -0.565
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     748
_refine_ls_number_reflns         12262
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0647
_refine_ls_R_factor_gt           0.0377
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0191P)²+1.5905P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0735
_refine_ls_wR_factor_ref         0.0810
_reflns_number_gt                8973
_reflns_number_total             12262
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hj1026.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (8 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (8 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2014504
_cod_database_fobs_code          2014504
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.257495(19) 0.620771(17) 0.091629(15) 0.01907(7) Uani d . 1 . . Ag
Ag2 0.038645(18) 1.090798(17) 0.469909(15) 0.01632(7) Uani d . 1 . . Ag
N1 0.2560(2) 0.6736(2) -0.10425(17) 0.0191(6) Uani d D 1 . . N
H1 0.279(3) 0.706(2) -0.1347(19) 0.030(11) Uiso d D 1 . . H
N2 -0.0904(2) 0.44917(18) -0.10172(16) 0.0191(6) Uani d . 1 . . N
N3 0.18475(19) 0.92324(18) 0.44893(15) 0.0143(6) Uani d . 1 . . N
N4 0.2921(2) 0.72002(19) 0.22606(16) 0.0193(6) Uani d . 1 . . N
N5 0.3363(2) 0.5097(2) 0.16511(18) 0.0285(7) Uani d . 1 . . N
N6 -0.0668(2) 1.0881(2) 0.33601(18) 0.0247(7) Uani d . 1 . . N
N7 0.3122(3) 0.4941(3) 0.4160(3) 0.0644(12) Uani d . 1 . . N
N8 0.5739(4) 0.5756(3) 0.3770(3) 0.0763(14) Uani d . 1 . . N
N9 0.1468(3) 0.2685(2) 0.4568(2) 0.0397(8) Uani d . 1 . . N
P1 0.32959(6) 0.70034(6) -0.00295(5) 0.01605(18) Uani d . 1 . . P
P2 0.20609(6) 1.04305(6) 0.47491(5) 0.01434(17) Uani d . 1 . . P
P3 0.05239(6) 0.86031(6) 0.42751(5) 0.01416(17) Uani d . 1 . . P
B1 0.0904(3) 0.2000(3) 0.0825(3) 0.0238(9) Uani d . 1 . . B
B2 0.6903(3) 0.2583(3) 0.2907(3) 0.0247(9) Uani d . 1 . . B
F1 0.13713(18) 0.13086(16) 0.05474(14) 0.0452(6) Uani d . 1 . . F
F2 0.03382(19) 0.23233(17) 0.01449(13) 0.0497(6) Uani d . 1 . . F
F3 0.17106(15) 0.27536(14) 0.13528(13) 0.0371(5) Uani d . 1 . . F
F4 0.02184(19) 0.16616(19) 0.12762(15) 0.0628(8) Uani d . 1 . . F
F5 0.6432(2) 0.33251(18) 0.30028(17) 0.0640(8) Uani d . 1 . . F
F6 0.68971(16) 0.20822(17) 0.35520(14) 0.0502(7) Uani d . 1 . . F
F7 0.79607(15) 0.29258(15) 0.29025(12) 0.0371(5) Uani d . 1 . . F
F8 0.63338(16) 0.19828(16) 0.21421(13) 0.0410(6) Uani d . 1 . . F
C1 0.2115(3) 0.5738(2) -0.1442(2) 0.0214(7) Uani d . 1 . . C
H1A 0.2640 0.5380 -0.1243 0.026 Uiso calc R 1 . . H
H1B 0.1989 0.5684 -0.2045 0.026 Uiso calc R 1 . . H
C2 0.1070(2) 0.5307(2) -0.12661(19) 0.0183(7) Uani d . 1 . . C
C3 0.0335(2) 0.5844(2) -0.11886(19) 0.0182(7) Uani d . 1 . . C
H3 0.0490 0.6486 -0.1217 0.022 Uiso calc R 1 . . H
C4 -0.0634(2) 0.5408(2) -0.10688(19) 0.0187(7) Uani d . 1 . . C
H4 -0.1123 0.5772 -0.1022 0.022 Uiso calc R 1 . . H
C5 -0.0187(2) 0.3981(2) -0.1085(2) 0.0207(7) Uani d . 1 . . C
H5 -0.0356 0.3343 -0.1044 0.025 Uiso calc R 1 . . H
C6 0.0792(2) 0.4358(2) -0.12116(19) 0.0189(7) Uani d . 1 . . C
H6 0.1263 0.3976 -0.1260 0.023 Uiso calc R 1 . . H
C7 0.3351(2) 0.8257(2) 0.02146(19) 0.0160(7) Uani d . 1 . . C
C8 0.4307(3) 0.8970(2) 0.05331(19) 0.0196(7) Uani d . 1 . . C
H8 0.4969 0.8821 0.0590 0.023 Uiso calc R 1 . . H
C9 0.4264(3) 0.9907(2) 0.0766(2) 0.0255(8) Uani d . 1 . . C
H9 0.4900 1.0380 0.0980 0.031 Uiso calc R 1 . . H
C10 0.3284(3) 1.0138(2) 0.0681(2) 0.0264(8) Uani d . 1 . . C
H10 0.3261 1.0764 0.0832 0.032 Uiso calc R 1 . . H
C11 0.2329(3) 0.9430(3) 0.0369(2) 0.0263(8) Uani d . 1 . . C
H11 0.1669 0.9583 0.0312 0.032 Uiso calc R 1 . . H
C12 0.2364(3) 0.8507(2) 0.01463(19) 0.0200(7) Uani d . 1 . . C
H12 0.1724 0.8038 -0.0054 0.024 Uiso calc R 1 . . H
C13 0.4664(2) 0.6921(2) 0.0014(2) 0.0188(7) Uani d . 1 . . C
C14 0.5220(3) 0.7311(2) -0.0519(2) 0.0262(8) Uani d . 1 . . C
H14 0.4899 0.7654 -0.0898 0.031 Uiso calc R 1 . . H
C15 0.6235(3) 0.7196(3) -0.0492(2) 0.0305(9) Uani d . 1 . . C
H15 0.6599 0.7471 -0.0845 0.037 Uiso calc R 1 . . H
C16 0.6716(3) 0.6671(3) 0.0057(2) 0.0337(9) Uani d . 1 . . C
H16 0.7397 0.6585 0.0069 0.040 Uiso calc R 1 . . H
C17 0.6177(3) 0.6277(3) 0.0586(3) 0.0423(11) Uani d . 1 . . C
H17 0.6496 0.5925 0.0958 0.051 Uiso calc R 1 . . H
C18 0.5159(3) 0.6404(3) 0.0567(2) 0.0293(9) Uani d . 1 . . C
H18 0.4805 0.6139 0.0929 0.035 Uiso calc R 1 . . H
C19 0.2779(2) 0.8781(2) 0.45709(19) 0.0165(7) Uani d . 1 . . C
H19A 0.2738 0.8347 0.4961 0.020 Uiso calc R 1 . . H
H19B 0.3440 0.9272 0.4816 0.020 Uiso calc R 1 . . H
C20 0.2849(2) 0.8246(2) 0.37623(19) 0.0150(7) Uani d . 1 . . C
C21 0.3009(2) 0.8689(2) 0.3095(2) 0.0187(7) Uani d . 1 . . C
H21 0.3103 0.9342 0.3142 0.022 Uiso calc R 1 . . H
C22 0.3025(2) 0.8142(2) 0.2366(2) 0.0198(7) Uani d . 1 . . C
H22 0.3114 0.8443 0.1922 0.024 Uiso calc R 1 . . H
C23 0.2817(3) 0.6790(2) 0.2914(2) 0.0230(8) Uani d . 1 . . C
H23 0.2764 0.6141 0.2862 0.028 Uiso calc R 1 . . H
C24 0.2783(2) 0.7282(2) 0.3664(2) 0.0194(7) Uani d . 1 . . C
H24 0.2717 0.6965 0.4103 0.023 Uiso calc R 1 . . H
C25 0.2842(2) 1.0895(2) 0.40690(19) 0.0163(7) Uani d . 1 . . C
C26 0.3963(2) 1.1041(2) 0.4273(2) 0.0202(7) Uani d . 1 . . C
H26 0.4349 1.0976 0.4802 0.024 Uiso calc R 1 . . H
C27 0.4500(3) 1.1284(2) 0.3689(2) 0.0245(8) Uani d . 1 . . C
H27 0.5245 1.1378 0.3827 0.029 Uiso calc R 1 . . H
C28 0.3931(3) 1.1386(2) 0.2899(2) 0.0268(8) Uani d . 1 . . C
H28 0.4293 1.1544 0.2507 0.032 Uiso calc R 1 . . H
C29 0.2824(3) 1.1255(2) 0.2695(2) 0.0246(8) Uani d . 1 . . C
H29 0.2444 1.1327 0.2166 0.030 Uiso calc R 1 . . H
C30 0.2276(2) 1.1013(2) 0.3279(2) 0.0185(7) Uani d . 1 . . C
H30 0.1533 1.0929 0.3141 0.022 Uiso calc R 1 . . H
C31 0.3019(2) 1.0801(2) 0.57932(19) 0.0172(7) Uani d . 1 . . C
C32 0.3178(2) 1.0172(2) 0.6351(2) 0.0213(7) Uani d . 1 . . C
H32 0.2826 0.9533 0.6184 0.026 Uiso calc R 1 . . H
C33 0.3869(3) 1.0513(3) 0.7159(2) 0.0263(8) Uani d . 1 . . C
H33 0.3991 1.0094 0.7528 0.032 Uiso calc R 1 . . H
C34 0.4374(3) 1.1456(3) 0.7421(2) 0.0299(9) Uani d . 1 . . C
H34 0.4829 1.1673 0.7965 0.036 Uiso calc R 1 . . H
C35 0.4209(3) 1.2087(3) 0.6877(2) 0.0286(8) Uani d . 1 . . C
H35 0.4554 1.2726 0.7057 0.034 Uiso calc R 1 . . H
C36 0.3526(2) 1.1766(2) 0.6060(2) 0.0227(8) Uani d . 1 . . C
H36 0.3409 1.2190 0.5697 0.027 Uiso calc R 1 . . H
C37 0.0598(2) 0.7376(2) 0.4263(2) 0.0179(7) Uani d . 1 . . C
C38 0.0953(2) 0.7097(2) 0.5037(2) 0.0203(7) Uani d . 1 . . C
H38 0.1131 0.7533 0.5535 0.024 Uiso calc R 1 . . H
C39 0.1039(3) 0.6178(2) 0.5063(2) 0.0242(8) Uani d . 1 . . C
H39 0.1293 0.6001 0.5578 0.029 Uiso calc R 1 . . H
C40 0.0750(3) 0.5517(2) 0.4326(2) 0.0277(8) Uani d . 1 . . C
H40 0.0808 0.4898 0.4346 0.033 Uiso calc R 1 . . H
C41 0.0372(3) 0.5783(2) 0.3559(2) 0.0254(8) Uani d . 1 . . C
H41 0.0170 0.5338 0.3065 0.030 Uiso calc R 1 . . H
C42 0.0294(2) 0.6704(2) 0.3524(2) 0.0222(8) Uani d . 1 . . C
H42 0.0040 0.6877 0.3007 0.027 Uiso calc R 1 . . H
C43 -0.0154(2) 0.8606(2) 0.31859(19) 0.0170(7) Uani d . 1 . . C
C44 0.0384(3) 0.8844(2) 0.2596(2) 0.0212(7) Uani d . 1 . . C
H44 0.1132 0.9044 0.2763 0.025 Uiso calc R 1 . . H
C45 -0.0184(3) 0.8786(3) 0.1763(2) 0.0272(8) Uani d . 1 . . C
H45 0.0182 0.8945 0.1373 0.033 Uiso calc R 1 . . H
C46 -0.1291(3) 0.8494(3) 0.1516(2) 0.0311(9) Uani d . 1 . . C
H46 -0.1674 0.8451 0.0958 0.037 Uiso calc R 1 . . H
C47 -0.1836(3) 0.8264(3) 0.2094(2) 0.0304(9) Uani d . 1 . . C
H47 -0.2584 0.8064 0.1922 0.036 Uiso calc R 1 . . H
C48 -0.1279(2) 0.8328(2) 0.2927(2) 0.0212(7) Uani d . 1 . . C
H48 -0.1654 0.8187 0.3315 0.025 Uiso calc R 1 . . H
C49 0.3636(3) 0.4570(2) 0.2043(2) 0.0264(8) Uani d . 1 . . C
C50 0.3979(3) 0.3889(3) 0.2559(2) 0.0385(10) Uani d . 1 . . C
H50A 0.4050 0.4125 0.3136 0.058 Uiso calc R 1 . . H
H50B 0.4661 0.3802 0.2505 0.058 Uiso calc R 1 . . H
H50C 0.3452 0.3293 0.2373 0.058 Uiso calc R 1 . . H
C51 -0.1174(3) 1.0846(2) 0.2691(2) 0.0231(8) Uani d . 1 . . C
C52 -0.1806(3) 1.0812(3) 0.1834(2) 0.0321(9) Uani d . 1 . . C
H52A -0.2130 1.1341 0.1815 0.048 Uiso calc R 1 . . H
H52B -0.2360 1.0232 0.1648 0.048 Uiso calc R 1 . . H
H52C -0.1344 1.0838 0.1472 0.048 Uiso calc R 1 . . H
C53 0.3770(4) 0.5547(3) 0.4630(3) 0.0455(11) Uani d . 1 . . C
C54 0.4577(4) 0.6332(3) 0.5205(3) 0.0571(13) Uani d . 1 . . C
H54A 0.4727 0.6845 0.4914 0.086 Uiso calc R 1 . . H
H54B 0.5225 0.6131 0.5419 0.086 Uiso calc R 1 . . H
H54C 0.4314 0.6539 0.5663 0.086 Uiso calc R 1 . . H
C55 0.6578(4) 0.5711(3) 0.3707(3) 0.0540(12) Uani d . 1 . . C
C56 0.7613(4) 0.5659(4) 0.3633(3) 0.0742(16) Uani d . 1 . . C
H56A 0.7660 0.5010 0.3572 0.111 Uiso calc R 1 . . H
H56B 0.8157 0.6024 0.4128 0.111 Uiso calc R 1 . . H
H56C 0.7723 0.5909 0.3149 0.111 Uiso calc R 1 . . H
C57 0.1200(3) 0.2906(2) 0.3921(3) 0.0309(9) Uani d . 1 . . C
C58 0.0844(3) 0.3173(3) 0.3112(2) 0.0411(10) Uani d . 1 . . C
H58A 0.0856 0.2685 0.2678 0.062 Uiso calc R 1 . . H
H58B 0.1315 0.3758 0.3097 0.062 Uiso calc R 1 . . H
H58C 0.0123 0.3252 0.3024 0.062 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'
B B 0.0013 0.0007 '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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N2 Ag1 P1 2_565 . 137.72(7) y
N2 Ag1 N5 2_565 . 91.09(9) y
P1 Ag1 N5 . . 123.89(7) y
N2 Ag1 N4 2_565 . 88.78(9) y
P1 Ag1 N4 . . 113.03(6) y
N5 Ag1 N4 . . 87.89(9) y
N6 Ag2 P2 . . 114.45(7) y
N6 Ag2 P3 . 2_576 109.33(7) y
P2 Ag2 P3 . 2_576 136.21(3) y
N6 Ag2 Ag2 . 2_576 110.36(7) y
P2 Ag2 Ag2 . 2_576 87.66(2) y
P3 Ag2 Ag2 2_576 2_576 76.18(2) y
C1 N1 P1 . . 118.9(2) ?
C1 N1 H1 . . 113(3) ?
P1 N1 H1 . . 115(3) ?
C4 N2 C5 . . 117.2(3) ?
C4 N2 Ag1 . 2_565 121.6(2) ?
C5 N2 Ag1 . 2_565 121.1(2) ?
C19 N3 P2 . . 120.53(19) ?
C19 N3 P3 . . 123.8(2) ?
P2 N3 P3 . . 115.08(14) ?
C23 N4 C22 . . 116.7(3) ?
C23 N4 Ag1 . . 118.6(2) ?
C22 N4 Ag1 . . 123.5(2) ?
C49 N5 Ag1 . . 171.6(3) ?
C51 N6 Ag2 . . 177.9(3) ?
N1 P1 C7 . . 100.97(14) ?
N1 P1 C13 . . 108.00(14) ?
C7 P1 C13 . . 106.34(14) ?
N1 P1 Ag1 . . 116.89(10) ?
C7 P1 Ag1 . . 109.48(10) ?
C13 P1 Ag1 . . 113.92(11) ?
N3 P2 C31 . . 107.18(14) ?
N3 P2 C25 . . 104.23(13) ?
C31 P2 C25 . . 103.23(14) ?
N3 P2 Ag2 . . 111.85(8) ?
C31 P2 Ag2 . . 111.73(10) ?
C25 P2 Ag2 . . 117.71(10) ?
N3 P3 C43 . . 107.69(13) ?
N3 P3 C37 . . 104.60(13) ?
C43 P3 C37 . . 103.12(14) ?
N3 P3 Ag2 . 2_576 114.26(9) ?
C43 P3 Ag2 . 2_576 115.57(10) ?
C37 P3 Ag2 . 2_576 110.48(10) ?
F4 B1 F1 . . 111.3(3) ?
F4 B1 F2 . . 109.5(3) ?
F1 B1 F2 . . 109.9(3) ?
F4 B1 F3 . . 107.8(3) ?
F1 B1 F3 . . 109.0(3) ?
F2 B1 F3 . . 109.2(3) ?
F5 B2 F6 . . 110.8(3) ?
F5 B2 F7 . . 109.6(3) ?
F6 B2 F7 . . 109.2(3) ?
F5 B2 F8 . . 108.9(3) ?
F6 B2 F8 . . 109.4(3) ?
F7 B2 F8 . . 108.9(3) ?
N1 C1 C2 . . 113.0(3) ?
N1 C1 H1A . . 109.0 ?
C2 C1 H1A . . 109.0 ?
N1 C1 H1B . . 109.0 ?
C2 C1 H1B . . 109.0 ?
H1A C1 H1B . . 107.8 ?
C6 C2 C3 . . 117.6(3) ?
C6 C2 C1 . . 121.4(3) ?
C3 C2 C1 . . 120.9(3) ?
C4 C3 C2 . . 118.8(3) ?
C4 C3 H3 . . 120.6 ?
C2 C3 H3 . . 120.6 ?
N2 C4 C3 . . 123.6(3) ?
N2 C4 H4 . . 118.2 ?
C3 C4 H4 . . 118.2 ?
N2 C5 C6 . . 122.9(3) ?
N2 C5 H5 . . 118.6 ?
C6 C5 H5 . . 118.6 ?
C5 C6 C2 . . 119.8(3) ?
C5 C6 H6 . . 120.1 ?
C2 C6 H6 . . 120.1 ?
C8 C7 C12 . . 118.6(3) ?
C8 C7 P1 . . 124.3(2) ?
C12 C7 P1 . . 116.9(2) ?
C9 C8 C7 . . 119.9(3) ?
C9 C8 H8 . . 120.1 ?
C7 C8 H8 . . 120.1 ?
C10 C9 C8 . . 120.5(3) ?
C10 C9 H9 . . 119.7 ?
C8 C9 H9 . . 119.7 ?
C9 C10 C11 . . 119.9(3) ?
C9 C10 H10 . . 120.1 ?
C11 C10 H10 . . 120.1 ?
C12 C11 C10 . . 120.0(3) ?
C12 C11 H11 . . 120.0 ?
C10 C11 H11 . . 120.0 ?
C11 C12 C7 . . 121.2(3) ?
C11 C12 H12 . . 119.4 ?
C7 C12 H12 . . 119.4 ?
C18 C13 C14 . . 118.0(3) ?
C18 C13 P1 . . 119.0(2) ?
C14 C13 P1 . . 122.9(2) ?
C15 C14 C13 . . 121.2(3) ?
C15 C14 H14 . . 119.4 ?
C13 C14 H14 . . 119.4 ?
C14 C15 C16 . . 120.2(3) ?
C14 C15 H15 . . 119.9 ?
C16 C15 H15 . . 119.9 ?
C17 C16 C15 . . 119.5(3) ?
C17 C16 H16 . . 120.3 ?
C15 C16 H16 . . 120.3 ?
C16 C17 C18 . . 120.3(3) ?
C16 C17 H17 . . 119.9 ?
C18 C17 H17 . . 119.9 ?
C17 C18 C13 . . 120.9(3) ?
C17 C18 H18 . . 119.6 ?
C13 C18 H18 . . 119.6 ?
N3 C19 C20 . . 115.6(2) ?
N3 C19 H19A . . 108.4 ?
C20 C19 H19A . . 108.4 ?
N3 C19 H19B . . 108.4 ?
C20 C19 H19B . . 108.4 ?
H19A C19 H19B . . 107.4 ?
C24 C20 C21 . . 116.9(3) ?
C24 C20 C19 . . 120.4(3) ?
C21 C20 C19 . . 122.6(3) ?
C22 C21 C20 . . 118.9(3) ?
C22 C21 H21 . . 120.5 ?
C20 C21 H21 . . 120.5 ?
N4 C22 C21 . . 123.9(3) ?
N4 C22 H22 . . 118.1 ?
C21 C22 H22 . . 118.1 ?
N4 C23 C24 . . 123.2(3) ?
N4 C23 H23 . . 118.4 ?
C24 C23 H23 . . 118.4 ?
C20 C24 C23 . . 120.2(3) ?
C20 C24 H24 . . 119.9 ?
C23 C24 H24 . . 119.9 ?
C30 C25 C26 . . 119.3(3) ?
C30 C25 P2 . . 117.7(2) ?
C26 C25 P2 . . 122.7(2) ?
C27 C26 C25 . . 120.2(3) ?
C27 C26 H26 . . 119.9 ?
C25 C26 H26 . . 119.9 ?
C26 C27 C28 . . 120.3(3) ?
C26 C27 H27 . . 119.8 ?
C28 C27 H27 . . 119.8 ?
C29 C28 C27 . . 119.9(3) ?
C29 C28 H28 . . 120.0 ?
C27 C28 H28 . . 120.0 ?
C28 C29 C30 . . 120.2(3) ?
C28 C29 H29 . . 119.9 ?
C30 C29 H29 . . 119.9 ?
C25 C30 C29 . . 120.1(3) ?
C25 C30 H30 . . 120.0 ?
C29 C30 H30 . . 120.0 ?
C32 C31 C36 . . 119.9(3) ?
C32 C31 P2 . . 122.1(2) ?
C36 C31 P2 . . 117.7(2) ?
C33 C32 C31 . . 119.3(3) ?
C33 C32 H32 . . 120.4 ?
C31 C32 H32 . . 120.4 ?
C34 C33 C32 . . 121.0(3) ?
C34 C33 H33 . . 119.5 ?
C32 C33 H33 . . 119.5 ?
C33 C34 C35 . . 120.2(3) ?
C33 C34 H34 . . 119.9 ?
C35 C34 H34 . . 119.9 ?
C34 C35 C36 . . 120.3(3) ?
C34 C35 H35 . . 119.9 ?
C36 C35 H35 . . 119.9 ?
C35 C36 C31 . . 119.4(3) ?
C35 C36 H36 . . 120.3 ?
C31 C36 H36 . . 120.3 ?
C42 C37 C38 . . 119.2(3) ?
C42 C37 P3 . . 122.9(2) ?
C38 C37 P3 . . 117.9(2) ?
C39 C38 C37 . . 120.2(3) ?
C39 C38 H38 . . 119.9 ?
C37 C38 H38 . . 119.9 ?
C38 C39 C40 . . 120.3(3) ?
C38 C39 H39 . . 119.8 ?
C40 C39 H39 . . 119.8 ?
C39 C40 C41 . . 119.7(3) ?
C39 C40 H40 . . 120.2 ?
C41 C40 H40 . . 120.2 ?
C42 C41 C40 . . 120.5(3) ?
C42 C41 H41 . . 119.7 ?
C40 C41 H41 . . 119.7 ?
C41 C42 C37 . . 120.0(3) ?
C41 C42 H42 . . 120.0 ?
C37 C42 H42 . . 120.0 ?
C44 C43 C48 . . 118.7(3) ?
C44 C43 P3 . . 123.8(2) ?
C48 C43 P3 . . 117.5(2) ?
C45 C44 C43 . . 120.8(3) ?
C45 C44 H44 . . 119.6 ?
C43 C44 H44 . . 119.6 ?
C46 C45 C44 . . 119.7(3) ?
C46 C45 H45 . . 120.1 ?
C44 C45 H45 . . 120.1 ?
C45 C46 C47 . . 120.2(3) ?
C45 C46 H46 . . 119.9 ?
C47 C46 H46 . . 119.9 ?
C46 C47 C48 . . 120.6(3) ?
C46 C47 H47 . . 119.7 ?
C48 C47 H47 . . 119.7 ?
C47 C48 C43 . . 120.1(3) ?
C47 C48 H48 . . 120.0 ?
C43 C48 H48 . . 120.0 ?
N5 C49 C50 . . 179.1(4) ?
C49 C50 H50A . . 109.5 ?
C49 C50 H50B . . 109.5 ?
H50A C50 H50B . . 109.5 ?
C49 C50 H50C . . 109.5 ?
H50A C50 H50C . . 109.5 ?
H50B C50 H50C . . 109.5 ?
N6 C51 C52 . . 179.0(4) ?
C51 C52 H52A . . 109.5 ?
C51 C52 H52B . . 109.5 ?
H52A C52 H52B . . 109.5 ?
C51 C52 H52C . . 109.5 ?
H52A C52 H52C . . 109.5 ?
H52B C52 H52C . . 109.5 ?
N7 C53 C54 . . 178.2(5) ?
C53 C54 H54A . . 109.5 ?
C53 C54 H54B . . 109.5 ?
H54A C54 H54B . . 109.5 ?
C53 C54 H54C . . 109.5 ?
H54A C54 H54C . . 109.5 ?
H54B C54 H54C . . 109.5 ?
N8 C55 C56 . . 179.7(7) ?
C55 C56 H56A . . 109.5 ?
C55 C56 H56B . . 109.5 ?
H56A C56 H56B . . 109.5 ?
C55 C56 H56C . . 109.5 ?
H56A C56 H56C . . 109.5 ?
H56B C56 H56C . . 109.5 ?
N9 C57 C58 . . 178.8(4) ?
C57 C58 H58A . . 109.5 ?
C57 C58 H58B . . 109.5 ?
H58A C58 H58B . . 109.5 ?
C57 C58 H58C . . 109.5 ?
H58A C58 H58C . . 109.5 ?
H58B C58 H58C . . 109.5 ?
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 N2 2_565 2.297(3) y
Ag1 P1 . 2.3540(8) y
Ag1 N5 . 2.403(3) y
Ag1 N4 . 2.405(3) y
Ag2 N6 . 2.309(3) y
Ag2 P2 . 2.4387(8) y
Ag2 P3 2_576 2.4496(8) y
Ag2 Ag2 2_576 3.0363(5) y
N1 C1 . 1.464(4) ?
N1 P1 . 1.679(3) ?
N1 H1 . 0.810(18) ?
N2 C4 . 1.337(4) ?
N2 C5 . 1.339(4) ?
N2 Ag1 2_565 2.297(3) ?
N3 C19 . 1.496(4) ?
N3 P2 . 1.703(3) ?
N3 P3 . 1.729(2) ?
N4 C23 . 1.334(4) ?
N4 C22 . 1.343(4) ?
N5 C49 . 1.130(4) ?
N6 C51 . 1.139(4) ?
N7 C53 . 1.149(5) ?
N8 C55 . 1.154(6) ?
N9 C57 . 1.157(5) ?
P1 C7 . 1.815(3) ?
P1 C13 . 1.821(3) ?
P2 C31 . 1.821(3) ?
P2 C25 . 1.824(3) ?
P3 C43 . 1.816(3) ?
P3 C37 . 1.819(3) ?
P3 Ag2 2_576 2.4496(8) ?
B1 F4 . 1.377(4) ?
B1 F1 . 1.381(4) ?
B1 F2 . 1.386(4) ?
B1 F3 . 1.394(4) ?
B2 F5 . 1.370(5) ?
B2 F6 . 1.378(4) ?
B2 F7 . 1.389(4) ?
B2 F8 . 1.394(4) ?
C1 C2 . 1.514(4) ?
C1 H1A . 0.9700 ?
C1 H1B . 0.9700 ?
C2 C6 . 1.385(4) ?
C2 C3 . 1.390(4) ?
C3 C4 . 1.386(4) ?
C3 H3 . 0.9300 ?
C4 H4 . 0.9300 ?
C5 C6 . 1.380(4) ?
C5 H5 . 0.9300 ?
C6 H6 . 0.9300 ?
C7 C8 . 1.400(4) ?
C7 C12 . 1.407(4) ?
C8 C9 . 1.397(4) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.382(5) ?
C9 H9 . 0.9300 ?
C10 C11 . 1.395(5) ?
C10 H10 . 0.9300 ?
C11 C12 . 1.370(5) ?
C11 H11 . 0.9300 ?
C12 H12 . 0.9300 ?
C13 C18 . 1.388(4) ?
C13 C14 . 1.397(4) ?
C14 C15 . 1.377(5) ?
C14 H14 . 0.9300 ?
C15 C16 . 1.383(5) ?
C15 H15 . 0.9300 ?
C16 C17 . 1.381(5) ?
C16 H16 . 0.9300 ?
C17 C18 . 1.388(5) ?
C17 H17 . 0.9300 ?
C18 H18 . 0.9300 ?
C19 C20 . 1.511(4) ?
C19 H19A . 0.9700 ?
C19 H19B . 0.9700 ?
C20 C24 . 1.383(4) ?
C20 C21 . 1.398(4) ?
C21 C22 . 1.383(4) ?
C21 H21 . 0.9300 ?
C22 H22 . 0.9300 ?
C23 C24 . 1.384(4) ?
C23 H23 . 0.9300 ?
C24 H24 . 0.9300 ?
C25 C30 . 1.394(4) ?
C25 C26 . 1.398(4) ?
C26 C27 . 1.386(4) ?
C26 H26 . 0.9300 ?
C27 C28 . 1.388(5) ?
C27 H27 . 0.9300 ?
C28 C29 . 1.382(5) ?
C28 H28 . 0.9300 ?
C29 C30 . 1.395(4) ?
C29 H29 . 0.9300 ?
C30 H30 . 0.9300 ?
C31 C32 . 1.398(4) ?
C31 C36 . 1.399(4) ?
C32 C33 . 1.391(4) ?
C32 H32 . 0.9300 ?
C33 C34 . 1.369(5) ?
C33 H33 . 0.9300 ?
C34 C35 . 1.385(5) ?
C34 H34 . 0.9300 ?
C35 C36 . 1.395(4) ?
C35 H35 . 0.9300 ?
C36 H36 . 0.9300 ?
C37 C42 . 1.396(4) ?
C37 C38 . 1.400(4) ?
C38 C39 . 1.380(4) ?
C38 H38 . 0.9300 ?
C39 C40 . 1.385(5) ?
C39 H39 . 0.9300 ?
C40 C41 . 1.387(5) ?
C40 H40 . 0.9300 ?
C41 C42 . 1.382(4) ?
C41 H41 . 0.9300 ?
C42 H42 . 0.9300 ?
C43 C44 . 1.393(4) ?
C43 C48 . 1.397(4) ?
C44 C45 . 1.389(4) ?
C44 H44 . 0.9300 ?
C45 C46 . 1.376(5) ?
C45 H45 . 0.9300 ?
C46 C47 . 1.378(5) ?
C46 H46 . 0.9300 ?
C47 C48 . 1.382(4) ?
C47 H47 . 0.9300 ?
C48 H48 . 0.9300 ?
C49 C50 . 1.464(5) ?
C50 H50A . 0.9600 ?
C50 H50B . 0.9600 ?
C50 H50C . 0.9600 ?
C51 C52 . 1.453(5) ?
C52 H52A . 0.9600 ?
C52 H52B . 0.9600 ?
C52 H52C . 0.9600 ?
C53 C54 . 1.447(6) ?
C54 H54A . 0.9600 ?
C54 H54B . 0.9600 ?
C54 H54C . 0.9600 ?
C55 C56 . 1.422(6) ?
C56 H56A . 0.9600 ?
C56 H56B . 0.9600 ?
C56 H56C . 0.9600 ?
C57 C58 . 1.445(5) ?
C58 H58A . 0.9600 ?
C58 H58B . 0.9600 ?
C58 H58C . 0.9600 ?
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
N1 H1 F7 2_665 0.810(18) 2.54(3) 3.136(3) 131(3)
N1 H1 F8 2_665 0.810(18) 2.381(19) 3.186(3) 173(3)
