#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/44/2224483.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_2224483
loop_
_publ_author_name
'Zhu, Li-Cai'
_publ_section_title
;
 Poly[[μ₂-acetato-aquadi-μ₃-isonicotinato-erbium(III)silver(I)]
 perchlorate]
;
_journal_coeditor_code           WM2280
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1617
_journal_page_last               m1618
_journal_paper_doi               10.1107/S1600536809048429
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac
'[Ag Er (C6 H4 N O2)2 (C2 H3 O2) (H2 O)] Cl O4'
_chemical_formula_moiety         'C14 H13 Ag Er N2 O7 +, Cl O4 -'
_chemical_formula_sum            'C14 H13 Ag Cl Er N2 O11'
_chemical_formula_weight         695.84
_chemical_name_systematic
;
Poly[[μ₂-acetato-aquadi-μ₃-isonicotinato-erbium(III)silver(I)]
perchlorate]
;
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.7830(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.1952(11)
_cell_length_b                   14.8673(11)
_cell_length_c                   7.8938(6)
_cell_measurement_reflns_used    4797
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.85
_cell_measurement_theta_min      2.52
_cell_volume                     1899.7(2)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII area-detector diffractometer'
_diffrn_measurement_method       'φ and ω scan'
_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  0.0295
_diffrn_reflns_av_sigmaI/netI    0.0330
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            9611
_diffrn_reflns_theta_full        25.20
_diffrn_reflns_theta_max         25.20
_diffrn_reflns_theta_min         1.86
_exptl_absorpt_coefficient_mu    5.623
_exptl_absorpt_correction_T_max  0.344
_exptl_absorpt_correction_T_min  0.285
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.433
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1324
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.762
_refine_diff_density_min         -1.037
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     320
_refine_ls_number_reflns         3423
_refine_ls_number_restraints     158
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.0299
_refine_ls_R_factor_gt           0.0246
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0218P)²+3.7155P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0551
_refine_ls_wR_factor_ref         0.0574
_reflns_number_gt                3009
_reflns_number_total             3423
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            wm2280.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2224483
_cod_database_fobs_code          2224483
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_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_disorder_assembly
_atom_site_disorder_group
Er Er1 0.955305(12) 0.883792(13) 0.05025(3) 0.01689(8) Uani d . 1 . .
Ag Ag1 0.47352(3) 0.74056(4) 0.10055(8) 0.06366(18) Uani d . 1 . .
N N1 0.3573(3) 0.6969(3) 0.1973(7) 0.0464(13) Uani d . 1 . .
N N2 0.5953(3) 0.7481(3) -0.0007(6) 0.0378(11) Uani d . 1 . .
C C1 0.1321(3) 0.5802(3) 0.3629(7) 0.0287(12) Uani d . 1 . .
C C2 0.2108(3) 0.6229(3) 0.3048(7) 0.0273(11) Uani d . 1 . .
C C3 0.2810(3) 0.5718(4) 0.2968(8) 0.0427(15) Uani d . 1 . .
H H8 0.2800 0.5114 0.3271 0.051 Uiso calc R 1 . .
C C4 0.3527(4) 0.6105(4) 0.2436(9) 0.0523(18) Uani d . 1 . .
H H7 0.4000 0.5753 0.2397 0.063 Uiso calc R 1 . .
C C5 0.2890(3) 0.7466(4) 0.2066(9) 0.0455(16) Uani d . 1 . .
H H11 0.2914 0.8070 0.1767 0.055 Uiso calc R 1 . .
C C6 0.2147(3) 0.7121(4) 0.2589(8) 0.0378(14) Uani d . 1 . .
H H10 0.1681 0.7485 0.2630 0.045 Uiso calc R 1 . .
C C7 0.6342(3) 0.6716(4) -0.0395(8) 0.0438(15) Uani d . 1 . .
H H4 0.6076 0.6171 -0.0221 0.053 Uiso calc R 1 . .
C C8 0.7122(3) 0.6709(4) -0.1041(7) 0.0340(13) Uani d . 1 . .
H H3 0.7372 0.6167 -0.1315 0.041 Uiso calc R 1 . .
C C9 0.7531(3) 0.7512(3) -0.1281(6) 0.0199(10) Uani d . 1 . .
C C10 0.8387(3) 0.7511(3) -0.1972(6) 0.0203(10) Uani d . 1 . .
C C11 0.7136(3) 0.8299(3) -0.0871(7) 0.0309(12) Uani d . 1 . .
H H6 0.7394 0.8851 -0.1018 0.037 Uiso calc R 1 . .
C C12 0.6349(3) 0.8258(4) -0.0237(7) 0.0359(13) Uani d . 1 . .
H H5 0.6085 0.8792 0.0040 0.043 Uiso calc R 1 . .
O O1 0.0753(2) 0.6328(2) 0.4074(5) 0.0354(9) Uani d . 1 . .
O O2 0.1298(2) 0.4963(2) 0.3618(5) 0.0369(9) Uani d . 1 . .
O O3 0.85978(19) 0.6842(2) -0.2806(4) 0.0276(8) Uani d . 1 . .
O O4 0.88366(18) 0.8187(2) -0.1684(4) 0.0237(7) Uani d . 1 . .
O O1W 0.9992(2) 0.7323(2) 0.0767(5) 0.0327(9) Uani d D 1 . .
H H1W 1.017(3) 0.702(3) 0.001(5) 0.049 Uiso d D 1 . .
H H2W 0.978(3) 0.697(3) 0.142(5) 0.049 Uiso d D 1 . .
O O6 1.0346(2) 0.8847(2) 0.3130(4) 0.0324(8) Uani d . 1 A .
O O5 1.0476(2) 1.0034(2) 0.1567(4) 0.0289(8) Uani d . 1 . .
C C13 1.0687(3) 0.9591(3) 0.2875(6) 0.0266(11) Uani d D 1 . .
C C14 1.1431(13) 0.9863(19) 0.395(3) 0.040(4) Uani d PDU 0.51(5) A 1
H H14A 1.1728 1.0327 0.3385 0.059 Uiso calc PR 0.51(5) A 1
H H14B 1.1785 0.9351 0.4129 0.059 Uiso calc PR 0.51(5) A 1
H H14C 1.1255 1.0082 0.5024 0.059 Uiso calc PR 0.51(5) A 1
C C14' 1.1264(15) 1.0028(19) 0.417(3) 0.040(4) Uani d PDU 0.49(5) A 2
H H14D 1.1142 1.0659 0.4230 0.059 Uiso calc PR 0.49(5) A 2
H H14E 1.1824 0.9947 0.3836 0.059 Uiso calc PR 0.49(5) A 2
H H14F 1.1191 0.9756 0.5255 0.059 Uiso calc PR 0.49(5) A 2
Cl Cl1 0.58069(12) 0.04095(12) 0.7436(3) 0.0642(5) Uani d PD 0.526(13) B 1
O O7 0.5433(10) -0.0457(8) 0.742(2) 0.076(5) Uani d PDU 0.526(13) B 1
O O8 0.5249(9) 0.1082(9) 0.709(2) 0.133(6) Uani d PDU 0.526(13) B 1
O O9 0.6203(10) 0.0528(9) 0.9021(14) 0.109(6) Uani d PDU 0.526(13) B 1
O O10 0.6454(9) 0.0386(10) 0.6206(19) 0.134(7) Uani d PDU 0.526(13) B 1
Cl Cl1' 0.58069(12) 0.04095(12) 0.7436(3) 0.0642(5) Uani d PD 0.474(13) B 1
O O7' 0.5399(11) -0.0369(9) 0.691(2) 0.083(7) Uani d PDU 0.474(13) B 1
O O8' 0.5676(11) 0.1101(10) 0.6227(19) 0.124(7) Uani d PDU 0.474(13) B 1
O O9' 0.5422(11) 0.0751(11) 0.8943(18) 0.134(7) Uani d PDU 0.474(13) B 1
O O10' 0.6643(6) 0.0289(8) 0.778(2) 0.092(5) Uani d PDU 0.474(13) B 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'
Cl Cl 0.1484 0.1585 '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'
Er Er -0.2586 4.9576 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O4 Er1 O2 . 2_655 104.11(13) ?
O4 Er1 O1 . 4_675 90.06(13) ?
O2 Er1 O1 2_655 4_675 139.15(12) ?
O4 Er1 O3 . 4_576 85.24(12) ?
O2 Er1 O3 2_655 4_576 73.96(11) ?
O1 Er1 O3 4_675 4_576 146.30(12) ?
O4 Er1 O5 . 3_775 77.04(11) ?
O2 Er1 O5 2_655 3_775 71.89(13) ?
O1 Er1 O5 4_675 3_775 74.47(12) ?
O3 Er1 O5 4_576 3_775 135.93(12) ?
O4 Er1 O1W . . 78.85(13) ?
O2 Er1 O1W 2_655 . 148.19(12) ?
O1 Er1 O1W 4_675 . 71.58(12) ?
O3 Er1 O1W 4_576 . 74.77(12) ?
O5 Er1 O1W 3_775 . 137.91(12) ?
O4 Er1 O6 . . 154.95(12) ?
O2 Er1 O6 2_655 . 92.59(14) ?
O1 Er1 O6 4_675 . 89.25(14) ?
O3 Er1 O6 4_576 . 81.55(12) ?
O5 Er1 O6 3_775 . 126.62(11) ?
O1W Er1 O6 . . 77.18(13) ?
O4 Er1 O5 . . 149.53(11) ?
O2 Er1 O5 2_655 . 74.51(12) ?
O1 Er1 O5 4_675 . 74.32(12) ?
O3 Er1 O5 4_576 . 122.10(12) ?
O5 Er1 O5 3_775 . 73.65(13) ?
O1W Er1 O5 . . 118.73(13) ?
O6 Er1 O5 . . 52.98(11) ?
O4 Er1 C13 . . 169.94(13) ?
O2 Er1 C13 2_655 . 83.95(14) ?
O1 Er1 C13 4_675 . 79.88(14) ?
O3 Er1 C13 4_576 . 102.99(13) ?
O5 Er1 C13 3_775 . 100.25(13) ?
O1W Er1 C13 . . 97.55(14) ?
O6 Er1 C13 . . 26.38(13) ?
O5 Er1 C13 . . 26.64(12) ?
O4 Er1 Er1 . 3_775 114.47(8) ?
O2 Er1 Er1 2_655 3_775 68.88(8) ?
O1 Er1 Er1 4_675 3_775 70.37(8) ?
O3 Er1 Er1 4_576 3_775 141.06(8) ?
O5 Er1 Er1 3_775 3_775 37.84(8) ?
O1W Er1 Er1 . 3_775 139.44(9) ?
O6 Er1 Er1 . 3_775 88.78(8) ?
O5 Er1 Er1 . 3_775 35.81(8) ?
C13 Er1 Er1 . 3_775 62.42(10) ?
N1 Ag1 N2 . . 165.44(19) ?
C5 N1 C4 . . 117.6(5) ?
C5 N1 Ag1 . . 126.0(4) ?
C4 N1 Ag1 . . 116.3(4) ?
C12 N2 C7 . . 118.2(4) ?
C12 N2 Ag1 . . 123.0(4) ?
C7 N2 Ag1 . . 118.8(4) ?
O2 C1 O1 . . 126.7(4) ?
O2 C1 C2 . . 116.4(4) ?
O1 C1 C2 . . 116.9(4) ?
C3 C2 C6 . . 118.5(5) ?
C3 C2 C1 . . 119.4(5) ?
C6 C2 C1 . . 122.2(5) ?
C2 C3 C4 . . 119.5(5) ?
C2 C3 H8 . . 120.2 ?
C4 C3 H8 . . 120.2 ?
N1 C4 C3 . . 122.7(5) ?
N1 C4 H7 . . 118.6 ?
C3 C4 H7 . . 118.6 ?
N1 C5 C6 . . 122.7(5) ?
N1 C5 H11 . . 118.6 ?
C6 C5 H11 . . 118.6 ?
C2 C6 C5 . . 119.0(5) ?
C2 C6 H10 . . 120.5 ?
C5 C6 H10 . . 120.5 ?
N2 C7 C8 . . 122.2(5) ?
N2 C7 H4 . . 118.9 ?
C8 C7 H4 . . 118.9 ?
C7 C8 C9 . . 119.7(5) ?
C7 C8 H3 . . 120.2 ?
C9 C8 H3 . . 120.2 ?
C11 C9 C8 . . 118.2(4) ?
C11 C9 C10 . . 121.7(4) ?
C8 C9 C10 . . 120.0(4) ?
O3 C10 O4 . . 124.5(4) ?
O3 C10 C9 . . 117.6(4) ?
O4 C10 C9 . . 117.9(4) ?
C9 C11 C12 . . 119.1(5) ?
C9 C11 H6 . . 120.4 ?
C12 C11 H6 . . 120.4 ?
N2 C12 C11 . . 122.5(5) ?
N2 C12 H5 . . 118.7 ?
C11 C12 H5 . . 118.7 ?
C1 O1 Er1 . 4_476 134.9(3) ?
C1 O2 Er1 . 2_645 138.3(3) ?
C10 O3 Er1 . 4_575 148.8(3) ?
C10 O4 Er1 . . 139.3(3) ?
Er1 O1W H1W . . 125(4) ?
Er1 O1W H2W . . 122(4) ?
H1W O1W H2W . . 106(4) ?
C13 O6 Er1 . . 95.3(3) ?
C13 O5 Er1 . 3_775 160.6(3) ?
C13 O5 Er1 . . 92.8(3) ?
Er1 O5 Er1 3_775 . 106.35(13) ?
O6 C13 O5 . . 118.7(4) ?
O6 C13 C14 . . 119.6(11) ?
O5 C13 C14 . . 120.8(11) ?
O6 C13 C14' . . 122.6(12) ?
O5 C13 C14' . . 118.3(12) ?
O6 C13 Er1 . . 58.3(2) ?
O5 C13 Er1 . . 60.6(2) ?
C14 C13 Er1 . . 167.2(12) ?
C14' C13 Er1 . . 177.2(13) ?
C13 C14 H14A . . 109.5 ?
C13 C14 H14B . . 109.5 ?
C13 C14 H14C . . 109.5 ?
C13 C14' H14D . . 109.5 ?
C13 C14' H14E . . 109.5 ?
H14D C14' H14E . . 109.5 ?
C13 C14' H14F . . 109.5 ?
H14D C14' H14F . . 109.5 ?
H14E C14' H14F . . 109.5 ?
O8 Cl1 O10' . . 140.3(9) ?
O8 Cl1 O7' . . 104.2(12) ?
O10' Cl1 O7' . . 113.8(8) ?
O8 Cl1 O9 . . 111.5(8) ?
O10' Cl1 O9 . . 54.6(7) ?
O7' Cl1 O9 . . 124.9(10) ?
O10' Cl1 O8' . . 110.7(8) ?
O7' Cl1 O8' . . 110.1(9) ?
O9 Cl1 O8' . . 124.5(9) ?
O8 Cl1 O7 . . 112.4(8) ?
O10' Cl1 O7 . . 107.3(10) ?
O9 Cl1 O7 . . 107.7(8) ?
O8' Cl1 O7 . . 126.7(10) ?
O8 Cl1 O10 . . 111.8(8) ?
O10' Cl1 O10 . . 53.6(7) ?
O7' Cl1 O10 . . 97.3(10) ?
O9 Cl1 O10 . . 106.3(7) ?
O8' Cl1 O10 . . 70.3(8) ?
O7 Cl1 O10 . . 106.7(8) ?
O8 Cl1 O9' . . 66.9(8) ?
O10' Cl1 O9' . . 109.0(8) ?
O7' Cl1 O9' . . 108.9(8) ?
O9 Cl1 O9' . . 54.5(7) ?
O8' Cl1 O9' . . 103.8(8) ?
O7 Cl1 O9' . . 97.5(10) ?
O10 Cl1 O9' . . 153.4(9) ?
O8' O8 Cl1 . . 71.7(8) ?
O8' O8 O9' . . 123.3(13) ?
Cl1 O8 O9' . . 59.1(6) ?
O10' O9 O9' . . 126.6(10) ?
O10' O9 Cl1 . . 62.1(6) ?
O9' O9 Cl1 . . 64.8(7) ?
O10' O10 Cl1 . . 60.5(6) ?
O10' O10 O8' . . 102.8(9) ?
Cl1 O10 O8' . . 53.8(5) ?
O8 O8' Cl1 . . 66.8(8) ?
O8 O8' O10 . . 122.7(11) ?
Cl1 O8' O10 . . 55.9(6) ?
O9 O9' Cl1 . . 60.7(5) ?
O9 O9' O8 . . 105.7(9) ?
Cl1 O9' O8 . . 54.0(5) ?
O9 O10' O10 . . 126.2(10) ?
O9 O10' Cl1 . . 63.3(6) ?
O10 O10' Cl1 . . 65.9(6) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Er1 O4 . 2.266(3) ?
Er1 O2 2_655 2.289(3) ?
Er1 O1 4_675 2.290(3) ?
Er1 O3 4_576 2.308(3) ?
Er1 O5 3_775 2.341(3) ?
Er1 O1W . 2.369(3) ?
Er1 O6 . 2.405(3) ?
Er1 O5 . 2.454(3) ?
Ag1 N1 . 2.153(4) ?
Ag1 N2 . 2.154(4) ?
N1 C5 . 1.336(7) ?
N1 C4 . 1.337(8) ?
N2 C12 . 1.335(7) ?
N2 C7 . 1.341(7) ?
C1 O2 . 1.248(6) ?
C1 O1 . 1.266(6) ?
C1 C2 . 1.507(6) ?
C2 C3 . 1.370(7) ?
C2 C6 . 1.376(7) ?
C3 C4 . 1.374(8) ?
C3 H8 . 0.9300 ?
C4 H7 . 0.9300 ?
C5 C6 . 1.382(7) ?
C5 H11 . 0.9300 ?
C6 H10 . 0.9300 ?
C7 C8 . 1.376(7) ?
C7 H4 . 0.9300 ?
C8 C9 . 1.381(7) ?
C8 H3 . 0.9300 ?
C9 C11 . 1.378(7) ?
C9 C10 . 1.505(6) ?
C10 O3 . 1.246(5) ?
C10 O4 . 1.258(5) ?
C11 C12 . 1.386(7) ?
C11 H6 . 0.9300 ?
C12 H5 . 0.9300 ?
O1 Er1 4_476 2.290(3) ?
O2 Er1 2_645 2.289(3) ?
O3 Er1 4_575 2.308(3) ?
O1W H1W . 0.81(4) ?
O1W H2W . 0.82(4) ?
O6 C13 . 1.256(6) ?
O5 C13 . 1.263(6) ?
O5 Er1 3_775 2.341(3) ?
C13 C14 . 1.507(9) ?
C13 C14' . 1.507(10) ?
C14 H14A . 0.9600 ?
C14 H14B . 0.9600 ?
C14 H14C . 0.9600 ?
C14' H14D . 0.9600 ?
C14' H14E . 0.9600 ?
C14' H14F . 0.9600 ?
Cl1 O8 . 1.368(9) ?
Cl1 O10' . 1.384(8) ?
Cl1 O7' . 1.390(9) ?
Cl1 O9 . 1.399(9) ?
Cl1 O8' . 1.414(10) ?
Cl1 O7 . 1.423(9) ?
Cl1 O10 . 1.451(9) ?
Cl1 O9' . 1.452(10) ?
O8 O8' . 0.988(19) ?
O8 O9' . 1.557(19) ?
O9 O10' . 1.278(15) ?
O9 O9' . 1.307(17) ?
O10 O10' . 1.280(17) ?
O10 O8' . 1.650(18) ?
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 H2W O4 4_576 0.82(4) 2.19(3) 2.891(5) 145(5)
O1W H1W O6 4_575 0.81(4) 1.99(4) 2.786(5) 167(6)
