# Electronic Supplementary Material (ESI) for CrystEngComm
# This journal is © The Royal Society of Chemistry 2012


data_global
_journal_name_full               CrystEngComm
_journal_coden_cambridge         1350
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_email       yaguangsun@yahoo.com
_publ_contact_author_name        'Ya-guang Sun'
loop_
_publ_author_name
'Yaguang Sun'
'Fu Ding'
'Xiao Song'
'Bing Jiang'
P.F.Smet
P.Dirk
'Gang Xiong'
'Yongli Wu'
'Enjun Gao'
F.Verpoort

data_c090223a
_database_code_depnum_ccdc_archive 'CCDC 798449'
#TrackingRef 'web_deposit_cif_file_0_BingJiang_1288142251.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H14 Ag Ho N4 O11'
_chemical_formula_weight         735.13

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'
Ho Ho -0.2175 4.6783 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   Cc

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'

_cell_length_a                   10.081(2)
_cell_length_b                   22.229(4)
_cell_length_c                   9.4620(19)
_cell_angle_alpha                90.00
_cell_angle_beta                 114.50(3)
_cell_angle_gamma                90.00
_cell_volume                     1929.4(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       0
_exptl_crystal_colour            0
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.531
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1408
_exptl_absorpt_coefficient_mu    5.165
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.5113
_exptl_absorpt_correction_T_max  0.7823
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7279
_diffrn_reflns_av_R_equivalents  0.0226
_diffrn_reflns_av_sigmaI/netI    0.0488
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         3.53
_diffrn_reflns_theta_max         27.48
_reflns_number_total             4288
_reflns_number_gt                4247
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0188P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    NONE
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.028(7)
_refine_ls_number_reflns         4288
_refine_ls_number_parameters     316
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0217
_refine_ls_R_factor_gt           0.0213
_refine_ls_wR_factor_ref         0.0527
_refine_ls_wR_factor_gt          0.0525
_refine_ls_goodness_of_fit_ref   0.973
_refine_ls_restrained_S_all      0.973
_refine_ls_shift/su_max          0.045
_refine_ls_shift/su_mean         0.008

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
O5 O 0.5001(4) 0.16486(14) 0.5483(4) 0.0203(7) Uani 1 1 d . . .
O6 O 0.3663(3) 0.16447(14) 0.6808(3) 0.0170(7) Uani 1 1 d . . .
C16 C 0.4070(4) 0.14020(19) 0.5878(5) 0.0144(9) Uani 1 1 d . . .
Ho1 Ho 0.06258(3) 0.255091(7) 0.23020(3) 0.01351(5) Uani 1 1 d . . .
Ag1 Ag 0.11533(4) 0.586748(18) 0.41219(4) 0.02697(10) Uani 1 1 d . . .
O1 O 0.1431(4) 0.33071(16) 0.4191(4) 0.0234(8) Uani 1 1 d . . .
O2 O 0.3372(3) 0.28312(15) 0.5764(3) 0.0232(8) Uani 1 1 d . . .
O3 O 0.4643(4) 0.27488(16) 0.8996(4) 0.0241(7) Uani 1 1 d . . .
O4 O 0.3337(6) 0.32200(18) 1.0015(5) 0.0516(13) Uani 1 1 d . . .
O7 O 0.1231(4) 0.09870(14) 0.1241(3) 0.0228(7) Uani 1 1 d . . .
O8 O 0.1782(3) 0.16278(13) 0.3199(3) 0.0187(7) Uani 1 1 d . . .
O9 O 0.0735(4) 0.21000(15) -0.0043(3) 0.0238(8) Uani 1 1 d . . .
H9A H 0.1555 0.2008 -0.0039 0.029 Uiso 1 1 d R . .
H9B H -0.0045 0.2038 -0.0851 0.029 Uiso 1 1 d R . .
O12 O 0.2975(3) 0.27386(17) 0.2418(4) 0.0246(7) Uani 1 1 d . . .
H12A H 0.3725 0.2616 0.3191 0.030 Uiso 1 1 d R . .
H12B H 0.3070 0.2931 0.1690 0.030 Uiso 1 1 d R . .
N1 N 0.4250(5) 0.54184(17) 0.8764(4) 0.0228(9) Uani 1 1 d . . .
H1A H 0.4834 0.5533 0.9680 0.027 Uiso 1 1 calc R . .
N2 N 0.2692(4) 0.54701(18) 0.6297(4) 0.0206(9) Uani 1 1 d . . .
N3 N 0.4675(4) -0.08053(16) 0.6704(4) 0.0174(8) Uani 1 1 d . . .
N4 N 0.3280(5) -0.10289(18) 0.4253(4) 0.0252(9) Uani 1 1 d . . .
H4A H 0.2844 -0.1242 0.3430 0.030 Uiso 1 1 calc R . .
C1 C 0.3491(6) 0.5774(2) 0.7561(6) 0.0262(11) Uani 1 1 d . . .
H1 H 0.3523 0.6192 0.7611 0.031 Uiso 1 1 calc R . .
C2 C 0.2945(5) 0.48746(19) 0.6693(5) 0.0150(9) Uani 1 1 d . . .
C3 C 0.2460(5) 0.4359(2) 0.5812(5) 0.0151(9) Uani 1 1 d . . .
H3 H 0.1838 0.4384 0.4763 0.018 Uiso 1 1 calc R . .
C4 C 0.2912(5) 0.3804(2) 0.6511(5) 0.0141(9) Uani 1 1 d . . .
C5 C 0.2532(5) 0.32777(19) 0.5420(5) 0.0137(9) Uani 1 1 d . . .
C6 C 0.3755(5) 0.3766(2) 0.8135(5) 0.0136(8) Uani 1 1 d . . .
C7 C 0.3929(5) 0.3193(2) 0.9099(5) 0.0179(9) Uani 1 1 d . . .
C8 C 0.4267(5) 0.4275(2) 0.9006(5) 0.0189(10) Uani 1 1 d . . .
H8 H 0.4833 0.4252 1.0070 0.023 Uiso 1 1 calc R . .
C9 C 0.3918(5) 0.4828(2) 0.8257(5) 0.0178(9) Uani 1 1 d . . .
C10 C 0.4177(5) -0.1238(2) 0.5661(5) 0.0223(10) Uani 1 1 d . . .
H10 H 0.4418 -0.1642 0.5875 0.027 Uiso 1 1 calc R . .
C11 C 0.3184(5) -0.04123(19) 0.4363(5) 0.0168(9) Uani 1 1 d . . .
C12 C 0.2434(5) 0.0031(2) 0.3295(5) 0.0161(9) Uani 1 1 d . . .
H12 H 0.1807 -0.0068 0.2281 0.019 Uiso 1 1 calc R . .
C13 C 0.2647(5) 0.06254(18) 0.3788(5) 0.0131(8) Uani 1 1 d . . .
C14 C 0.1827(4) 0.11155(19) 0.2656(5) 0.0147(9) Uani 1 1 d . . .
C15 C 0.3609(5) 0.07645(18) 0.5314(5) 0.0128(8) Uani 1 1 d . . .
C17 C 0.4312(5) 0.0321(2) 0.6392(5) 0.0182(9) Uani 1 1 d . . .
H17 H 0.4929 0.0417 0.7411 0.022 Uiso 1 1 calc R . .
C18 C 0.4059(5) -0.0281(2) 0.5894(5) 0.0158(9) Uani 1 1 d . . .
O10 O 0.1372(5) 0.7704(3) 0.2429(6) 0.0632(14) Uani 1 1 d . . .
H10A H 0.1841 0.7848 0.1940 0.076 Uiso 1 1 d R . .
H10B H 0.1827 0.7582 0.3358 0.076 Uiso 1 1 d R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
O5 0.0196(16) 0.0190(19) 0.0248(17) -0.0071(15) 0.0118(14) -0.0090(15)
O6 0.0214(18) 0.0112(16) 0.0197(16) -0.0013(12) 0.0099(14) -0.0003(12)
C16 0.014(2) 0.012(2) 0.0099(19) -0.0014(15) -0.0020(17) 0.0035(17)
Ho1 0.01527(9) 0.01148(9) 0.01345(8) 0.00013(9) 0.00564(7) -0.00041(10)
Ag1 0.02608(17) 0.0328(2) 0.01942(15) 0.00141(15) 0.00683(13) 0.00052(16)
O1 0.022(2) 0.022(2) 0.0167(16) -0.0051(15) -0.0005(15) 0.0040(15)
O2 0.0271(18) 0.0158(18) 0.0213(16) -0.0035(13) 0.0045(15) 0.0075(14)
O3 0.034(2) 0.0161(18) 0.0290(18) 0.0035(14) 0.0201(16) 0.0065(15)
O4 0.108(4) 0.026(2) 0.061(3) 0.015(2) 0.075(3) 0.020(2)
O7 0.0291(18) 0.0198(17) 0.0129(15) -0.0014(12) 0.0022(14) -0.0001(14)
O8 0.0204(16) 0.0123(16) 0.0175(15) -0.0001(12) 0.0021(13) 0.0048(13)
O9 0.0221(17) 0.031(2) 0.0150(15) -0.0043(13) 0.0039(13) 0.0072(15)
O12 0.0155(16) 0.035(2) 0.0220(17) 0.0083(15) 0.0069(14) -0.0023(15)
N1 0.032(2) 0.017(2) 0.0171(19) -0.0074(15) 0.0080(17) -0.0075(17)
N2 0.025(2) 0.016(2) 0.0213(19) -0.0002(15) 0.0093(17) 0.0000(16)
N3 0.0209(19) 0.0103(19) 0.0223(18) 0.0038(14) 0.0103(16) 0.0031(15)
N4 0.034(2) 0.016(2) 0.022(2) -0.0058(16) 0.0083(18) -0.0004(18)
C1 0.035(3) 0.016(3) 0.028(3) -0.003(2) 0.015(2) -0.006(2)
C2 0.019(2) 0.009(2) 0.018(2) 0.0011(16) 0.0088(18) -0.0002(17)
C3 0.014(2) 0.018(2) 0.0104(19) 0.0014(16) 0.0016(16) -0.0007(17)
C4 0.0096(18) 0.017(2) 0.015(2) -0.0025(16) 0.0046(16) -0.0028(16)
C5 0.016(2) 0.012(2) 0.014(2) 0.0014(16) 0.0078(17) -0.0014(17)
C6 0.019(2) 0.011(2) 0.0150(19) -0.0006(16) 0.0105(17) 0.0029(17)
C7 0.026(2) 0.016(2) 0.015(2) 0.0058(17) 0.0119(19) 0.0002(19)
C8 0.018(2) 0.026(3) 0.0113(19) -0.0005(17) 0.0049(17) 0.0011(19)
C9 0.022(2) 0.018(2) 0.017(2) -0.0041(17) 0.0118(18) -0.0033(18)
C10 0.023(2) 0.020(3) 0.023(2) 0.0028(19) 0.0086(19) 0.002(2)
C11 0.020(2) 0.009(2) 0.021(2) -0.0032(17) 0.0074(19) 0.0014(17)
C12 0.017(2) 0.016(2) 0.0143(19) -0.0006(16) 0.0050(17) -0.0024(17)
C13 0.0114(19) 0.012(2) 0.017(2) -0.0013(16) 0.0063(17) -0.0008(16)
C14 0.013(2) 0.012(2) 0.019(2) -0.0039(16) 0.0074(17) 0.0006(16)
C15 0.017(2) 0.007(2) 0.017(2) -0.0003(16) 0.0101(17) -0.0023(16)
C17 0.016(2) 0.021(3) 0.016(2) -0.0037(18) 0.0056(18) 0.0013(18)
C18 0.022(2) 0.012(2) 0.019(2) -0.0001(16) 0.0146(19) 0.0006(18)
O10 0.040(3) 0.118(4) 0.037(3) 0.009(3) 0.021(2) 0.012(3)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
O5 C16 1.269(6) . ?
O5 Ho1 2.372(3) 4 ?
O5 Ag1 2.695(4) 3_545 ?
O6 C16 1.238(5) . ?
O6 Ho1 2.562(3) 4 ?
C16 C15 1.518(6) . ?
C16 Ho1 2.818(4) 4 ?
Ho1 O2 2.294(3) 4_454 ?
Ho1 O3 2.305(3) 4_454 ?
Ho1 O1 2.340(3) . ?
Ho1 O8 2.339(3) . ?
Ho1 O12 2.362(3) . ?
Ho1 O5 2.372(3) 4_454 ?
Ho1 O9 2.479(3) . ?
Ho1 O6 2.562(3) 4_454 ?
Ho1 C16 2.818(4) 4_454 ?
Ag1 N3 2.156(4) 4_454 ?
Ag1 N2 2.185(4) . ?
Ag1 O5 2.695(4) 3_455 ?
O1 C5 1.232(5) . ?
O2 C5 1.257(5) . ?
O2 Ho1 2.294(3) 4 ?
O3 C7 1.250(5) . ?
O3 Ho1 2.305(3) 4 ?
O4 C7 1.240(6) . ?
O7 C14 1.252(5) . ?
O8 C14 1.258(5) . ?
O9 H9A 0.8499 . ?
O9 H9B 0.8499 . ?
O12 H12A 0.8499 . ?
O12 H12B 0.8501 . ?
N1 C1 1.335(6) . ?
N1 C9 1.390(6) . ?
N1 H1A 0.8600 . ?
N2 C1 1.318(6) . ?
N2 C2 1.371(6) . ?
N3 C10 1.319(6) . ?
N3 C18 1.391(6) . ?
N3 Ag1 2.156(4) 4 ?
N4 C10 1.345(6) . ?
N4 C11 1.381(5) . ?
N4 H4A 0.8600 . ?
C1 H1 0.9300 . ?
C2 C3 1.383(6) . ?
C2 C9 1.400(6) . ?
C3 C4 1.384(6) . ?
C3 H3 0.9300 . ?
C4 C6 1.417(6) . ?
C4 C5 1.501(6) . ?
C6 C8 1.369(6) . ?
C6 C7 1.533(6) . ?
C8 C9 1.388(6) . ?
C8 H8 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.388(6) . ?
C11 C18 1.379(6) . ?
C12 C13 1.389(6) . ?
C12 H12 0.9300 . ?
C13 C15 1.400(6) . ?
C13 C14 1.511(6) . ?
C15 C17 1.385(6) . ?
C17 C18 1.406(6) . ?
C17 H17 0.9300 . ?
O10 H10A 0.8500 . ?
O10 H10B 0.8500 . ?

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
C16 O5 Ho1 96.7(3) . 4 ?
C16 O5 Ag1 112.4(3) . 3_545 ?
Ho1 O5 Ag1 142.43(14) 4 3_545 ?
C16 O6 Ho1 88.6(3) . 4 ?
O6 C16 O5 121.6(4) . . ?
O6 C16 C15 120.9(4) . . ?
O5 C16 C15 117.1(4) . . ?
O6 C16 Ho1 65.4(2) . 4 ?
O5 C16 Ho1 56.7(2) . 4 ?
C15 C16 Ho1 165.5(3) . 4 ?
O2 Ho1 O3 74.68(12) 4_454 4_454 ?
O2 Ho1 O1 133.57(13) 4_454 . ?
O3 Ho1 O1 77.84(13) 4_454 . ?
O2 Ho1 O8 96.83(12) 4_454 . ?
O3 Ho1 O8 77.71(12) 4_454 . ?
O1 Ho1 O8 112.97(11) . . ?
O2 Ho1 O12 143.66(12) 4_454 . ?
O3 Ho1 O12 136.92(12) 4_454 . ?
O1 Ho1 O12 79.28(13) . . ?
O8 Ho1 O12 78.40(12) . . ?
O2 Ho1 O5 85.54(12) 4_454 4_454 ?
O3 Ho1 O5 131.31(12) 4_454 4_454 ?
O1 Ho1 O5 85.35(10) . 4_454 ?
O8 Ho1 O5 149.77(12) . 4_454 ?
O12 Ho1 O5 81.99(12) . 4_454 ?
O2 Ho1 O9 71.47(12) 4_454 . ?
O3 Ho1 O9 134.20(12) 4_454 . ?
O1 Ho1 O9 147.59(13) . . ?
O8 Ho1 O9 76.68(11) . . ?
O12 Ho1 O9 72.38(12) . . ?
O5 Ho1 O9 75.57(11) 4_454 . ?
O2 Ho1 O6 69.86(11) 4_454 4_454 ?
O3 Ho1 O6 78.85(12) 4_454 4_454 ?
O1 Ho1 O6 68.59(11) . 4_454 ?
O8 Ho1 O6 155.45(11) . 4_454 ?
O12 Ho1 O6 124.66(11) . 4_454 ?
O5 Ho1 O6 52.51(11) 4_454 4_454 ?
O9 Ho1 O6 115.88(10) . 4_454 ?
O2 Ho1 C16 78.11(12) 4_454 4_454 ?
O3 Ho1 C16 104.89(13) 4_454 4_454 ?
O1 Ho1 C16 73.73(12) . 4_454 ?
O8 Ho1 C16 173.28(11) . 4_454 ?
O12 Ho1 C16 102.99(13) . 4_454 ?
O5 Ho1 C16 26.58(12) 4_454 4_454 ?
O9 Ho1 C16 97.38(12) . 4_454 ?
O6 Ho1 C16 26.06(11) 4_454 4_454 ?
N3 Ag1 N2 151.90(14) 4_454 . ?
N3 Ag1 O5 107.64(13) 4_454 3_455 ?
N2 Ag1 O5 95.08(13) . 3_455 ?
C5 O1 Ho1 125.0(3) . . ?
C5 O2 Ho1 147.2(3) . 4 ?
C7 O3 Ho1 135.3(3) . 4 ?
C14 O8 Ho1 138.0(3) . . ?
Ho1 O9 H9A 119.8 . . ?
Ho1 O9 H9B 120.2 . . ?
H9A O9 H9B 120.0 . . ?
Ho1 O12 H12A 120.0 . . ?
Ho1 O12 H12B 120.0 . . ?
H12A O12 H12B 120.0 . . ?
C1 N1 C9 107.1(4) . . ?
C1 N1 H1A 126.4 . . ?
C9 N1 H1A 126.4 . . ?
C1 N2 C2 105.8(4) . . ?
C1 N2 Ag1 125.2(3) . . ?
C2 N2 Ag1 128.8(3) . . ?
C10 N3 C18 104.7(4) . . ?
C10 N3 Ag1 128.9(3) . 4 ?
C18 N3 Ag1 126.3(3) . 4 ?
C10 N4 C11 107.9(4) . . ?
C10 N4 H4A 126.0 . . ?
C11 N4 H4A 126.0 . . ?
N2 C1 N1 112.9(4) . . ?
N2 C1 H1 123.5 . . ?
N1 C1 H1 123.5 . . ?
N2 C2 C3 131.1(4) . . ?
N2 C2 C9 109.3(4) . . ?
C3 C2 C9 119.6(4) . . ?
C4 C3 C2 119.1(4) . . ?
C4 C3 H3 120.4 . . ?
C2 C3 H3 120.4 . . ?
C3 C4 C6 120.2(4) . . ?
C3 C4 C5 115.2(4) . . ?
C6 C4 C5 124.5(4) . . ?
O1 C5 O2 122.2(4) . . ?
O1 C5 C4 118.7(4) . . ?
O2 C5 C4 119.0(4) . . ?
C8 C6 C4 120.6(4) . . ?
C8 C6 C7 114.0(4) . . ?
C4 C6 C7 124.3(4) . . ?
O3 C7 O4 123.5(4) . . ?
O3 C7 C6 122.5(4) . . ?
O4 C7 C6 113.9(4) . . ?
C9 C8 C6 118.2(4) . . ?
C9 C8 H8 120.9 . . ?
C6 C8 H8 120.9 . . ?
C8 C9 N1 133.3(4) . . ?
C8 C9 C2 121.6(4) . . ?
N1 C9 C2 104.9(4) . . ?
N3 C10 N4 112.3(4) . . ?
N3 C10 H10 123.8 . . ?
N4 C10 H10 123.8 . . ?
N4 C11 C12 133.1(4) . . ?
N4 C11 C18 104.7(4) . . ?
C12 C11 C18 122.2(4) . . ?
C13 C12 C11 118.0(4) . . ?
C13 C12 H12 121.0 . . ?
C11 C12 H12 121.0 . . ?
C12 C13 C15 120.1(4) . . ?
C12 C13 C14 119.0(4) . . ?
C15 C13 C14 120.9(4) . . ?
O8 C14 O7 124.1(4) . . ?
O8 C14 C13 117.7(4) . . ?
O7 C14 C13 118.2(4) . . ?
C17 C15 C13 121.8(4) . . ?
C17 C15 C16 114.7(4) . . ?
C13 C15 C16 123.3(4) . . ?
C15 C17 C18 117.7(4) . . ?
C15 C17 H17 121.2 . . ?
C18 C17 H17 121.1 . . ?
N3 C18 C11 110.3(4) . . ?
N3 C18 C17 129.4(4) . . ?
C11 C18 C17 120.1(4) . . ?
H10A O10 H10B 120.0 . . ?

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
Ho1 O6 C16 O5 -7.5(4) 4 . . . ?
Ho1 O6 C16 C15 165.1(3) 4 . . . ?
Ho1 O5 C16 O6 8.2(4) 4 . . . ?
Ag1 O5 C16 O6 163.8(3) 3_545 . . . ?
Ho1 O5 C16 C15 -164.7(3) 4 . . . ?
Ag1 O5 C16 C15 -9.1(4) 3_545 . . . ?
Ag1 O5 C16 Ho1 155.7(3) 3_545 . . 4 ?
O2 Ho1 O1 C5 139.5(3) 4_454 . . . ?
O3 Ho1 O1 C5 84.8(4) 4_454 . . . ?
O8 Ho1 O1 C5 14.0(4) . . . . ?
O12 Ho1 O1 C5 -58.4(4) . . . . ?
O5 Ho1 O1 C5 -141.1(4) 4_454 . . . ?
O9 Ho1 O1 C5 -87.6(4) . . . . ?
O6 Ho1 O1 C5 167.5(4) 4_454 . . . ?
C16 Ho1 O1 C5 -165.5(4) 4_454 . . . ?
O2 Ho1 O8 C14 42.6(5) 4_454 . . . ?
O3 Ho1 O8 C14 115.3(5) 4_454 . . . ?
O1 Ho1 O8 C14 -173.8(4) . . . . ?
O12 Ho1 O8 C14 -100.8(5) . . . . ?
O5 Ho1 O8 C14 -50.2(6) 4_454 . . . ?
O9 Ho1 O8 C14 -26.4(4) . . . . ?
O6 Ho1 O8 C14 97.7(5) 4_454 . . . ?
C16 Ho1 O8 C14 1.8(14) 4_454 . . . ?
N3 Ag1 N2 C1 172.3(4) 4_454 . . . ?
O5 Ag1 N2 C1 -43.3(4) 3_455 . . . ?
N3 Ag1 N2 C2 -13.8(6) 4_454 . . . ?
O5 Ag1 N2 C2 130.5(4) 3_455 . . . ?
C2 N2 C1 N1 -0.2(6) . . . . ?
Ag1 N2 C1 N1 174.8(3) . . . . ?
C9 N1 C1 N2 -0.4(6) . . . . ?
C1 N2 C2 C3 -176.2(5) . . . . ?
Ag1 N2 C2 C3 9.0(8) . . . . ?
C1 N2 C2 C9 0.7(5) . . . . ?
Ag1 N2 C2 C9 -174.0(3) . . . . ?
N2 C2 C3 C4 178.8(5) . . . . ?
C9 C2 C3 C4 2.1(7) . . . . ?
C2 C3 C4 C6 5.5(7) . . . . ?
C2 C3 C4 C5 -170.5(4) . . . . ?
Ho1 O1 C5 O2 2.0(6) . . . . ?
Ho1 O1 C5 C4 179.5(3) . . . . ?
Ho1 O2 C5 O1 163.0(4) 4 . . . ?
Ho1 O2 C5 C4 -14.5(8) 4 . . . ?
C3 C4 C5 O1 -29.2(6) . . . . ?
C6 C4 C5 O1 155.0(4) . . . . ?
C3 C4 C5 O2 148.4(4) . . . . ?
C6 C4 C5 O2 -27.4(7) . . . . ?
C3 C4 C6 C8 -7.1(7) . . . . ?
C5 C4 C6 C8 168.4(4) . . . . ?
C3 C4 C6 C7 160.9(4) . . . . ?
C5 C4 C6 C7 -23.6(7) . . . . ?
Ho1 O3 C7 O4 169.7(4) 4 . . . ?
Ho1 O3 C7 C6 -12.6(7) 4 . . . ?
C8 C6 C7 O3 -120.9(5) . . . . ?
C4 C6 C7 O3 70.4(6) . . . . ?
C8 C6 C7 O4 56.9(6) . . . . ?
C4 C6 C7 O4 -111.7(5) . . . . ?
C4 C6 C8 C9 0.9(7) . . . . ?
C7 C6 C8 C9 -168.2(4) . . . . ?
C6 C8 C9 N1 -179.6(5) . . . . ?
C6 C8 C9 C2 6.8(7) . . . . ?
C1 N1 C9 C8 -173.5(5) . . . . ?
C1 N1 C9 C2 0.8(5) . . . . ?
N2 C2 C9 C8 174.2(4) . . . . ?
C3 C2 C9 C8 -8.4(7) . . . . ?
N2 C2 C9 N1 -1.0(5) . . . . ?
C3 C2 C9 N1 176.4(4) . . . . ?
C18 N3 C10 N4 -0.5(5) . . . . ?
Ag1 N3 C10 N4 -179.2(3) 4 . . . ?
C11 N4 C10 N3 0.5(6) . . . . ?
C10 N4 C11 C12 179.8(5) . . . . ?
C10 N4 C11 C18 -0.2(5) . . . . ?
N4 C11 C12 C13 -176.5(5) . . . . ?
C18 C11 C12 C13 3.5(7) . . . . ?
C11 C12 C13 C15 0.8(7) . . . . ?
C11 C12 C13 C14 -179.1(4) . . . . ?
Ho1 O8 C14 O7 6.6(8) . . . . ?
Ho1 O8 C14 C13 -173.1(3) . . . . ?
C12 C13 C14 O8 164.7(4) . . . . ?
C15 C13 C14 O8 -15.2(6) . . . . ?
C12 C13 C14 O7 -15.0(6) . . . . ?
C15 C13 C14 O7 165.0(4) . . . . ?
C12 C13 C15 C17 -3.4(7) . . . . ?
C14 C13 C15 C17 176.5(4) . . . . ?
C12 C13 C15 C16 170.9(4) . . . . ?
C14 C13 C15 C16 -9.2(7) . . . . ?
O6 C16 C15 C17 -74.5(5) . . . . ?
O5 C16 C15 C17 98.5(5) . . . . ?
Ho1 C16 C15 C17 37.3(14) 4 . . . ?
O6 C16 C15 C13 110.9(5) . . . . ?
O5 C16 C15 C13 -76.2(5) . . . . ?
Ho1 C16 C15 C13 -137.4(10) 4 . . . ?
C13 C15 C17 C18 1.7(7) . . . . ?
C16 C15 C17 C18 -173.1(4) . . . . ?
C10 N3 C18 C11 0.4(5) . . . . ?
Ag1 N3 C18 C11 179.1(3) 4 . . . ?
C10 N3 C18 C17 -173.8(5) . . . . ?
Ag1 N3 C18 C17 4.9(7) 4 . . . ?
N4 C11 C18 N3 -0.1(5) . . . . ?
C12 C11 C18 N3 179.9(4) . . . . ?
N4 C11 C18 C17 174.7(4) . . . . ?
C12 C11 C18 C17 -5.3(7) . . . . ?
C15 C17 C18 N3 176.3(4) . . . . ?
C15 C17 C18 C11 2.5(7) . . . . ?

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         0.811
_refine_diff_density_min         -1.108
_refine_diff_density_rms         0.109

# Attachment 'web_deposit_cif_file_1_BingJiang_1288142251.cif'

data_c100613h
_database_code_depnum_ccdc_archive 'CCDC 798450'
#TrackingRef 'web_deposit_cif_file_1_BingJiang_1288142251.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H9 Ag Eu N4 O13'
_chemical_formula_weight         749.12

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'
Eu Eu -0.1578 3.6682 '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'

_symmetry_cell_setting           ?
_symmetry_space_group_name_H-M   p-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.732(3)
_cell_length_b                   12.238(5)
_cell_length_c                   12.394(4)
_cell_angle_alpha                81.707(13)
_cell_angle_beta                 71.83(2)
_cell_angle_gamma                89.722(9)
_cell_volume                     1101.6(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    50
_cell_measurement_theta_min      3.17
_cell_measurement_theta_max      25.02

_exptl_crystal_description       0
_exptl_crystal_colour            0
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.258
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             718
_exptl_absorpt_coefficient_mu    3.790
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3125
_exptl_absorpt_correction_T_max  0.3960
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       0
_diffrn_detector_area_resol_mean 0
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            6214
_diffrn_reflns_av_R_equivalents  0.0800
_diffrn_reflns_av_sigmaI/netI    0.1367
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.17
_diffrn_reflns_theta_max         25.02
_reflns_number_total             3795
_reflns_number_gt                2669
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0889P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    none
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3795
_refine_ls_number_parameters     334
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1257
_refine_ls_R_factor_gt           0.0814
_refine_ls_wR_factor_ref         0.1956
_refine_ls_wR_factor_gt          0.1647
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_restrained_S_all      1.079
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Eu1 Eu 0.79891(12) 0.81129(7) 0.96280(7) 0.0218(3) Uani 1 1 d . . .
Ag1 Ag 1.2725(2) 1.52241(11) 0.39613(11) 0.0352(4) Uani 1 1 d . . .
O1 O 0.5111(18) 0.5171(10) 0.8025(9) 0.038(3) Uani 1 1 d . . .
O2 O 0.3343(17) 0.6388(10) 0.9033(9) 0.036(3) Uani 1 1 d . . .
O3 O 0.6381(16) 0.8018(9) 0.8273(9) 0.031(3) Uani 1 1 d . . .
O4 O 0.508(2) 0.9523(9) 0.7726(10) 0.042(3) Uani 1 1 d . . .
O5 O 0.9926(15) 0.9112(10) 0.7601(9) 0.029(3) Uani 1 1 d . . .
O6 O 0.8329(14) 1.0108(8) 0.8887(8) 0.021(2) Uani 1 1 d . . .
O7 O 0.8197(15) 0.8893(9) 1.1323(9) 0.026(3) Uani 1 1 d . . .
O8 O 0.8557(15) 0.7101(8) 1.1380(9) 0.027(3) Uani 1 1 d . . .
O9 O 0.5836(18) 0.6530(10) 1.0278(10) 0.045(3) Uani 1 1 d . . .
O12 O 1.1239(16) 0.8587(10) 0.9489(9) 0.035(3) Uani 1 1 d . . .
O18 O 0.9922(16) 0.6675(9) 0.8869(9) 0.035(3) Uani 1 1 d . . .
O23 O 0.5063(16) 0.8874(10) 1.0734(10) 0.040(3) Uani 1 1 d . . .
N1 N 1.1102(18) 1.3735(10) 0.4369(11) 0.024(3) Uani 1 1 d . . .
N2 N 0.9926(17) 1.2177(11) 0.4043(11) 0.025(3) Uani 1 1 d . . .
H2 H 0.9483 1.1770 0.3748 0.029 Uiso 1 1 d R . .
N3 N 0.4976(19) 0.8514(11) 0.3732(10) 0.028(3) Uani 1 1 d . . .
H7 H 0.5120 0.9206 0.3330 0.033 Uiso 1 1 d R . .
N4 N 0.4014(18) 0.6716(10) 0.4081(10) 0.023(3) Uani 1 1 d . . .
C10 C 0.928(2) 0.7969(13) 1.2809(13) 0.022(4) Uani 1 1 d . . .
C12 C 0.943(2) 1.0051(13) 0.7887(13) 0.022(4) Uani 1 1 d . . .
C15 C 0.555(2) 0.8563(13) 0.7661(13) 0.023(4) Uani 1 1 d . . .
C18 C 0.864(2) 0.7993(14) 1.1772(14) 0.031(4) Uani 1 1 d . . .
C22 C 0.531(2) 0.8612(12) 0.5699(11) 0.020(3) Uani 1 1 d . . .
H22 H 0.5692 0.9353 0.5552 0.024 Uiso 1 1 calc R . .
C25 C 0.961(2) 1.1041(13) 0.5979(13) 0.030(4) Uani 1 1 d . . .
H25 H 0.9100 1.0407 0.5846 0.036 Uiso 1 1 calc R . .
C28 C 1.004(2) 1.1961(13) 0.5142(13) 0.023(4) Uani 1 1 d . . .
C30 C 0.489(2) 0.8107(11) 0.4858(12) 0.016(3) Uani 1 1 d . . .
C32 C 0.994(2) 1.1054(13) 0.7002(13) 0.024(4) Uani 1 1 d . . .
C33 C 0.893(2) 0.7030(12) 1.3614(13) 0.022(4) Uani 1 1 d . . .
C34 C 0.514(2) 0.7979(14) 0.6759(14) 0.032(4) Uani 1 1 d . . .
C35 C 0.431(2) 0.6999(12) 0.5065(12) 0.021(3) Uani 1 1 d . . .
C37 C 0.453(2) 0.6843(12) 0.6961(13) 0.023(4) Uani 1 1 d . . .
C38 C 1.064(2) 1.3244(14) 0.3619(14) 0.031(4) Uani 1 1 d . . .
H38 H 1.0776 1.3582 0.2874 0.037 Uiso 1 1 calc R . .
C41 C 0.413(2) 0.6367(13) 0.6101(14) 0.029(4) Uani 1 1 d . . .
H41 H 0.3749 0.5627 0.6233 0.035 Uiso 1 1 calc R . .
C45 C 0.443(2) 0.7619(14) 0.3351(13) 0.032(4) Uani 1 1 d . . .
H45 H 0.4358 0.7659 0.2611 0.039 Uiso 1 1 calc R . .
C50 C 1.076(2) 1.2929(12) 0.5358(13) 0.020(3) Uani 1 1 d . . .
C55 C 0.427(2) 0.6090(15) 0.8099(16) 0.034(4) Uani 1 1 d . . .
O21 O 0.104(2) 0.5371(10) 0.1294(12) 0.059(4) Uani 1 1 d . . .
H21A H 0.0447 0.4867 0.1133 0.070 Uiso 1 1 d R . .
H21B H 0.0448 0.5952 0.1228 0.070 Uiso 1 1 d R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Eu1 0.0231(5) 0.0233(5) 0.0201(4) -0.0019(3) -0.0086(3) -0.0049(3)
Ag1 0.0419(9) 0.0279(8) 0.0371(8) -0.0026(6) -0.0151(7) -0.0083(7)
O1 0.053(9) 0.029(7) 0.022(6) 0.011(5) -0.003(6) -0.001(6)
O2 0.038(8) 0.041(8) 0.023(6) -0.002(5) -0.002(6) -0.016(6)
O3 0.043(8) 0.024(6) 0.029(6) 0.003(5) -0.020(6) -0.014(5)
O4 0.080(10) 0.027(7) 0.034(7) -0.007(5) -0.036(7) 0.011(7)
O5 0.021(7) 0.040(7) 0.027(6) -0.006(5) -0.008(5) -0.005(5)
O6 0.024(6) 0.014(6) 0.021(6) -0.006(4) 0.000(5) -0.005(5)
O7 0.029(7) 0.023(6) 0.022(6) 0.000(5) -0.004(5) -0.004(5)
O8 0.035(7) 0.017(6) 0.030(6) 0.002(5) -0.012(5) -0.008(5)
O9 0.054(9) 0.040(8) 0.047(8) 0.018(6) -0.037(7) -0.032(6)
O12 0.030(7) 0.045(8) 0.029(6) -0.004(6) -0.009(6) -0.006(6)
O18 0.032(7) 0.035(7) 0.034(7) -0.010(5) -0.003(6) 0.010(6)
O23 0.026(7) 0.056(9) 0.033(7) 0.002(6) -0.006(6) 0.000(6)
N1 0.032(9) 0.020(7) 0.027(7) -0.007(6) -0.018(7) 0.002(6)
N2 0.017(8) 0.034(8) 0.025(7) -0.009(6) -0.008(6) -0.001(6)
N3 0.036(9) 0.028(8) 0.018(7) -0.006(6) -0.007(6) 0.003(7)
N4 0.026(8) 0.021(7) 0.021(7) 0.003(6) -0.007(6) 0.001(6)
C10 0.013(8) 0.030(9) 0.030(9) -0.008(7) -0.013(7) -0.001(7)
C12 0.025(10) 0.019(9) 0.022(8) 0.008(7) -0.015(7) -0.013(7)
C15 0.026(10) 0.020(9) 0.024(8) -0.003(7) -0.009(7) 0.007(7)
C18 0.034(11) 0.028(10) 0.025(9) 0.001(8) -0.002(8) -0.013(8)
C22 0.028(10) 0.008(7) 0.015(7) 0.002(6) 0.005(7) 0.007(7)
C25 0.029(10) 0.024(9) 0.032(9) -0.007(8) 0.001(8) -0.017(8)
C28 0.014(9) 0.028(9) 0.028(9) -0.012(7) -0.006(7) 0.003(7)
C30 0.023(9) 0.010(8) 0.018(7) -0.006(6) -0.008(7) 0.010(7)
C32 0.024(10) 0.023(9) 0.024(8) -0.005(7) -0.007(7) -0.003(7)
C33 0.029(10) 0.009(8) 0.026(8) 0.003(6) -0.009(7) -0.008(7)
C34 0.038(11) 0.034(10) 0.031(9) -0.005(8) -0.018(9) -0.007(8)
C35 0.019(9) 0.021(9) 0.018(8) 0.003(6) -0.001(7) -0.002(7)
C37 0.027(10) 0.017(8) 0.027(9) 0.001(7) -0.013(8) -0.002(7)
C38 0.030(11) 0.041(11) 0.025(9) -0.005(8) -0.014(8) 0.001(9)
C41 0.029(10) 0.021(9) 0.036(9) 0.002(7) -0.012(8) -0.011(7)
C45 0.051(12) 0.042(11) 0.011(8) -0.008(8) -0.018(8) 0.008(9)
C50 0.015(9) 0.020(8) 0.027(8) -0.005(7) -0.009(7) 0.000(7)
C55 0.023(10) 0.032(11) 0.050(12) -0.002(9) -0.019(9) -0.010(8)
O21 0.062(11) 0.025(8) 0.084(11) -0.003(7) -0.018(9) 0.003(7)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Eu1 O3 2.395(10) . ?
Eu1 O18 2.407(11) . ?
Eu1 O9 2.433(11) . ?
Eu1 O6 2.467(10) . ?
Eu1 O7 2.479(10) . ?
Eu1 O8 2.501(10) . ?
Eu1 O23 2.506(12) . ?
Eu1 O12 2.529(12) . ?
Eu1 O5 2.614(11) . ?
Ag1 N1 2.124(13) . ?
Ag1 N4 2.130(13) 1_665 ?
O1 C55 1.29(2) . ?
O2 C55 1.26(2) . ?
O3 C15 1.261(18) . ?
O4 C15 1.235(17) . ?
O5 C12 1.273(18) . ?
O6 C12 1.277(18) . ?
O7 C18 1.256(19) . ?
O8 C18 1.267(18) . ?
N1 C38 1.314(18) . ?
N1 C50 1.413(19) . ?
N2 C28 1.380(19) . ?
N2 C38 1.38(2) . ?
N2 H2 0.7945 . ?
N3 C45 1.37(2) . ?
N3 C30 1.392(18) . ?
N3 H7 0.9070 . ?
N4 C45 1.30(2) . ?
N4 C35 1.400(18) . ?
N4 Ag1 2.130(13) 1_445 ?
C10 C33 1.38(2) . ?
C10 C32 1.43(2) 2_777 ?
C10 C18 1.51(2) . ?
C12 C32 1.49(2) . ?
C15 C34 1.52(2) . ?
C22 C34 1.39(2) . ?
C22 C30 1.405(19) . ?
C22 H22 0.9300 . ?
C25 C32 1.37(2) . ?
C25 C28 1.38(2) . ?
C25 H25 0.9300 . ?
C28 C50 1.40(2) . ?
C30 C35 1.39(2) . ?
C32 C10 1.43(2) 2_777 ?
C33 C50 1.38(2) 2_777 ?
C34 C37 1.43(2) . ?
C35 C41 1.37(2) . ?
C37 C41 1.40(2) . ?
C37 C55 1.53(2) . ?
C38 H38 0.9300 . ?
C41 H41 0.9300 . ?
C45 H45 0.9300 . ?
C50 C33 1.38(2) 2_777 ?
O21 H21A 0.8497 . ?
O21 H21B 0.8497 . ?

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
O3 Eu1 O18 90.4(4) . . ?
O3 Eu1 O9 70.2(4) . . ?
O18 Eu1 O9 79.3(4) . . ?
O3 Eu1 O6 84.6(3) . . ?
O18 Eu1 O6 127.7(4) . . ?
O9 Eu1 O6 143.9(4) . . ?
O3 Eu1 O7 147.6(4) . . ?
O18 Eu1 O7 121.8(4) . . ?
O9 Eu1 O7 109.0(4) . . ?
O6 Eu1 O7 78.8(3) . . ?
O3 Eu1 O8 144.0(3) . . ?
O18 Eu1 O8 77.7(4) . . ?
O9 Eu1 O8 74.2(3) . . ?
O6 Eu1 O8 129.4(3) . . ?
O7 Eu1 O8 52.5(3) . . ?
O3 Eu1 O23 82.3(4) . . ?
O18 Eu1 O23 154.8(4) . . ?
O9 Eu1 O23 75.5(4) . . ?
O6 Eu1 O23 75.8(4) . . ?
O7 Eu1 O23 66.7(4) . . ?
O8 Eu1 O23 94.1(4) . . ?
O3 Eu1 O12 135.1(4) . . ?
O18 Eu1 O12 70.6(4) . . ?
O9 Eu1 O12 138.9(4) . . ?
O6 Eu1 O12 77.1(4) . . ?
O7 Eu1 O12 67.5(3) . . ?
O8 Eu1 O12 72.7(4) . . ?
O23 Eu1 O12 130.2(4) . . ?
O3 Eu1 O5 70.0(4) . . ?
O18 Eu1 O5 78.0(4) . . ?
O9 Eu1 O5 133.6(4) . . ?
O6 Eu1 O5 51.4(3) . . ?
O7 Eu1 O5 117.4(3) . . ?
O8 Eu1 O5 137.4(4) . . ?
O23 Eu1 O5 121.1(4) . . ?
O12 Eu1 O5 66.5(3) . . ?
N1 Ag1 N4 163.1(5) . 1_665 ?
C15 O3 Eu1 145.1(10) . . ?
C12 O5 Eu1 91.0(9) . . ?
C12 O6 Eu1 97.8(9) . . ?
C18 O7 Eu1 93.1(9) . . ?
C18 O8 Eu1 91.8(9) . . ?
C38 N1 C50 105.0(13) . . ?
C38 N1 Ag1 124.8(11) . . ?
C50 N1 Ag1 127.9(9) . . ?
C28 N2 C38 105.7(12) . . ?
C28 N2 H2 125.4 . . ?
C38 N2 H2 128.8 . . ?
C45 N3 C30 103.5(13) . . ?
C45 N3 H7 122.6 . . ?
C30 N3 H7 132.9 . . ?
C45 N4 C35 104.1(12) . . ?
C45 N4 Ag1 128.8(11) . 1_445 ?
C35 N4 Ag1 126.3(10) . 1_445 ?
C33 C10 C32 120.9(14) . 2_777 ?
C33 C10 C18 119.1(14) . . ?
C32 C10 C18 119.8(14) 2_777 . ?
O5 C12 O6 119.8(13) . . ?
O5 C12 C32 119.3(14) . . ?
O6 C12 C32 120.4(14) . . ?
O4 C15 O3 125.4(14) . . ?
O4 C15 C34 118.3(14) . . ?
O3 C15 C34 116.3(14) . . ?
O7 C18 O8 121.6(15) . . ?
O7 C18 C10 119.4(14) . . ?
O8 C18 C10 119.0(15) . . ?
C34 C22 C30 118.6(14) . . ?
C34 C22 H22 120.7 . . ?
C30 C22 H22 120.7 . . ?
C32 C25 C28 120.5(14) . . ?
C32 C25 H25 119.7 . . ?
C28 C25 H25 119.7 . . ?
N2 C28 C25 133.4(14) . . ?
N2 C28 C50 107.0(14) . . ?
C25 C28 C50 119.7(14) . . ?
C35 C30 N3 107.3(12) . . ?
C35 C30 C22 121.3(13) . . ?
N3 C30 C22 131.3(13) . . ?
C25 C32 C10 119.0(15) . 2_777 ?
C25 C32 C12 118.8(14) . . ?
C10 C32 C12 122.2(13) 2_777 . ?
C10 C33 C50 118.8(13) . 2_777 ?
C22 C34 C37 119.4(14) . . ?
C22 C34 C15 117.1(15) . . ?
C37 C34 C15 123.5(14) . . ?
C41 C35 C30 120.8(14) . . ?
C41 C35 N4 130.1(14) . . ?
C30 C35 N4 109.1(12) . . ?
C41 C37 C34 120.4(14) . . ?
C41 C37 C55 116.4(14) . . ?
C34 C37 C55 123.2(13) . . ?
N1 C38 N2 113.7(14) . . ?
N1 C38 H38 123.2 . . ?
N2 C38 H38 123.2 . . ?
C35 C41 C37 119.5(15) . . ?
C35 C41 H41 120.3 . . ?
C37 C41 H41 120.3 . . ?
N4 C45 N3 116.1(13) . . ?
N4 C45 H45 121.9 . . ?
N3 C45 H45 121.9 . . ?
C33 C50 C28 121.0(14) 2_777 . ?
C33 C50 N1 130.4(13) 2_777 . ?
C28 C50 N1 108.6(13) . . ?
O2 C55 O1 124.1(17) . . ?
O2 C55 C37 120.4(16) . . ?
O1 C55 C37 115.4(15) . . ?
H21A O21 H21B 105.2 . . ?

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
O18 Eu1 O3 C15 -147.1(19) . . . . ?
O9 Eu1 O3 C15 134(2) . . . . ?
O6 Eu1 O3 C15 -19.2(19) . . . . ?
O7 Eu1 O3 C15 40(2) . . . . ?
O8 Eu1 O3 C15 143.6(17) . . . . ?
O23 Eu1 O3 C15 57.2(19) . . . . ?
O12 Eu1 O3 C15 -85(2) . . . . ?
O5 Eu1 O3 C15 -70.0(19) . . . . ?
O3 Eu1 O5 C12 99.9(9) . . . . ?
O18 Eu1 O5 C12 -165.3(9) . . . . ?
O9 Eu1 O5 C12 132.4(9) . . . . ?
O6 Eu1 O5 C12 0.5(8) . . . . ?
O7 Eu1 O5 C12 -45.5(9) . . . . ?
O8 Eu1 O5 C12 -108.8(9) . . . . ?
O23 Eu1 O5 C12 32.5(9) . . . . ?
O12 Eu1 O5 C12 -91.5(8) . . . . ?
O3 Eu1 O6 C12 -69.2(9) . . . . ?
O18 Eu1 O6 C12 17.1(10) . . . . ?
O9 Eu1 O6 C12 -114.3(10) . . . . ?
O7 Eu1 O6 C12 138.8(9) . . . . ?
O8 Eu1 O6 C12 123.8(9) . . . . ?
O23 Eu1 O6 C12 -152.6(9) . . . . ?
O12 Eu1 O6 C12 69.5(9) . . . . ?
O5 Eu1 O6 C12 -0.6(8) . . . . ?
O3 Eu1 O7 C18 139.5(10) . . . . ?
O18 Eu1 O7 C18 -32.3(11) . . . . ?
O9 Eu1 O7 C18 56.7(11) . . . . ?
O6 Eu1 O7 C18 -159.9(10) . . . . ?
O8 Eu1 O7 C18 5.5(9) . . . . ?
O23 Eu1 O7 C18 120.8(11) . . . . ?
O12 Eu1 O7 C18 -79.4(10) . . . . ?
O5 Eu1 O7 C18 -124.9(10) . . . . ?
O3 Eu1 O8 C18 -144.3(10) . . . . ?
O18 Eu1 O8 C18 142.4(10) . . . . ?
O9 Eu1 O8 C18 -135.4(11) . . . . ?
O6 Eu1 O8 C18 13.3(11) . . . . ?
O7 Eu1 O8 C18 -5.4(9) . . . . ?
O23 Eu1 O8 C18 -61.7(10) . . . . ?
O12 Eu1 O8 C18 69.2(10) . . . . ?
O5 Eu1 O8 C18 85.8(11) . . . . ?
N4 Ag1 N1 C38 162.4(15) 1_665 . . . ?
N4 Ag1 N1 C50 -37(2) 1_665 . . . ?
Eu1 O5 C12 O6 -1.0(14) . . . . ?
Eu1 O5 C12 C32 -173.0(12) . . . . ?
Eu1 O6 C12 O5 1.0(15) . . . . ?
Eu1 O6 C12 C32 173.0(12) . . . . ?
Eu1 O3 C15 O4 -11(3) . . . . ?
Eu1 O3 C15 C34 167.9(13) . . . . ?
Eu1 O7 C18 O8 -10.1(17) . . . . ?
Eu1 O7 C18 C10 170.3(13) . . . . ?
Eu1 O8 C18 O7 10.0(17) . . . . ?
Eu1 O8 C18 C10 -170.4(14) . . . . ?
C33 C10 C18 O7 148.7(16) . . . . ?
C32 C10 C18 O7 -25(2) 2_777 . . . ?
C33 C10 C18 O8 -31(2) . . . . ?
C32 C10 C18 O8 155.2(16) 2_777 . . . ?
C38 N2 C28 C25 -177.5(18) . . . . ?
C38 N2 C28 C50 2.2(17) . . . . ?
C32 C25 C28 N2 177.7(16) . . . . ?
C32 C25 C28 C50 -2(3) . . . . ?
C45 N3 C30 C35 0.7(17) . . . . ?
C45 N3 C30 C22 178.6(17) . . . . ?
C34 C22 C30 C35 0(2) . . . . ?
C34 C22 C30 N3 -177.9(16) . . . . ?
C28 C25 C32 C10 0(2) . . . 2_777 ?
C28 C25 C32 C12 179.0(15) . . . . ?
O5 C12 C32 C25 49(2) . . . . ?
O6 C12 C32 C25 -122.6(17) . . . . ?
O5 C12 C32 C10 -131.5(16) . . . 2_777 ?
O6 C12 C32 C10 56(2) . . . 2_777 ?
C32 C10 C33 C50 4(2) 2_777 . . 2_777 ?
C18 C10 C33 C50 -169.5(15) . . . 2_777 ?
C30 C22 C34 C37 0(2) . . . . ?
C30 C22 C34 C15 -178.2(14) . . . . ?
O4 C15 C34 C22 38(2) . . . . ?
O3 C15 C34 C22 -141.2(16) . . . . ?
O4 C15 C34 C37 -140.2(18) . . . . ?
O3 C15 C34 C37 41(2) . . . . ?
N3 C30 C35 C41 178.6(15) . . . . ?
C22 C30 C35 C41 0(2) . . . . ?
N3 C30 C35 N4 -1.1(17) . . . . ?
C22 C30 C35 N4 -179.3(13) . . . . ?
C45 N4 C35 C41 -178.6(18) . . . . ?
Ag1 N4 C35 C41 11(2) 1_445 . . . ?
C45 N4 C35 C30 1.0(18) . . . . ?
Ag1 N4 C35 C30 -169.4(10) 1_445 . . . ?
C22 C34 C37 C41 0(3) . . . . ?
C15 C34 C37 C41 178.3(16) . . . . ?
C22 C34 C37 C55 -178.9(16) . . . . ?
C15 C34 C37 C55 -1(3) . . . . ?
C50 N1 C38 N2 2.7(19) . . . . ?
Ag1 N1 C38 N2 166.7(10) . . . . ?
C28 N2 C38 N1 -3.2(18) . . . . ?
C30 C35 C41 C37 0(3) . . . . ?
N4 C35 C41 C37 179.4(15) . . . . ?
C34 C37 C41 C35 0(3) . . . . ?
C55 C37 C41 C35 179.1(15) . . . . ?
C35 N4 C45 N3 -1(2) . . . . ?
Ag1 N4 C45 N3 169.5(11) 1_445 . . . ?
C30 N3 C45 N4 0(2) . . . . ?
N2 C28 C50 C33 -178.7(14) . . . 2_777 ?
C25 C28 C50 C33 1(2) . . . 2_777 ?
N2 C28 C50 N1 -0.7(17) . . . . ?
C25 C28 C50 N1 179.1(14) . . . . ?
C38 N1 C50 C33 176.6(17) . . . 2_777 ?
Ag1 N1 C50 C33 13(2) . . . 2_777 ?
C38 N1 C50 C28 -1.2(18) . . . . ?
Ag1 N1 C50 C28 -164.4(10) . . . . ?
C41 C37 C55 O2 -128.6(17) . . . . ?
C34 C37 C55 O2 51(2) . . . . ?
C41 C37 C55 O1 54(2) . . . . ?
C34 C37 C55 O1 -127.1(18) . . . . ?

_diffrn_measured_fraction_theta_max 0.974
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.974
_refine_diff_density_max         1.351
_refine_diff_density_min         -3.064
_refine_diff_density_rms         0.310