#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:09:43 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180378 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/47/7204786.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_7204786
loop_
_publ_author_name
'Consuelo Yuste Vivas'
'Fernando S. Delgado'
'Catalina Ruiz-Pérez'
'Miguel Julve'
_publ_section_title
;
 Preparation and crystal structure of the oxalato-bridged CrIII--AgI
 two-dimensional compound {Ag3(H2O)[Cr(dpa)(ox)2]3}n·2nH2O (dpa
 = 2,2'-dipyridylamine)
;
_journal_issue                   4
_journal_name_full               CrystEngComm
_journal_page_first              11
_journal_page_last               18
_journal_paper_doi               10.1039/b314686c
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'C42 H33 Ag3 Cr3 N9 O27'
_chemical_formula_weight         1575.38
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                94.779(5)
_cell_angle_beta                 101.094(5)
_cell_angle_gamma                91.342(5)
_cell_formula_units_Z            2
_cell_length_a                   9.486(5)
_cell_length_b                   11.381(5)
_cell_length_c                   23.904(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2521.6(18)
_computing_cell_refinement
'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs 1990-2000)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0295
_diffrn_reflns_av_sigmaI/netI    0.0525
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            21379
_diffrn_reflns_theta_full        30.02
_diffrn_reflns_theta_max         30.02
_diffrn_reflns_theta_min         2.99
_exptl_absorpt_coefficient_mu    1.870
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'deep red'
_exptl_crystal_density_diffrn    2.075
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cubes
_exptl_crystal_F_000             1554
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.897
_refine_diff_density_min         -1.389
_refine_diff_density_rms         0.185
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     757
_refine_ls_number_reflns         14619
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.0672
_refine_ls_R_factor_gt           0.0460
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w==1/[σ²(Fo²)+(0.0533P)²+2.5058P] where P==(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1147
_refine_ls_wR_factor_ref         0.1267
_reflns_number_gt                11283
_reflns_number_total             14619
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b314686c.txt
_cod_data_source_block           COMPOUND1
_cod_database_code               7204786
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Ag1 Ag 0.25551(3) -0.18141(3) 0.206232(12) 0.03890(8) Uani 1 1 d . . .
Ag2 Ag 0.68353(4) -0.45818(3) 0.603214(15) 0.04644(9) Uani 1 1 d . . .
Ag3 Ag 0.77219(4) -0.00552(3) 0.909572(14) 0.04697(9) Uani 1 1 d . . .
Cr1 Cr 0.32287(6) 0.30253(5) 0.93200(2) 0.02326(11) Uani 1 1 d . . .
Cr2 Cr 1.11362(6) -0.19865(5) 0.75547(2) 0.02445(11) Uani 1 1 d . . .
Cr3 Cr 0.25450(6) -0.23619(5) 0.44260(2) 0.02582(12) Uani 1 1 d . . .
C1 C 0.0421(4) 0.2164(3) 0.89343(15) 0.0288(7) Uani 1 1 d . . .
C2 C 0.0810(4) 0.2864(3) 0.84480(15) 0.0301(7) Uani 1 1 d . . .
C3 C 0.5544(4) 0.3103(3) 0.87879(15) 0.0284(7) Uani 1 1 d . . .
C4 C 0.5049(4) 0.1777(3) 0.87399(14) 0.0292(7) Uani 1 1 d . . .
C5 C 0.5034(4) 0.1795(3) 1.02402(17) 0.0346(8) Uani 1 1 d . . .
H5 H 0.5495 0.1554 0.9943 0.041 Uiso 1 1 calc R . .
C6 C 0.5392(4) 0.1282(4) 1.07440(18) 0.0408(9) Uani 1 1 d . . .
H6 H 0.6080 0.0711 1.0788 0.049 Uiso 1 1 calc R . .
C7 C 0.4700(5) 0.1638(3) 1.11867(17) 0.0405(9) Uani 1 1 d . . .
H7 H 0.4902 0.1290 1.1530 0.049 Uiso 1 1 calc R . .
C8 C 0.3706(5) 0.2511(3) 1.11149(16) 0.0370(8) Uani 1 1 d . . .
H8 H 0.3243 0.2764 1.1410 0.044 Uiso 1 1 calc R . .
C9 C 0.3412(4) 0.3008(3) 1.05882(14) 0.0277(7) Uani 1 1 d . . .
C10 C 0.2211(4) 0.4742(3) 1.01666(14) 0.0265(6) Uani 1 1 d . . .
C11 C 0.1501(4) 0.5752(3) 1.03150(16) 0.0335(8) Uani 1 1 d . . .
H11 H 0.1144 0.5821 1.0652 0.040 Uiso 1 1 calc R . .
C12 C 0.1342(4) 0.6636(3) 0.99554(18) 0.0370(8) Uani 1 1 d . . .
H12 H 0.0852 0.7305 1.0042 0.044 Uiso 1 1 calc R . .
C13 C 0.1910(4) 0.6530(3) 0.94652(17) 0.0373(8) Uani 1 1 d . . .
H13 H 0.1851 0.7140 0.9227 0.045 Uiso 1 1 calc R . .
C14 C 0.2562(4) 0.5511(3) 0.93357(16) 0.0338(8) Uani 1 1 d . . .
H14 H 0.2947 0.5442 0.9005 0.041 Uiso 1 1 calc R . .
C15 C 0.9652(4) -0.3214(3) 0.65790(14) 0.0276(7) Uani 1 1 d . . .
C16 C 0.9167(4) -0.3769(3) 0.70846(15) 0.0281(7) Uani 1 1 d . . .
C17 C 1.0167(4) -0.1276(3) 0.85331(15) 0.0318(7) Uani 1 1 d . . .
C18 C 0.8965(4) -0.0997(3) 0.80205(15) 0.0303(7) Uani 1 1 d . . .
C19 C 1.1799(5) 0.0563(3) 0.75281(18) 0.0374(8) Uani 1 1 d . . .
H19 H 1.0973 0.0611 0.7684 0.045 Uiso 1 1 calc R . .
C20 C 1.2406(5) 0.1582(4) 0.74042(18) 0.0420(9) Uani 1 1 d . . .
H20 H 1.2007 0.2306 0.7474 0.050 Uiso 1 1 calc R . .
C21 C 1.3633(5) 0.1511(4) 0.71713(19) 0.0451(10) Uani 1 1 d . . .
H21 H 1.4073 0.2190 0.7081 0.054 Uiso 1 1 calc R . .
C22 C 1.4191(5) 0.0432(4) 0.7076(2) 0.0429(9) Uani 1 1 d . . .
H22 H 1.5011 0.0374 0.6917 0.052 Uiso 1 1 calc R . .
C23 C 1.3530(4) -0.0587(3) 0.72163(15) 0.0319(7) Uani 1 1 d . . .
C24 C 1.4040(4) -0.2697(3) 0.73519(15) 0.0312(7) Uani 1 1 d . . .
C25 C 1.5096(5) -0.3520(4) 0.72983(19) 0.0423(9) Uani 1 1 d . . .
H25 H 1.5819 -0.3358 0.7099 0.051 Uiso 1 1 calc R . .
C26 C 1.5053(5) -0.4554(4) 0.7540(2) 0.0462(10) Uani 1 1 d . . .
H26 H 1.5741 -0.5110 0.7506 0.055 Uiso 1 1 calc R . .
C27 C 1.3967(5) -0.4775(4) 0.78401(19) 0.0436(9) Uani 1 1 d . . .
H27 H 1.3935 -0.5469 0.8017 0.052 Uiso 1 1 calc R . .
C28 C 1.2960(4) -0.3961(3) 0.78688(16) 0.0358(8) Uani 1 1 d . . .
H28 H 1.2233 -0.4117 0.8066 0.043 Uiso 1 1 calc R . .
C29 C 0.2482(4) -0.1472(3) 0.33882(15) 0.0290(7) Uani 1 1 d . . .
C30 C 0.3086(4) -0.2721(3) 0.33277(15) 0.0289(7) Uani 1 1 d . . .
C31 C 0.4192(4) -0.3642(4) 0.52245(16) 0.0348(8) Uani 1 1 d . . .
C32 C 0.5179(4) -0.2600(4) 0.51353(16) 0.0350(8) Uani 1 1 d . . .
C33 C 0.2599(5) -0.0192(4) 0.51823(17) 0.0393(9) Uani 1 1 d . . .
H33 H 0.3318 0.0016 0.4990 0.047 Uiso 1 1 calc R . .
C34 C 0.2282(5) 0.0594(4) 0.56029(19) 0.0463(10) Uani 1 1 d . . .
H34 H 0.2777 0.1321 0.5695 0.056 Uiso 1 1 calc R . .
C35 C 0.1212(6) 0.0283(4) 0.58865(19) 0.0487(11) Uani 1 1 d . . .
H35 H 0.0988 0.0796 0.6178 0.058 Uiso 1 1 calc R . .
C36 C 0.0478(5) -0.0787(4) 0.57377(17) 0.0417(9) Uani 1 1 d . . .
H36 H -0.0252 -0.1001 0.5924 0.050 Uiso 1 1 calc R . .
C37 C 0.0838(4) -0.1545(3) 0.53056(15) 0.0329(8) Uani 1 1 d . . .
C38 C -0.0317(4) -0.3182(3) 0.46124(16) 0.0335(8) Uani 1 1 d . . .
C39 C -0.1552(5) -0.3936(4) 0.4499(2) 0.0488(11) Uani 1 1 d . . .
H39 H -0.2011 -0.4109 0.4794 0.059 Uiso 1 1 calc R . .
C40 C -0.2070(5) -0.4410(5) 0.3957(2) 0.0574(13) Uani 1 1 d . . .
H40 H -0.2892 -0.4904 0.3876 0.069 Uiso 1 1 calc R . .
C41 C -0.1351(5) -0.4147(4) 0.3521(2) 0.0493(11) Uani 1 1 d . . .
H41 H -0.1709 -0.4433 0.3143 0.059 Uiso 1 1 calc R . .
C42 C -0.0118(4) -0.3465(4) 0.36617(17) 0.0367(8) Uani 1 1 d . . .
H42 H 0.0371 -0.3311 0.3372 0.044 Uiso 1 1 calc R . .
O1 O 0.1422(3) 0.2194(2) 0.93874(10) 0.0288(5) Uani 1 1 d . . .
O2 O 0.2094(3) 0.3330(2) 0.85695(10) 0.0302(5) Uani 1 1 d . . .
O3 O -0.0745(3) 0.1648(3) 0.88703(13) 0.0443(7) Uani 1 1 d . . .
O4 O -0.0063(3) 0.2913(3) 0.80053(12) 0.0476(7) Uani 1 1 d . . .
O5 O 0.4952(3) 0.3763(2) 0.91328(11) 0.0307(5) Uani 1 1 d . . .
O6 O 0.3967(3) 0.1582(2) 0.89745(11) 0.0313(5) Uani 1 1 d . . .
O7 O 0.6418(3) 0.3427(3) 0.85138(12) 0.0405(6) Uani 1 1 d . . .
O8 O 0.5692(3) 0.1033(2) 0.85049(12) 0.0392(6) Uani 1 1 d . . .
O9 O 1.0673(3) -0.2430(2) 0.67270(10) 0.0300(5) Uani 1 1 d . . .
O10 O 0.9940(3) -0.3423(2) 0.75779(10) 0.0310(5) Uani 1 1 d . . .
O11 O 0.9074(3) -0.3538(3) 0.60865(11) 0.0384(6) Uani 1 1 d . . .
O12 O 0.8149(3) -0.4469(3) 0.70039(12) 0.0398(6) Uani 1 1 d . . .
O13 O 1.1327(3) -0.1630(2) 0.83844(10) 0.0320(5) Uani 1 1 d . . .
O14 O 0.9345(3) -0.1136(2) 0.75356(10) 0.0319(5) Uani 1 1 d . . .
O15 O 0.9952(3) -0.1158(3) 0.90241(12) 0.0440(7) Uani 1 1 d . . .
O16 O 0.7792(3) -0.0662(3) 0.80994(13) 0.0437(7) Uani 1 1 d . . .
O17 O 0.2246(3) -0.1150(2) 0.38857(10) 0.0319(5) Uani 1 1 d . . .
O18 O 0.3138(3) -0.3276(2) 0.37822(11) 0.0328(5) Uani 1 1 d . . .
O19 O 0.2298(3) -0.0877(2) 0.29793(11) 0.0419(7) Uani 1 1 d . . .
O20 O 0.3479(3) -0.3080(3) 0.28918(12) 0.0439(7) Uani 1 1 d . . .
O21 O 0.2916(3) -0.3673(2) 0.49107(11) 0.0359(6) Uani 1 1 d . . .
O22 O 0.4575(3) -0.1929(2) 0.47591(11) 0.0350(6) Uani 1 1 d . . .
O23 O 0.4589(3) -0.4366(3) 0.55630(15) 0.0562(9) Uani 1 1 d . . .
O24 O 0.6402(3) -0.2475(3) 0.54109(14) 0.0530(8) Uani 1 1 d . . .
N1 N 0.4040(3) 0.2639(3) 1.01504(12) 0.0276(6) Uani 1 1 d . . .
N2 N 0.2671(3) 0.4597(2) 0.96704(12) 0.0263(6) Uani 1 1 d . . .
N3 N 0.2412(3) 0.3874(3) 1.05373(13) 0.0314(6) Uani 1 1 d . . .
H3 H 0.1829 0.3869 1.0772 0.038 Uiso 1 1 calc R . .
N4 N 1.2334(3) -0.0528(3) 0.74370(13) 0.0293(6) Uani 1 1 d . . .
N5 N 1.2963(3) -0.2920(3) 0.76206(12) 0.0282(6) Uani 1 1 d . . .
N6 N 1.4155(3) -0.1639(3) 0.71187(15) 0.0364(7) Uani 1 1 d . . .
H6A H 1.4707 -0.1639 0.6872 0.044 Uiso 1 1 calc R . .
N7 N 0.1905(3) -0.1262(3) 0.50364(13) 0.0315(6) Uani 1 1 d . . .
N8 N 0.0434(3) -0.2998(3) 0.41997(13) 0.0295(6) Uani 1 1 d . . .
N9 N 0.0090(4) -0.2606(3) 0.51509(14) 0.0388(7) Uani 1 1 d . . .
H9 H -0.0154 -0.2955 0.5425 0.047 Uiso 1 1 calc R . .
O1W O 0.8047(4) -0.0008(3) 1.00792(13) 0.0521(8) Uani 1 1 d . . .
O2W O 0.3355(4) 0.1596(3) 0.33924(14) 0.0535(8) Uani 1 1 d . . .
O3W O 0.1441(4) 0.4587(3) 0.15770(14) 0.0615(9) Uani 1 1 d . . .
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 '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'
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
O19 Ag1 O8 122.42(10) . 2_656 ?
O19 Ag1 O7 149.61(9) . 2_656 ?
O8 Ag1 O7 67.02(9) 2_656 2_656 ?
O19 Ag1 O3 123.77(10) . 2_556 ?
O8 Ag1 O3 82.76(10) 2_656 2_556 ?
O7 Ag1 O3 84.55(10) 2_656 2_556 ?
O19 Ag1 O20 67.55(9) . . ?
O8 Ag1 O20 119.30(10) 2_656 . ?
O7 Ag1 O20 82.62(9) 2_656 . ?
O3 Ag1 O20 146.83(10) 2_556 . ?
O23 Ag2 O11 134.06(11) . . ?
O23 Ag2 O12 138.65(12) . . ?
O11 Ag2 O12 71.21(9) . . ?
O23 Ag2 O18 103.58(11) . 2_646 ?
O11 Ag2 O18 118.53(10) . 2_646 ?
O12 Ag2 O18 78.85(9) . 2_646 ?
O1W Ag3 O16 162.13(11) . . ?
O1W Ag3 O15 95.06(11) . . ?
O16 Ag3 O15 69.30(9) . . ?
O1W Ag3 O3 107.13(11) . 1_655 ?
O16 Ag3 O3 79.91(10) . 1_655 ?
O15 Ag3 O3 81.74(11) . 1_655 ?
O1W Ag3 O8 121.95(11) . . ?
O16 Ag3 O8 74.75(9) . . ?
O15 Ag3 O8 142.60(9) . . ?
O3 Ag3 O8 82.22(10) 1_655 . ?
O5 Cr1 O2 90.71(11) . . ?
O5 Cr1 O1 171.52(11) . . ?
O2 Cr1 O1 82.41(11) . . ?
O5 Cr1 O6 82.61(11) . . ?
O2 Cr1 O6 90.60(11) . . ?
O1 Cr1 O6 92.46(11) . . ?
O5 Cr1 N2 91.38(11) . . ?
O2 Cr1 N2 90.41(11) . . ?
O1 Cr1 N2 93.63(11) . . ?
O6 Cr1 N2 173.91(11) . . ?
O5 Cr1 N1 100.05(12) . . ?
O2 Cr1 N1 168.90(11) . . ?
O1 Cr1 N1 87.08(11) . . ?
O6 Cr1 N1 93.43(11) . . ?
N2 Cr1 N1 86.67(11) . . ?
O9 Cr2 O13 171.93(11) . . ?
O9 Cr2 O14 92.29(11) . . ?
O13 Cr2 O14 82.59(10) . . ?
O9 Cr2 O10 82.76(10) . . ?
O13 Cr2 O10 90.60(11) . . ?
O14 Cr2 O10 85.57(12) . . ?
O9 Cr2 N5 90.33(11) . . ?
O13 Cr2 N5 94.49(11) . . ?
O14 Cr2 N5 176.18(11) . . ?
O10 Cr2 N5 92.00(12) . . ?
O9 Cr2 N4 91.12(11) . . ?
O13 Cr2 N4 95.49(12) . . ?
O14 Cr2 N4 94.57(12) . . ?
O10 Cr2 N4 173.88(11) . . ?
N5 Cr2 N4 88.16(13) . . ?
O17 Cr3 O21 174.40(11) . . ?
O17 Cr3 O18 82.71(10) . . ?
O21 Cr3 O18 91.71(11) . . ?
O17 Cr3 O22 97.00(11) . . ?
O21 Cr3 O22 82.61(11) . . ?
O18 Cr3 O22 89.97(12) . . ?
O17 Cr3 N7 90.89(12) . . ?
O21 Cr3 N7 94.69(12) . . ?
O18 Cr3 N7 173.59(11) . . ?
O22 Cr3 N7 90.43(12) . . ?
O17 Cr3 N8 93.07(12) . . ?
O21 Cr3 N8 87.59(11) . . ?
O18 Cr3 N8 93.58(12) . . ?
O22 Cr3 N8 169.67(11) . . ?
N7 Cr3 N8 87.12(13) . . ?
O3 C1 O1 125.3(3) . . ?
O3 C1 C2 120.3(3) . . ?
O1 C1 C2 114.4(3) . . ?
O4 C2 O2 126.8(3) . . ?
O4 C2 C1 120.0(3) . . ?
O2 C2 C1 113.2(3) . . ?
O7 C3 O5 126.1(3) . . ?
O7 C3 C4 120.3(3) . . ?
O5 C3 C4 113.6(3) . . ?
O8 C4 O6 126.0(3) . . ?
O8 C4 C3 120.1(3) . . ?
O6 C4 C3 113.9(3) . . ?
N1 C5 C6 123.7(4) . . ?
C5 C6 C7 118.2(4) . . ?
C8 C7 C6 119.7(4) . . ?
C7 C8 C9 118.8(4) . . ?
N1 C9 N3 121.5(3) . . ?
N1 C9 C8 121.9(3) . . ?
N3 C9 C8 116.6(3) . . ?
N2 C10 N3 119.7(3) . . ?
N2 C10 C11 121.6(3) . . ?
N3 C10 C11 118.7(3) . . ?
C12 C11 C10 118.8(3) . . ?
C11 C12 C13 119.7(3) . . ?
C14 C13 C12 118.8(4) . . ?
N2 C14 C13 122.6(3) . . ?
O11 C15 O9 125.3(3) . . ?
O11 C15 C16 120.2(3) . . ?
O9 C15 C16 114.6(3) . . ?
O12 C16 O10 125.0(3) . . ?
O12 C16 C15 121.1(3) . . ?
O10 C16 C15 113.9(3) . . ?
O15 C17 O13 125.7(4) . . ?
O15 C17 C18 120.3(3) . . ?
O13 C17 C18 114.0(3) . . ?
O16 C18 O14 125.4(3) . . ?
O16 C18 C17 121.0(3) . . ?
O14 C18 C17 113.5(3) . . ?
C20 C19 N4 123.8(4) . . ?
C19 C20 C21 118.2(4) . . ?
C22 C21 C20 119.3(4) . . ?
C21 C22 C23 120.1(4) . . ?
N4 C23 N6 121.6(3) . . ?
N4 C23 C22 121.0(4) . . ?
N6 C23 C22 117.3(3) . . ?
N5 C24 N6 120.8(3) . . ?
N5 C24 C25 121.7(4) . . ?
N6 C24 C25 117.5(3) . . ?
C26 C25 C24 119.3(4) . . ?
C25 C26 C27 119.4(4) . . ?
C28 C27 C26 118.8(4) . . ?
C27 C28 N5 123.1(4) . . ?
O19 C29 O17 125.6(3) . . ?
O19 C29 C30 119.7(3) . . ?
O17 C29 C30 114.6(3) . . ?
O20 C30 O18 126.5(3) . . ?
O20 C30 C29 120.6(3) . . ?
O18 C30 C29 112.9(3) . . ?
O23 C31 O21 123.2(4) . . ?
O23 C31 C32 122.5(4) . . ?
O21 C31 C32 114.2(3) . . ?
O24 C32 O22 126.2(4) . . ?
O24 C32 C31 120.1(4) . . ?
O22 C32 C31 113.7(3) . . ?
N7 C33 C34 122.6(4) . . ?
C33 C34 C35 118.5(4) . . ?
C36 C35 C34 119.8(4) . . ?
C35 C36 C37 119.2(4) . . ?
N7 C37 N9 119.4(3) . . ?
N7 C37 C36 121.4(4) . . ?
N9 C37 C36 119.2(4) . . ?
N8 C38 N9 120.4(3) . . ?
N8 C38 C39 121.0(4) . . ?
N9 C38 C39 118.5(4) . . ?
C40 C39 C38 119.7(4) . . ?
C39 C40 C41 119.1(4) . . ?
C42 C41 C40 118.5(4) . . ?
N8 C42 C41 123.5(4) . . ?
C1 O1 Cr1 114.2(2) . . ?
C2 O2 Cr1 115.6(2) . . ?
C1 O3 Ag3 149.2(3) . 1_455 ?
C1 O3 Ag1 118.3(2) . 2_556 ?
Ag3 O3 Ag1 89.63(9) 1_455 2_556 ?
C3 O5 Cr1 113.6(2) . . ?
C4 O6 Cr1 113.9(2) . . ?
C3 O7 Ag1 115.8(2) . 2_656 ?
C4 O8 Ag1 115.6(2) . 2_656 ?
C4 O8 Ag3 120.1(2) . . ?
Ag1 O8 Ag3 89.99(9) 2_656 . ?
C15 O9 Cr2 113.4(2) . . ?
C16 O10 Cr2 112.2(2) . . ?
C15 O11 Ag2 112.3(2) . . ?
C16 O12 Ag2 112.0(2) . . ?
C17 O13 Cr2 113.6(2) . . ?
C18 O14 Cr2 113.7(2) . . ?
C17 O15 Ag3 112.3(2) . . ?
C18 O16 Ag3 114.3(3) . . ?
C29 O17 Cr3 114.7(2) . . ?
C30 O18 Cr3 114.8(2) . . ?
C30 O18 Ag2 134.0(2) . 2_646 ?
Cr3 O18 Ag2 108.74(11) . 2_646 ?
C29 O19 Ag1 117.8(2) . . ?
C30 O20 Ag1 111.6(2) . . ?
C31 O21 Cr3 114.5(2) . . ?
C32 O22 Cr3 114.8(2) . . ?
C31 O23 Ag2 126.9(3) . . ?
C9 N1 C5 117.7(3) . . ?
C9 N1 Cr1 121.7(2) . . ?
C5 N1 Cr1 119.1(2) . . ?
C10 N2 C14 118.1(3) . . ?
C10 N2 Cr1 124.4(2) . . ?
C14 N2 Cr1 116.8(2) . . ?
C10 N3 C9 129.4(3) . . ?
C23 N4 C19 117.6(3) . . ?
C23 N4 Cr2 123.7(2) . . ?
C19 N4 Cr2 118.3(2) . . ?
C24 N5 C28 117.6(3) . . ?
C24 N5 Cr2 124.3(2) . . ?
C28 N5 Cr2 117.0(2) . . ?
C23 N6 C24 130.4(3) . . ?
C37 N7 C33 118.4(3) . . ?
C37 N7 Cr3 123.4(3) . . ?
C33 N7 Cr3 118.2(3) . . ?
C38 N8 C42 117.8(3) . . ?
C38 N8 Cr3 119.6(3) . . ?
C42 N8 Cr3 121.1(2) . . ?
C37 N9 C38 128.2(3) . . ?
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
Ag1 O19 2.415(3) . ?
Ag1 O8 2.528(3) 2_656 ?
Ag1 O7 2.529(3) 2_656 ?
Ag1 O3 2.562(3) 2_556 ?
Ag1 O20 2.577(3) . ?
Ag2 O23 2.238(3) . ?
Ag2 O11 2.385(3) . ?
Ag2 O12 2.407(3) . ?
Ag2 O18 2.514(3) 2_646 ?
Ag3 O1W 2.307(3) . ?
Ag3 O16 2.438(3) . ?
Ag3 O15 2.512(3) . ?
Ag3 O3 2.550(3) 1_655 ?
Ag3 O8 2.568(3) . ?
Cr1 O5 1.964(3) . ?
Cr1 O2 1.969(2) . ?
Cr1 O1 1.978(3) . ?
Cr1 O6 1.980(3) . ?
Cr1 N2 2.036(3) . ?
Cr1 N1 2.073(3) . ?
Cr2 O9 1.962(2) . ?
Cr2 O13 1.963(2) . ?
Cr2 O14 1.970(3) . ?
Cr2 O10 1.979(3) . ?
Cr2 N5 2.041(3) . ?
Cr2 N4 2.058(3) . ?
Cr3 O17 1.956(2) . ?
Cr3 O21 1.962(3) . ?
Cr3 O18 1.965(3) . ?
Cr3 O22 1.971(3) . ?
Cr3 N7 2.034(3) . ?
Cr3 N8 2.068(3) . ?
C1 O3 1.218(4) . ?
C1 O1 1.293(4) . ?
C1 C2 1.559(5) . ?
C2 O4 1.218(5) . ?
C2 O2 1.287(4) . ?
C3 O7 1.220(4) . ?
C3 O5 1.287(4) . ?
C3 C4 1.558(5) . ?
C4 O8 1.217(4) . ?
C4 O6 1.284(4) . ?
C5 N1 1.363(5) . ?
C5 C6 1.369(5) . ?
C6 C7 1.387(6) . ?
C7 C8 1.384(6) . ?
C8 C9 1.405(5) . ?
C9 N1 1.343(4) . ?
C9 N3 1.381(5) . ?
C10 N2 1.339(4) . ?
C10 N3 1.373(4) . ?
C10 C11 1.401(5) . ?
C11 C12 1.369(5) . ?
C12 C13 1.379(6) . ?
C13 C14 1.368(5) . ?
C14 N2 1.359(4) . ?
C15 O11 1.221(4) . ?
C15 O9 1.278(4) . ?
C15 C16 1.549(5) . ?
C16 O12 1.213(4) . ?
C16 O10 1.289(4) . ?
C17 O15 1.226(4) . ?
C17 O13 1.283(4) . ?
C17 C18 1.564(5) . ?
C18 O16 1.228(4) . ?
C18 O14 1.277(4) . ?
C19 C20 1.363(6) . ?
C19 N4 1.369(5) . ?
C20 C21 1.385(6) . ?
C21 C22 1.368(6) . ?
C22 C23 1.401(5) . ?
C23 N4 1.341(5) . ?
C23 N6 1.371(5) . ?
C24 N5 1.337(5) . ?
C24 N6 1.379(5) . ?
C24 C25 1.404(5) . ?
C25 C26 1.356(6) . ?
C26 C27 1.393(6) . ?
C27 C28 1.352(6) . ?
C28 N5 1.369(5) . ?
C29 O19 1.222(4) . ?
C29 O17 1.277(4) . ?
C29 C30 1.552(5) . ?
C30 O20 1.215(4) . ?
C30 O18 1.295(4) . ?
C31 O23 1.218(5) . ?
C31 O21 1.293(5) . ?
C31 C32 1.548(6) . ?
C32 O24 1.217(5) . ?
C32 O22 1.287(5) . ?
C33 N7 1.357(5) . ?
C33 C34 1.371(6) . ?
C34 C35 1.380(7) . ?
C35 C36 1.373(7) . ?
C36 C37 1.389(5) . ?
C37 N7 1.346(5) . ?
C37 N9 1.372(5) . ?
C38 N8 1.350(5) . ?
C38 N9 1.376(5) . ?
C38 C39 1.404(6) . ?
C39 C40 1.355(7) . ?
C40 C41 1.399(7) . ?
C41 C42 1.359(6) . ?
C42 N8 1.351(5) . ?
O3 Ag3 2.550(3) 1_455 ?
O3 Ag1 2.562(3) 2_556 ?
O7 Ag1 2.529(3) 2_656 ?
O8 Ag1 2.528(3) 2_656 ?
O18 Ag2 2.514(3) 2_646 ?
