#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/30/2203039.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_2203039
loop_
_publ_author_name
'Yingzhong Shen'
'Hans Pritzkow'
'Bernhard Walfort'
'Tobias Rüffer'
'Heinrich Lang'
_publ_section_title
;
 P(C₆H₄CH₂NMe₂-2)₃-stabilized mononuclear
 pentafluoropropionatosilver(I)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m91
_journal_page_last               m93
_journal_paper_doi               10.1107/S1600536803028320
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Ag (C3 F5 O2) (C27 H36 N3 P)]'
_chemical_formula_moiety         'C30 H36 Ag F5 N3 O2 P'
_chemical_formula_sum            'C30 H36 Ag F5 N3 O2 P'
_chemical_formula_weight         704.46
_chemical_name_systematic
(Pentafluoropropionato){tris[2-(dimethylaminomethyl)phenyl]phosphine}silver(I)
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 106.5670(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.8535(7)
_cell_length_b                   14.8719(6)
_cell_length_c                   26.0014(11)
_cell_measurement_reflns_used    8602
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      31.2
_cell_measurement_theta_min      2.2
_cell_volume                     6246.5(4)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2001)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measurement_device_type  'Bruker 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  0.0356
_diffrn_reflns_av_sigmaI/netI    0.0261
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            105617
_diffrn_reflns_theta_max         32.02
_diffrn_reflns_theta_min         1.59
_exptl_absorpt_coefficient_mu    0.758
_exptl_absorpt_correction_T_max  0.827
_exptl_absorpt_correction_T_min  0.775
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2001)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             2880
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.21
_refine_diff_density_min         -0.45
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1054
_refine_ls_number_reflns         21437
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.0460
_refine_ls_R_factor_gt           0.0330
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0303P)²+6.2345P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0731
_refine_ls_wR_factor_ref         0.0804
_reflns_number_gt                17914
_reflns_number_total             21437
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            br6130.cif
_cod_data_source_block           3
_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               2203039
_cod_database_fobs_code          2203039
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 0.414830(8) 0.320664(9) 0.636157(5) 0.01734(3) Uani d . 1 . . Ag
Ag2 0.129597(8) 0.729055(9) 0.633881(5) 0.01615(3) Uani d . 1 . . Ag
P1 0.38391(3) 0.29310(3) 0.540969(16) 0.01345(7) Uani d . 1 . . P
P2 0.10642(3) 0.79331(3) 0.712572(16) 0.01192(7) Uani d . 1 . . P
F1 0.44839(12) 0.43849(11) 0.83499(6) 0.0515(4) Uani d . 1 . . F
F2 0.32098(9) 0.41318(11) 0.78878(5) 0.0414(4) Uani d . 1 . . F
F3 0.36863(10) 0.31724(12) 0.87683(6) 0.0442(4) Uani d . 1 A . F
F4 0.47132(11) 0.26081(15) 0.85454(8) 0.0470(6) Uani d P 0.919(5) A 1 F
F5 0.34786(15) 0.23319(11) 0.80644(8) 0.0469(6) Uani d P 0.919(5) A 1 F
F4A 0.4915(11) 0.3168(15) 0.8673(7) 0.034(5) Uiso d P 0.081(5) A 2 F
F5A 0.3945(14) 0.2297(12) 0.8246(8) 0.032(5) Uiso d P 0.081(5) A 2 F
F6 0.02333(9) 0.66277(10) 0.43834(5) 0.0363(3) Uani d . 1 . . F
F7 0.14996(10) 0.64176(10) 0.43615(5) 0.0381(3) Uani d . 1 . . F
F8 0.09324(9) 0.79701(9) 0.39336(5) 0.0315(3) Uani d . 1 . . F
F9 0.18595(11) 0.81644(12) 0.46846(6) 0.0503(4) Uani d . 1 . . F
F10 0.05760(12) 0.83926(10) 0.46229(6) 0.0499(4) Uani d . 1 . . F
O1 0.37072(9) 0.34240(12) 0.71032(5) 0.0296(3) Uani d . 1 . . O
O2 0.50182(10) 0.37105(15) 0.75743(6) 0.0412(4) Uani d . 1 . . O
O3 0.08189(10) 0.70947(11) 0.54502(5) 0.0278(3) Uani d . 1 . . O
O4 0.19142(10) 0.62571(12) 0.54170(6) 0.0338(3) Uani d . 1 . . O
N1 0.50177(11) 0.45034(11) 0.63193(6) 0.0216(3) Uani d . 1 . . N
N2 0.47774(9) 0.17242(11) 0.65556(6) 0.0178(3) Uani d . 1 . . N
N3 0.21221(11) 0.27262(17) 0.55946(7) 0.0362(5) Uani d . 1 . . N
N4 0.25909(10) 0.80999(13) 0.64796(6) 0.0237(3) Uani d . 1 . . N
N5 0.13701(10) 0.57626(10) 0.67111(6) 0.0190(3) Uani d . 1 . . N
N6 -0.01422(9) 0.91003(10) 0.62628(6) 0.0178(3) Uani d . 1 . . N
C1 0.48136(10) 0.31860(11) 0.52484(6) 0.0148(3) Uani d . 1 . . C
C2 0.52585(11) 0.39708(11) 0.54529(6) 0.0164(3) Uani d . 1 . . C
C3 0.60245(12) 0.41167(13) 0.53577(7) 0.0211(3) Uani d . 1 . . C
C4 0.63486(12) 0.35195(14) 0.50600(8) 0.0233(4) Uani d . 1 . . C
C5 0.59003(12) 0.27565(13) 0.48483(7) 0.0216(3) Uani d . 1 . . C
C6 0.51422(11) 0.25873(12) 0.49455(7) 0.0180(3) Uani d . 1 . . C
C7 0.49228(12) 0.46916(12) 0.57458(7) 0.0199(3) Uani d . 1 . . C
C8 0.58891(14) 0.44013(19) 0.66224(8) 0.0342(5) Uani d . 1 . . C
C9 0.4647(2) 0.52536(16) 0.65375(10) 0.0382(6) Uani d . 1 . . C
C10 0.37270(10) 0.17215(11) 0.52731(6) 0.0150(3) Uani d . 1 . . C
C11 0.42666(11) 0.10998(12) 0.56110(7) 0.0163(3) Uani d . 1 . . C
C12 0.41497(13) 0.01859(13) 0.54903(8) 0.0246(4) Uani d . 1 . . C
C13 0.35134(15) -0.01211(14) 0.50571(9) 0.0286(4) Uani d . 1 . . C
C14 0.29830(13) 0.04904(13) 0.47329(8) 0.0251(4) Uani d . 1 . . C
C15 0.30948(11) 0.14043(13) 0.48409(7) 0.0190(3) Uani d . 1 . . C
C16 0.49951(11) 0.13595(12) 0.60832(7) 0.0169(3) Uani d . 1 . . C
C17 0.55446(12) 0.18308(15) 0.69981(8) 0.0250(4) Uani d . 1 . . C
C18 0.42031(13) 0.11377(14) 0.67300(8) 0.0232(4) Uani d . 1 . . C
C19 0.30530(11) 0.34628(12) 0.48555(7) 0.0172(3) Uani d . 1 . . C
C20 0.23147(13) 0.37930(16) 0.49306(8) 0.0287(4) Uani d . 1 . . C
C21 0.17411(16) 0.42161(19) 0.45007(10) 0.0417(6) Uani d . 1 . . C
C22 0.18776(16) 0.42910(17) 0.40063(9) 0.0377(5) Uani d . 1 . . C
C23 0.25934(14) 0.39541(14) 0.39241(8) 0.0272(4) Uani d . 1 . . C
C24 0.31853(12) 0.35546(12) 0.43512(7) 0.0195(3) Uani d . 1 . . C
C25 0.21204(14) 0.3673(2) 0.54576(9) 0.0369(6) Uani d . 1 . . C
C26 0.20575(18) 0.2608(3) 0.61388(10) 0.0560(10) Uani d . 1 . . C
C27 0.14459(16) 0.2241(3) 0.52182(10) 0.0509(9) Uani d . 1 . . C
C28 0.42756(12) 0.36264(13) 0.75102(7) 0.0206(3) Uani d . 1 . . C
C29 0.39833(12) 0.37969(12) 0.80148(7) 0.0188(3) Uani d . 1 A . C
C30 0.39742(13) 0.29661(15) 0.83551(8) 0.0266(4) Uani d . 1 . . C
C31 0.15414(10) 0.90446(11) 0.72538(6) 0.0147(3) Uani d . 1 . . C
C32 0.23085(10) 0.92117(12) 0.71515(6) 0.0170(3) Uani d . 1 . . C
C33 0.26034(12) 1.00923(14) 0.72008(7) 0.0242(4) Uani d . 1 . . C
C34 0.21729(14) 1.07944(14) 0.73481(8) 0.0280(4) Uani d . 1 . . C
C35 0.14366(13) 1.06243(13) 0.74668(8) 0.0248(4) Uani d . 1 . . C
C36 0.11292(11) 0.97500(12) 0.74215(7) 0.0185(3) Uani d . 1 . . C
C37 0.28546(11) 0.84851(14) 0.70264(7) 0.0203(3) Uani d . 1 . . C
C38 0.32142(14) 0.7425(2) 0.64388(10) 0.0382(6) Uani d . 1 . . C
C39 0.25364(17) 0.8807(2) 0.60784(8) 0.0382(6) Uani d . 1 . . C
C40 0.16858(10) 0.72608(11) 0.76952(6) 0.0141(3) Uani d . 1 . . C
C41 0.16574(10) 0.63135(12) 0.76667(6) 0.0158(3) Uani d . 1 . . C
C42 0.21480(11) 0.58228(13) 0.80990(7) 0.0199(3) Uani d . 1 . . C
C43 0.26587(12) 0.62460(14) 0.85509(7) 0.0219(3) Uani d . 1 . . C
C44 0.26789(11) 0.71766(14) 0.85790(7) 0.0208(3) Uani d . 1 . . C
C45 0.21952(11) 0.76761(13) 0.81525(7) 0.0173(3) Uani d . 1 . . C
C46 0.10912(12) 0.58009(12) 0.72023(7) 0.0189(3) Uani d . 1 . . C
C47 0.07435(15) 0.52787(15) 0.62914(8) 0.0293(4) Uani d . 1 . . C
C48 0.21715(14) 0.53025(15) 0.68098(9) 0.0282(4) Uani d . 1 . . C
C49 0.00722(10) 0.80243(11) 0.72771(6) 0.0138(3) Uani d . 1 . . C
C50 -0.06694(10) 0.81669(11) 0.68665(7) 0.0159(3) Uani d . 1 . . C
C51 -0.14170(11) 0.81815(13) 0.69999(8) 0.0207(3) Uani d . 1 . . C
C52 -0.14386(12) 0.80649(13) 0.75265(8) 0.0225(4) Uani d . 1 . . C
C53 -0.07112(12) 0.79274(13) 0.79285(8) 0.0226(3) Uani d . 1 . . C
C54 0.00399(11) 0.79058(12) 0.78041(7) 0.0183(3) Uani d . 1 . . C
C55 -0.06644(11) 0.83300(12) 0.62946(7) 0.0184(3) Uani d . 1 . . C
C56 0.00169(14) 0.91593(16) 0.57416(8) 0.0266(4) Uani d . 1 . . C
C57 -0.05039(13) 0.99378(13) 0.63779(8) 0.0238(4) Uani d . 1 . . C
C58 0.12919(12) 0.67111(13) 0.52268(7) 0.0210(3) Uani d . 1 . . C
C59 0.10288(12) 0.68855(13) 0.46112(7) 0.0213(3) Uani d . 1 . . C
C60 0.10923(14) 0.78696(14) 0.44634(7) 0.0249(4) Uani d . 1 . . C
H3 0.6308(15) 0.4650(17) 0.5482(10) 0.025(6) Uiso d . 1 . . H
H4 0.6851(16) 0.3636(17) 0.4992(10) 0.026(6) Uiso d . 1 . . H
H5 0.6093(16) 0.2381(17) 0.4640(10) 0.025(6) Uiso d . 1 . . H
H6 0.4862(15) 0.2052(17) 0.4807(10) 0.023(6) Uiso d . 1 . . H
H7A 0.4345(14) 0.4785(15) 0.5578(9) 0.016(5) Uiso d . 1 . . H
H7B 0.5186(14) 0.5271(16) 0.5721(9) 0.020(6) Uiso d . 1 . . H
H8A 0.5906(17) 0.4290(19) 0.6983(11) 0.036(7) Uiso d . 1 . . H
H8B 0.6141(16) 0.3903(19) 0.6475(11) 0.030(7) Uiso d . 1 . . H
H8C 0.621(2) 0.493(2) 0.6596(13) 0.051(9) Uiso d . 1 . . H
H9A 0.4704(17) 0.5118(19) 0.6916(11) 0.036(7) Uiso d . 1 . . H
H9B 0.404(2) 0.533(2) 0.6335(12) 0.046(9) Uiso d . 1 . . H
H9C 0.487(2) 0.578(2) 0.6486(13) 0.052(9) Uiso d . 1 . . H
H12 0.4500(16) -0.0212(18) 0.5690(10) 0.029(7) Uiso d . 1 . . H
H13 0.3449(17) -0.073(2) 0.4991(11) 0.040(8) Uiso d . 1 . . H
H14 0.2523(17) 0.0279(19) 0.4431(11) 0.036(7) Uiso d . 1 . . H
H15 0.2732(15) 0.1814(17) 0.4614(10) 0.024(6) Uiso d . 1 . . H
H16A 0.5338(14) 0.1797(15) 0.5987(9) 0.015(5) Uiso d . 1 . . H
H16B 0.5355(15) 0.0807(17) 0.6185(10) 0.024(6) Uiso d . 1 . . H
H17A 0.5419(15) 0.2108(17) 0.7287(10) 0.025(6) Uiso d . 1 . . H
H17B 0.5907(17) 0.2215(18) 0.6885(11) 0.030(7) Uiso d . 1 . . H
H17C 0.5837(15) 0.1268(18) 0.7105(10) 0.025(6) Uiso d . 1 . . H
H18A 0.3679(15) 0.1068(16) 0.6440(10) 0.022(6) Uiso d . 1 . . H
H18B 0.4417(16) 0.0562(19) 0.6815(10) 0.029(6) Uiso d . 1 . . H
H18C 0.4059(16) 0.1406(18) 0.7014(11) 0.029(6) Uiso d . 1 . . H
H21 0.125(2) 0.439(2) 0.4540(13) 0.057(10) Uiso d . 1 . . H
H22 0.148(2) 0.455(2) 0.3719(13) 0.056(9) Uiso d . 1 . . H
H23 0.2691(17) 0.4018(19) 0.3580(11) 0.037(7) Uiso d . 1 . . H
H24 0.3689(15) 0.3351(16) 0.4294(9) 0.018(5) Uiso d . 1 . . H
H25B 0.160(2) 0.395(2) 0.5458(13) 0.057(10) Uiso d . 1 . . H
H25C 0.2572(17) 0.3976(19) 0.5757(11) 0.034(7) Uiso d . 1 . . H
H26A 0.2057(17) 0.1978(19) 0.6214(11) 0.028(7) Uiso d . 1 . . H
H26B 0.248(2) 0.291(2) 0.6387(13) 0.046(8) Uiso d . 1 . . H
H26C 0.154(2) 0.290(2) 0.6159(13) 0.054(9) Uiso d . 1 . . H
H27A 0.1476(18) 0.164(2) 0.5296(11) 0.032(8) Uiso d . 1 . . H
H27B 0.1501(18) 0.2300(19) 0.4853(12) 0.037(7) Uiso d . 1 . . H
H27C 0.089(2) 0.240(3) 0.5230(15) 0.073(12) Uiso d . 1 . . H
H33 0.3079(17) 1.0174(18) 0.7133(10) 0.031(7) Uiso d . 1 . . H
H34 0.2375(17) 1.135(2) 0.7364(11) 0.036(7) Uiso d . 1 . . H
H35 0.1129(17) 1.1097(19) 0.7561(11) 0.034(7) Uiso d . 1 . . H
H36 0.0641(15) 0.9635(16) 0.7500(9) 0.021(6) Uiso d . 1 . . H
H37A 0.2900(14) 0.7988(16) 0.7281(9) 0.019(6) Uiso d . 1 . . H
H37B 0.3392(16) 0.8733(17) 0.7081(10) 0.026(6) Uiso d . 1 . . H
H38A 0.3047(17) 0.7167(19) 0.6093(11) 0.035(7) Uiso d . 1 . . H
H38B 0.3247(18) 0.695(2) 0.6725(12) 0.040(8) Uiso d . 1 . . H
H38C 0.375(2) 0.770(2) 0.6489(13) 0.050(9) Uiso d . 1 . . H
H39A 0.2119(16) 0.9236(18) 0.6084(10) 0.026(6) Uiso d . 1 . . H
H39C 0.2387(17) 0.8585(19) 0.5751(12) 0.036(7) Uiso d . 1 . . H
H39B 0.3090(18) 0.912(2) 0.6127(11) 0.039(7) Uiso d . 1 . . H
H42 0.2122(15) 0.5197(18) 0.8064(10) 0.026(6) Uiso d . 1 . . H
H43 0.2984(16) 0.5903(18) 0.8823(11) 0.030(7) Uiso d . 1 . . H
H44 0.2992(15) 0.7449(17) 0.8867(10) 0.023(6) Uiso d . 1 . . H
H45 0.2211(15) 0.8270(17) 0.8172(10) 0.022(6) Uiso d . 1 . . H
H46A 0.0546(15) 0.6080(17) 0.7093(10) 0.023(6) Uiso d . 1 . . H
H46B 0.1027(14) 0.5195(16) 0.7317(9) 0.021(6) Uiso d . 1 . . H
H47A 0.0922(17) 0.5241(19) 0.5972(11) 0.035(7) Uiso d . 1 . . H
H47B 0.0194(17) 0.5619(19) 0.6200(11) 0.035(7) Uiso d . 1 . . H
H47C 0.0675(16) 0.4678(19) 0.6417(11) 0.032(7) Uiso d . 1 . . H
H48A 0.2607(16) 0.5627(18) 0.7084(11) 0.029(6) Uiso d . 1 . . H
H48B 0.2150(17) 0.468(2) 0.6916(12) 0.040(8) Uiso d . 1 . . H
H48C 0.2324(16) 0.5325(18) 0.6493(11) 0.031(7) Uiso d . 1 . . H
H51 -0.1924(16) 0.8291(17) 0.6721(10) 0.029(7) Uiso d . 1 . . H
H52 -0.1940(16) 0.8106(17) 0.7600(10) 0.028(6) Uiso d . 1 . . H
H53 -0.0715(15) 0.7823(16) 0.8277(10) 0.023(6) Uiso d . 1 . . H
H54 0.0525(15) 0.7799(16) 0.8083(9) 0.018(6) Uiso d . 1 . . H
H55A -0.0446(14) 0.7807(16) 0.6161(9) 0.019(6) Uiso d . 1 . . H
H55B -0.1232(17) 0.8409(18) 0.6068(11) 0.032(7) Uiso d . 1 . . H
H56A 0.0252(16) 0.8622(19) 0.5666(10) 0.031(7) Uiso d . 1 . . H
H56B -0.0495(16) 0.9284(17) 0.5442(10) 0.026(6) Uiso d . 1 . . H
H56C 0.0394(16) 0.9651(18) 0.5747(10) 0.030(7) Uiso d . 1 . . H
H57A -0.0603(14) 0.9899(16) 0.6720(10) 0.021(6) Uiso d . 1 . . H
H57B -0.0123(16) 1.0452(18) 0.6384(10) 0.031(7) Uiso d . 1 . . H
H57C -0.1026(18) 1.0069(19) 0.6128(12) 0.038(7) Uiso d . 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'
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_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Ag1 O1 2.2789(13) yes
Ag1 P1 2.4145(4) yes
Ag1 N2 2.4360(16) yes
Ag1 N1 2.4433(16) yes
Ag2 O3 2.2383(13) yes
Ag2 P2 2.3892(4) yes
Ag2 N4 2.4270(16) yes
Ag2 N5 2.4592(15) yes
P1 C10 1.8327(18) ?
P1 C19 1.8353(17) ?
P1 C1 1.8466(17) ?
P2 C31 1.8268(17) ?
P2 C49 1.8285(16) ?
P2 C40 1.8452(16) ?
F1 C29 1.348(2) ?
F2 C29 1.346(2) ?
F3 C30 1.334(2) ?
F4 C30 1.315(3) ?
F5 C30 1.341(3) ?
F4A C30 1.594(19) ?
F5A C30 1.032(19) ?
F6 C59 1.357(2) ?
F7 C59 1.353(2) ?
F8 C60 1.335(2) ?
F9 C60 1.331(3) ?
F10 C60 1.319(2) ?
O1 C28 1.245(2) ?
O2 C28 1.221(2) ?
O3 C58 1.250(2) ?
