#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/11/2231152.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_2231152
loop_
_publ_author_name
'Nie, Xue'
'Qu, Jing-Nian'
_publ_section_title
;
 Poly[aqua[μ₅-5-(isonicotinamido)isophthalato][μ₄-5-(isonicotinamido)isophthalato]cerium(III)silver(I)]
;
_journal_coeditor_code           HY2446
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1107
_journal_page_last               m1108
_journal_paper_doi               10.1107/S1600536811027668
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Ag Ce (C14 H8 N2 O5)2 (H2 O)]'
_chemical_formula_moiety         'C28 H18 Ag Ce N4 O11'
_chemical_formula_sum            'C28 H18 Ag Ce N4 O11'
_chemical_formula_weight         834.45
_chemical_name_systematic
;
Poly[aqua[μ₅-5-(isonicotinamido)isophthalato][μ₄-5-
(isonicotinamido)isophthalato]cerium(III)silver(I)]
;
_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                107.8530(10)
_cell_angle_beta                 106.778(2)
_cell_angle_gamma                102.885(2)
_cell_formula_units_Z            2
_cell_length_a                   10.4869(14)
_cell_length_b                   11.1540(15)
_cell_length_c                   13.7276(18)
_cell_measurement_reflns_used    4777
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.02
_cell_measurement_theta_min      2.04
_cell_volume                     1375.2(3)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker APEX CCD'
_diffrn_measurement_method       'φ and 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  0.0527
_diffrn_reflns_av_sigmaI/netI    0.0641
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6903
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    2.418
_exptl_absorpt_correction_T_max  0.7940
_exptl_absorpt_correction_T_min  0.6434
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.015
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             814
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.395
_refine_diff_density_min         -1.444
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.969
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         4777
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.969
_refine_ls_R_factor_all          0.0398
_refine_ls_R_factor_gt           0.0347
_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)+(0.0347P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0789
_refine_ls_wR_factor_ref         0.0806
_reflns_number_gt                4178
_reflns_number_total             4777
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hy2446.cif
_cod_data_source_block           I
_cod_database_code               2231152
_cod_database_fobs_code          2231152
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_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_symmetry_multiplicity
Ag Ag1 0.88225(5) 0.23184(7) 1.55049(4) 0.06266(18) Uani d . 1 1
Ce Ce1 0.63603(3) 0.45288(2) 0.61285(2) 0.01607(9) Uani d . 1 1
C C1 0.3260(5) 0.5683(4) 0.5961(4) 0.0200(10) Uani d . 1 1
C C2 0.2981(5) 0.5843(4) 0.7000(4) 0.0202(10) Uani d . 1 1
C C3 0.1600(5) 0.5553(4) 0.6961(4) 0.0222(10) Uani d . 1 1
H H3 0.0837 0.5240 0.6288 0.027 Uiso calc R 1 1
C C4 0.1376(5) 0.5735(5) 0.7933(4) 0.0234(10) Uani d . 1 1
C C5 0.2530(5) 0.6195(5) 0.8932(4) 0.0247(11) Uani d . 1 1
H H5 0.2378 0.6312 0.9584 0.030 Uiso calc R 1 1
C C6 0.3879(5) 0.6476(4) 0.8964(4) 0.0209(10) Uani d . 1 1
C C7 0.4116(5) 0.6312(4) 0.8000(4) 0.0223(10) Uani d . 1 1
H H7 0.5037 0.6517 0.8023 0.027 Uiso calc R 1 1
C C8 -0.0077(5) 0.5580(5) 0.7942(4) 0.0240(11) Uani d . 1 1
C C9 0.5223(5) 0.6542(5) 1.0769(4) 0.0236(11) Uani d . 1 1
C C10 0.6688(5) 0.7096(5) 1.1656(4) 0.0260(11) Uani d . 1 1
C C11 0.6840(6) 0.7319(6) 1.2735(4) 0.0398(14) Uani d . 1 1
H H11 0.6052 0.7199 1.2925 0.048 Uiso calc R 1 1
C C12 0.8176(6) 0.7723(7) 1.3521(4) 0.0469(16) Uani d . 1 1
H H12 0.8272 0.7904 1.4252 0.056 Uiso calc R 1 1
C C13 0.9185(6) 0.7691(7) 1.2276(5) 0.0481(16) Uani d . 1 1
H H13 0.9993 0.7828 1.2112 0.058 Uiso calc R 1 1
C C14 0.7895(6) 0.7313(6) 1.1433(4) 0.0418(14) Uani d . 1 1
H H14 0.7840 0.7205 1.0721 0.050 Uiso calc R 1 1
C C15 0.6561(5) 0.2158(5) 0.6570(4) 0.0240(11) Uani d . 1 1
C C16 0.6919(5) 0.1164(4) 0.7036(4) 0.0217(10) Uani d . 1 1
C C17 0.7361(5) 0.1512(5) 0.8175(4) 0.0258(11) Uani d . 1 1
H H17 0.7431 0.2353 0.8638 0.031 Uiso calc R 1 1
C C18 0.7693(5) 0.0620(5) 0.8619(4) 0.0252(11) Uani d . 1 1
C C19 0.7550(5) -0.0648(5) 0.7921(4) 0.0241(11) Uani d . 1 1
H H19 0.7773 -0.1255 0.8219 0.029 Uiso calc R 1 1
C C20 0.7076(5) -0.1014(4) 0.6784(4) 0.0215(10) Uani d . 1 1
C C21 0.6768(5) -0.0101(4) 0.6344(4) 0.0223(10) Uani d . 1 1
H H21 0.6460 -0.0340 0.5582 0.027 Uiso calc R 1 1
C C22 0.6810(5) -0.2419(5) 0.6031(4) 0.0212(10) Uani d . 1 1
C C23 0.7450(6) 0.0246(5) 1.0210(4) 0.0356(13) Uani d . 1 1
C C24 0.7834(6) 0.0781(5) 1.1428(4) 0.0318(12) Uani d . 1 1
C C25 0.6756(6) 0.0579(6) 1.1812(5) 0.0428(14) Uani d . 1 1
H H25 0.5819 0.0151 1.1312 0.051 Uiso calc R 1 1
C C26 0.7064(7) 0.1008(6) 1.2925(5) 0.0437(14) Uani d . 1 1
H H26 0.6321 0.0865 1.3165 0.052 Uiso calc R 1 1
C C27 0.9447(6) 0.1839(6) 1.3330(5) 0.0452(15) Uani d . 1 1
H H27 1.0375 0.2270 1.3846 0.054 Uiso calc R 1 1
C C28 0.9196(6) 0.1435(6) 1.2209(4) 0.0384(14) Uani d . 1 1
H H28 0.9950 0.1608 1.1985 0.046 Uiso calc R 1 1
N N1 0.9338(5) 0.7871(5) 1.3303(4) 0.0409(12) Uani d . 1 1
N N2 0.5085(4) 0.6990(4) 0.9965(3) 0.0249(9) Uani d . 1 1
H H2 0.5787 0.7647 1.0061 0.030 Uiso calc R 1 1
N N3 0.8395(5) 0.1627(5) 1.3687(4) 0.0401(12) Uani d . 1 1
N N4 0.8112(5) 0.0994(4) 0.9783(3) 0.0285(10) Uani d . 1 1
H H4 0.8810 0.1721 1.0226 0.034 Uiso calc R 1 1
O O1 0.4458(3) 0.5621(3) 0.5960(2) 0.0233(7) Uani d . 1 1
O O2 0.2324(4) 0.5616(4) 0.5135(3) 0.0329(9) Uani d . 1 1
O O3 -0.1121(3) 0.4777(3) 0.7074(3) 0.0280(8) Uani d . 1 1
O O4 -0.0163(4) 0.6309(4) 0.8809(3) 0.0341(9) Uani d . 1 1
O O5 0.4260(4) 0.5710(3) 1.0791(3) 0.0316(8) Uani d . 1 1
O O6 0.6166(4) 0.3009(3) 0.7118(3) 0.0280(8) Uani d . 1 1
O O7 0.6661(4) 0.2109(3) 0.5664(2) 0.0241(7) Uani d . 1 1
O O8 0.6024(4) -0.2802(3) 0.5023(3) 0.0270(8) Uani d . 1 1
O O9 0.7369(3) -0.3125(3) 0.6448(3) 0.0259(8) Uani d . 1 1
O O10 0.6548(5) -0.0862(4) 0.9625(3) 0.0639(14) Uani d . 1 1
O O1W 0.7032(3) 0.5815(3) 0.8217(3) 0.0266(8) Uani d . 1 1
H H1WB 0.7778 0.5704 0.8568 0.032 Uiso d R 1 1
H H1WA 0.6372 0.5446 0.8383 0.032 Uiso d R 1 1
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ce Ce -0.2486 2.6331 '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
N1 Ag1 N3 2_768 . 121.79(16)
N1 Ag1 O7 2_768 1_556 124.05(14)
N3 Ag1 O7 . 1_556 106.74(14)
O9 Ce1 O8 1_565 2_656 133.09(10)
O9 Ce1 O6 1_565 . 142.14(11)
O8 Ce1 O6 2_656 . 76.29(11)
O9 Ce1 O3 1_565 1_655 83.67(11)
O8 Ce1 O3 2_656 1_655 141.72(10)
O6 Ce1 O3 . 1_655 77.23(11)
O9 Ce1 O2 1_565 2_666 77.92(11)
O8 Ce1 O2 2_656 2_666 105.14(11)
O6 Ce1 O2 . 2_666 122.35(10)
O3 Ce1 O2 1_655 2_666 67.59(10)
O9 Ce1 O1 1_565 . 69.33(10)
O8 Ce1 O1 2_656 . 69.60(10)
O6 Ce1 O1 . . 113.51(10)
O3 Ce1 O1 1_655 . 147.60(10)
O2 Ce1 O1 2_666 . 120.84(10)
O9 Ce1 O1W 1_565 . 75.72(10)
O8 Ce1 O1W 2_656 . 119.75(11)
O6 Ce1 O1W . . 67.66(10)
O3 Ce1 O1W 1_655 . 73.47(10)
O2 Ce1 O1W 2_666 . 134.75(11)
O1 Ce1 O1W . . 82.50(10)
O9 Ce1 O1 1_565 2_666 79.04(10)
O8 Ce1 O1 2_656 2_666 69.80(10)
O6 Ce1 O1 . 2_666 138.81(10)
O3 Ce1 O1 1_655 2_666 117.28(10)
O2 Ce1 O1 2_666 2_666 49.96(10)
O1 Ce1 O1 . 2_666 75.80(10)
O1W Ce1 O1 . 2_666 151.22(9)
O9 Ce1 O7 1_565 . 147.39(10)
O8 Ce1 O7 2_656 . 72.15(10)
O6 Ce1 O7 . . 50.26(9)
O3 Ce1 O7 1_655 . 69.70(10)
O2 Ce1 O7 2_666 . 74.76(10)
O1 Ce1 O7 . . 141.32(10)
O1W Ce1 O7 . . 112.36(9)
O1 Ce1 O7 2_666 . 96.35(9)
O9 Ce1 C1 1_565 2_666 77.77(11)
O8 Ce1 C1 2_656 2_666 87.39(12)
O6 Ce1 C1 . 2_666 134.58(11)
O3 Ce1 C1 1_655 2_666 91.94(12)
O2 Ce1 C1 2_666 2_666 24.43(11)
O1 Ce1 C1 . 2_666 99.20(11)
O1W Ce1 C1 . 2_666 150.89(12)
O1 Ce1 C1 2_666 2_666 25.54(11)
O7 Ce1 C1 . 2_666 84.49(10)
O9 Ce1 Ce1 1_565 2_666 70.04(7)
O8 Ce1 Ce1 2_656 2_666 63.92(7)
O6 Ce1 Ce1 . 2_666 137.33(8)
O3 Ce1 Ce1 1_655 2_666 144.99(8)
O2 Ce1 Ce1 2_666 2_666 84.17(7)
O1 Ce1 Ce1 . 2_666 39.05(7)
O1W Ce1 Ce1 . 2_666 119.27(7)
O1 Ce1 Ce1 2_666 2_666 36.76(6)
O7 Ce1 Ce1 . 2_666 123.63(7)
C1 Ce1 Ce1 2_666 2_666 60.81(9)
O2 C1 O1 . . 122.0(4)
O2 C1 C2 . . 119.2(4)
O1 C1 C2 . . 118.8(4)
O2 C1 Ce1 . 2_666 56.7(2)
O1 C1 Ce1 . 2_666 65.3(2)
C2 C1 Ce1 . 2_666 175.4(3)
C7 C2 C3 . . 120.4(4)
C7 C2 C1 . . 119.1(4)
C3 C2 C1 . . 120.4(4)
C4 C3 C2 . . 119.2(4)
C4 C3 H3 . . 120.4
C2 C3 H3 . . 120.4
C3 C4 C5 . . 119.6(4)
C3 C4 C8 . . 120.7(4)
C5 C4 C8 . . 119.5(4)
C6 C5 C4 . . 120.9(4)
C6 C5 H5 . . 119.6
C4 C5 H5 . . 119.6
C5 C6 C7 . . 120.0(4)
C5 C6 N2 . . 122.7(4)
C7 C6 N2 . . 117.2(4)
C6 C7 C2 . . 119.9(4)
C6 C7 H7 . . 120.1
C2 C7 H7 . . 120.1
O3 C8 O4 . . 124.5(4)
O3 C8 C4 . . 118.0(4)
O4 C8 C4 . . 117.4(4)
O5 C9 N2 . . 123.9(4)
O5 C9 C10 . . 121.0(4)
N2 C9 C10 . . 115.1(4)
C14 C10 C11 . . 117.8(5)
C14 C10 C9 . . 122.9(4)
C11 C10 C9 . . 119.1(5)
C12 C11 C10 . . 118.6(5)
C12 C11 H11 . . 120.7
C10 C11 H11 . . 120.7
N1 C12 C11 . . 123.9(5)
N1 C12 H12 . . 118.0
C11 C12 H12 . . 118.0
N1 C13 C14 . . 123.5(5)
N1 C13 H13 . . 118.2
C14 C13 H13 . . 118.2
C10 C14 C13 . . 119.1(5)
C10 C14 H14 . . 120.4
C13 C14 H14 . . 120.4
O6 C15 O7 . . 122.8(4)
O6 C15 C16 . . 116.8(4)
O7 C15 C16 . . 120.4(4)
C21 C16 C17 . . 119.9(4)
C21 C16 C15 . . 120.7(4)
C17 C16 C15 . . 119.4(4)
C18 C17 C16 . . 120.4(4)
C18 C17 H17 . . 119.8
C16 C17 H17 . . 119.8
C17 C18 C19 . . 119.6(4)
C17 C18 N4 . . 119.0(4)
C19 C18 N4 . . 121.3(4)
C20 C19 C18 . . 120.4(4)
C20 C19 H19 . . 119.8
C18 C19 H19 . . 119.8
C21 C20 C19 . . 119.7(4)
C21 C20 C22 . . 120.2(4)
C19 C20 C22 . . 120.0(4)
C16 C21 C20 . . 120.0(4)
C16 C21 H21 . . 120.0
C20 C21 H21 . . 120.0
O9 C22 O8 . . 125.2(4)
O9 C22 C20 . . 117.9(4)
O8 C22 C20 . . 116.9(4)
O10 C23 N4 . . 121.8(5)
O10 C23 C24 . . 119.4(5)
N4 C23 C24 . . 118.8(5)
C28 C24 C25 . . 117.2(5)
C28 C24 C23 . . 124.7(5)
C25 C24 C23 . . 118.1(5)
C26 C25 C24 . . 120.1(6)
C26 C25 H25 . . 119.9
C24 C25 H25 . . 119.9
N3 C26 C25 . . 122.7(6)
N3 C26 H26 . . 118.6
C25 C26 H26 . . 118.6
N3 C27 C28 . . 121.9(6)
N3 C27 H27 . . 119.1
C28 C27 H27 . . 119.1
C24 C28 C27 . . 120.2(5)
C24 C28 H28 . . 119.9
C27 C28 H28 . . 119.9
C13 N1 C12 . . 116.9(5)
C13 N1 Ag1 . 2_768 123.5(4)
C12 N1 Ag1 . 2_768 116.1(3)
C9 N2 C6 . . 125.4(4)
C9 N2 H2 . . 117.3
C6 N2 H2 . . 117.3
C27 N3 C26 . . 117.9(5)
C27 N3 Ag1 . . 121.3(4)
C26 N3 Ag1 . . 120.8(4)
C23 N4 C18 . . 122.0(4)
C23 N4 H4 . . 119.0
C18 N4 H4 . . 119.0
C1 O1 Ce1 . . 152.6(3)
C1 O1 Ce1 . 2_666 89.1(3)
Ce1 O1 Ce1 . 2_666 104.20(10)
C1 O2 Ce1 . 2_666 98.9(3)
C8 O3 Ce1 . 1_455 137.7(3)
C15 O6 Ce1 . . 97.7(3)
C15 O7 Ag1 . 1_554 119.3(3)
C15 O7 Ce1 . . 87.7(2)
Ag1 O7 Ce1 1_554 . 107.58(12)
C22 O8 Ce1 . 2_656 131.5(3)
C22 O9 Ce1 . 1_545 129.5(3)
Ce1 O1W H1WB . . 108.0
Ce1 O1W H1WA . . 107.2
H1WB O1W H1WA . . 107.1
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Ag1 N1 2_768 2.239(4)
Ag1 N3 . 2.246(4)
Ag1 O7 1_556 2.306(3)
Ce1 O9 1_565 2.439(3)
Ce1 O8 2_656 2.483(3)
Ce1 O6 . 2.485(3)
Ce1 O3 1_655 2.493(3)
Ce1 O2 2_666 2.499(3)
Ce1 O1 . 2.551(3)
Ce1 O1W . 2.576(3)
Ce1 O1 2_666 2.685(3)
Ce1 O7 . 2.690(3)
C1 O2 . 1.237(5)
C1 O1 . 1.274(5)
C1 C2 . 1.503(6)
C2 C7 . 1.383(6)
C2 C3 . 1.393(6)
C3 C4 . 1.384(6)
C3 H3 . 0.9300
C4 C5 . 1.394(6)
C4 C8 . 1.498(6)
C5 C6 . 1.364(6)
C5 H5 . 0.9300
C6 C7 . 1.382(6)
C6 N2 . 1.416(6)
C7 H7 . 0.9300
C8 O3 . 1.255(6)
C8 O4 . 1.260(5)
C9 O5 . 1.225(6)
C9 N2 . 1.329(6)
C9 C10 . 1.503(7)
C10 C14 . 1.374(7)
C10 C11 . 1.378(7)
C11 C12 . 1.371(7)
C11 H11 . 0.9300
C12 N1 . 1.324(7)
C12 H12 . 0.9300
C13 N1 . 1.318(7)
C13 C14 . 1.374(8)
C13 H13 . 0.9300
C14 H14 . 0.9300
C15 O6 . 1.247(5)
C15 O7 . 1.264(5)
C15 C16 . 1.503(6)
C16 C21 . 1.383(6)
C16 C17 . 1.393(6)
C17 C18 . 1.374(6)
C17 H17 . 0.9300
C18 C19 . 1.390(6)
C18 N4 . 1.423(6)
C19 C20 . 1.386(6)
C19 H19 . 0.9300
C20 C21 . 1.385(6)
C20 C22 . 1.499(6)
C21 H21 . 0.9300
C22 O9 . 1.256(5)
C22 O8 . 1.265(5)
C23 O10 . 1.224(6)
C23 N4 . 1.341(6)
C23 C24 . 1.485(7)
C24 C28 . 1.376(8)
C24 C25 . 1.382(8)
C25 C26 . 1.365(7)
C25 H25 . 0.9300
C26 N3 . 1.343(8)
C26 H26 . 0.9300
C27 N3 . 1.335(7)
C27 C28 . 1.388(7)
C27 H27 . 0.9300
C28 H28 . 0.9300
N2 H2 . 0.8600
N4 H4 . 0.8600
O1W H1WB . 0.8500
O1W H1WA . 0.8500
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
O1W H1WA O5 2_667 0.85 2.08 2.836(5) 147
O1W H1WB O4 1_655 0.85 2.01 2.691(6) 137
N2 H2 O10 1_565 0.86 2.01 2.788(7) 149
N4 H4 O4 2_667 0.86 2.08 2.926(6) 167
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O2 C1 C2 C7 . . -160.8(4)
O1 C1 C2 C7 . . 19.1(6)
O2 C1 C2 C3 . . 17.6(7)
O1 C1 C2 C3 . . -162.4(4)
C7 C2 C3 C4 . . -0.3(7)
C1 C2 C3 C4 . . -178.7(4)
C2 C3 C4 C5 . . -0.5(7)
C2 C3 C4 C8 . . 173.2(4)
C3 C4 C5 C6 . . 0.5(7)
C8 C4 C5 C6 . . -173.3(4)
C4 C5 C6 C7 . . 0.3(7)
C4 C5 C6 N2 . . 177.7(4)
C5 C6 C7 C2 . . -1.0(7)
N2 C6 C7 C2 . . -178.6(4)
C3 C2 C7 C6 . . 1.0(7)
C1 C2 C7 C6 . . 179.4(4)
C3 C4 C8 O3 . . 29.7(7)
C5 C4 C8 O3 . . -156.5(4)
C3 C4 C8 O4 . . -147.4(4)
C5 C4 C8 O4 . . 26.3(6)
O5 C9 C10 C14 . . 139.0(5)
N2 C9 C10 C14 . . -38.8(7)
O5 C9 C10 C11 . . -36.7(7)
N2 C9 C10 C11 . . 145.5(5)
C14 C10 C11 C12 . . -1.0(8)
C9 C10 C11 C12 . . 174.9(5)
C10 C11 C12 N1 . . -2.4(10)
C11 C10 C14 C13 . . 2.4(8)
C9 C10 C14 C13 . . -173.4(5)
N1 C13 C14 C10 . . -0.5(10)
O6 C15 C16 C21 . . 151.8(5)
O7 C15 C16 C21 . . -28.0(7)
O6 C15 C16 C17 . . -26.0(7)
O7 C15 C16 C17 . . 154.2(5)
C21 C16 C17 C18 . . 2.2(7)
C15 C16 C17 C18 . . 180.0(4)
C16 C17 C18 C19 . . -1.7(8)
C16 C17 C18 N4 . . -178.7(4)
C17 C18 C19 C20 . . 0.0(7)
N4 C18 C19 C20 . . 176.9(5)
C18 C19 C20 C21 . . 1.2(7)
C18 C19 C20 C22 . . -175.0(4)
C17 C16 C21 C20 . . -1.0(7)
C15 C16 C21 C20 . . -178.7(4)
C19 C20 C21 C16 . . -0.7(7)
C22 C20 C21 C16 . . 175.4(4)
C21 C20 C22 O9 . . 165.3(4)
C19 C20 C22 O9 . . -18.5(6)
C21 C20 C22 O8 . . -15.4(7)
C19 C20 C22 O8 . . 160.8(4)
O10 C23 C24 C28 . . 137.3(6)
N4 C23 C24 C28 . . -42.4(8)
O10 C23 C24 C25 . . -40.9(8)
N4 C23 C24 C25 . . 139.4(5)
C28 C24 C25 C26 . . -0.8(8)
C23 C24 C25 C26 . . 177.5(5)
C24 C25 C26 N3 . . -0.3(9)
C25 C24 C28 C27 . . 1.4(8)
C23 C24 C28 C27 . . -176.8(5)
N3 C27 C28 C24 . . -0.9(9)
C14 C13 N1 C12 . . -2.7(10)
C14 C13 N1 Ag1 . 2_768 154.9(5)
C11 C12 N1 C13 . . 4.2(10)
C11 C12 N1 Ag1 . 2_768 -155.1(5)
O5 C9 N2 C6 . . -7.6(7)
C10 C9 N2 C6 . . 170.2(4)
C5 C6 N2 C9 . . 45.2(7)
C7 C6 N2 C9 . . -137.3(5)
C28 C27 N3 C26 . . -0.2(8)
C28 C27 N3 Ag1 . . -179.0(4)
C25 C26 N3 C27 . . 0.8(9)
C25 C26 N3 Ag1 . . 179.6(4)
N1 Ag1 N3 C27 2_768 . -40.7(5)
O7 Ag1 N3 C27 1_556 . 168.3(4)
N1 Ag1 N3 C26 2_768 . 140.5(4)
O7 Ag1 N3 C26 1_556 . -10.4(5)
O10 C23 N4 C18 . . 7.5(8)
C24 C23 N4 C18 . . -172.8(4)
C17 C18 N4 C23 . . 124.9(5)
C19 C18 N4 C23 . . -52.0(7)
O2 C1 O1 Ce1 . . -118.1(6)
C2 C1 O1 Ce1 . . 62.0(8)
Ce1 C1 O1 Ce1 2_666 . -120.2(6)
O2 C1 O1 Ce1 . 2_666 2.1(4)
C2 C1 O1 Ce1 . 2_666 -177.8(4)
O9 Ce1 O1 C1 1_565 . -159.6(6)
O8 Ce1 O1 C1 2_656 . 43.6(6)
O6 Ce1 O1 C1 . . -20.4(6)
O3 Ce1 O1 C1 1_655 . -124.1(6)
O2 Ce1 O1 C1 2_666 . 139.5(6)
O1W Ce1 O1 C1 . . -82.1(6)
O1 Ce1 O1 C1 2_666 . 117.0(7)
O7 Ce1 O1 C1 . . 34.7(7)
C1 Ce1 O1 C1 2_666 . 127.3(6)
Ce1 Ce1 O1 C1 2_666 . 117.0(7)
O9 Ce1 O1 Ce1 1_565 2_666 83.44(12)
O8 Ce1 O1 Ce1 2_656 2_666 -73.38(11)
O6 Ce1 O1 Ce1 . 2_666 -137.43(11)
O3 Ce1 O1 Ce1 1_655 2_666 118.93(17)
O2 Ce1 O1 Ce1 2_666 2_666 22.50(16)
O1W Ce1 O1 Ce1 . 2_666 160.95(12)
O1 Ce1 O1 Ce1 2_666 2_666 0.0
O7 Ce1 O1 Ce1 . 2_666 -82.34(16)
C1 Ce1 O1 Ce1 2_666 2_666 10.33(13)
O1 C1 O2 Ce1 . 2_666 -2.3(5)
C2 C1 O2 Ce1 . 2_666 177.6(3)
O4 C8 O3 Ce1 . 1_455 26.3(8)
C4 C8 O3 Ce1 . 1_455 -150.6(3)
O7 C15 O6 Ce1 . . -13.1(5)
C16 C15 O6 Ce1 . . 167.0(4)
O9 Ce1 O6 C15 1_565 . -129.0(3)
O8 Ce1 O6 C15 2_656 . 84.7(3)
O3 Ce1 O6 C15 1_655 . -67.4(3)
O2 Ce1 O6 C15 2_666 . -14.7(3)
O1 Ce1 O6 C15 . . 144.9(3)
O1W Ce1 O6 C15 . . -144.5(3)
O1 Ce1 O6 C15 2_666 . 49.7(4)
O7 Ce1 O6 C15 . . 6.7(3)
C1 Ce1 O6 C15 2_666 . 12.6(4)
Ce1 Ce1 O6 C15 2_666 . 105.9(3)
O6 C15 O7 Ag1 . 1_554 121.0(4)
C16 C15 O7 Ag1 . 1_554 -59.2(5)
O6 C15 O7 Ce1 . . 12.0(5)
C16 C15 O7 Ce1 . . -168.1(4)
O9 Ce1 O7 C15 1_565 . 120.7(3)
O8 Ce1 O7 C15 2_656 . -93.3(3)
O6 Ce1 O7 C15 . . -6.6(3)
O3 Ce1 O7 C15 1_655 . 83.5(3)
O2 Ce1 O7 C15 2_666 . 154.8(3)
O1 Ce1 O7 C15 . . -84.5(3)
O1W Ce1 O7 C15 . . 22.2(3)
O1 Ce1 O7 C15 2_666 . -159.7(3)
C1 Ce1 O7 C15 2_666 . 177.6(3)
Ce1 Ce1 O7 C15 2_666 . -133.1(3)
O9 Ce1 O7 Ag1 1_565 1_554 0.7(2)
O8 Ce1 O7 Ag1 2_656 1_554 146.62(14)
O6 Ce1 O7 Ag1 . 1_554 -126.60(18)
O3 Ce1 O7 Ag1 1_655 1_554 -36.53(12)
O2 Ce1 O7 Ag1 2_666 1_554 34.77(12)
O1 Ce1 O7 Ag1 . 1_554 155.43(12)
O1W Ce1 O7 Ag1 . 1_554 -97.83(13)
O1 Ce1 O7 Ag1 2_666 1_554 80.25(12)
C1 Ce1 O7 Ag1 2_666 1_554 57.59(13)
Ce1 Ce1 O7 Ag1 2_666 1_554 106.86(10)
O9 C22 O8 Ce1 . 2_656 65.6(6)
C20 C22 O8 Ce1 . 2_656 -113.6(4)
O8 C22 O9 Ce1 . 1_545 -41.8(6)
C20 C22 O9 Ce1 . 1_545 137.4(3)
