#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/44/2224420.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_2224420
loop_
_publ_author_name
'Gao, Ting'
'Li, Guang-Ming'
'Gao, Po'
'Yan, Peng-Fei'
'Hou, Guang-Feng'
_publ_section_title
'[N,N'-Bis(3-methoxy-2-oxidobenzylidene)ethylenediammonium-κ⁴O,O',O'',O''']tris(nitrato-κ²O,O')dysprosium(III)'
_journal_coeditor_code           RZ2383
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1585
_journal_paper_doi               10.1107/S1600536809047436
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Dy (N O3)3 (C18 H20 N2 O4)]'
_chemical_formula_moiety         'C18 H20 Dy N5 O13'
_chemical_formula_sum            'C18 H20 Dy N5 O13'
_chemical_formula_weight         676.89
_chemical_name_systematic
;[N,N'-Bis(3-methoxy-2-oxidobenzylidene)ethylenediammonium-
κ⁴O,O',O'',O''']tris(nitrato-
κ²O,O')dysprosium(III)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 104.302(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.126(5)
_cell_length_b                   11.860(4)
_cell_length_c                   14.628(4)
_cell_measurement_reflns_used    20034
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      55.02
_cell_measurement_theta_min      6.70
_cell_volume                     2374.7(13)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0214
_diffrn_reflns_av_sigmaI/netI    0.0173
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            22587
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.35
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.224
_exptl_absorpt_correction_T_max  0.5129
_exptl_absorpt_correction_T_min  0.4539
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.893
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1332
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.411
_refine_diff_density_min         -0.538
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         5430
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.146
_refine_ls_R_factor_all          0.0237
_refine_ls_R_factor_gt           0.0196
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0164P)²+1.5062P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0428
_refine_ls_wR_factor_ref         0.0451
_reflns_number_gt                4850
_reflns_number_total             5430
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            rz2383.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2224420
_cod_database_fobs_code          2224420
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
C C1 0.29349(17) 0.18407(19) 0.20773(16) 0.0338(5) Uani d . 1 . .
C C2 0.28896(19) 0.1407(2) 0.11666(17) 0.0384(5) Uani d . 1 . .
C C3 0.2045(2) 0.0947(2) 0.06330(19) 0.0488(7) Uani d . 1 . .
H H3 0.2018 0.0683 0.0028 0.059 Uiso calc R 1 . .
C C4 0.1218(2) 0.0874(3) 0.1004(2) 0.0542(7) Uani d . 1 . .
H H4 0.0646 0.0553 0.0643 0.065 Uiso calc R 1 . .
C C5 0.12392(19) 0.1264(2) 0.1879(2) 0.0469(6) Uani d . 1 . .
H H5 0.0687 0.1201 0.2114 0.056 Uiso calc R 1 . .
C C6 0.20936(17) 0.1765(2) 0.24346(17) 0.0362(5) Uani d . 1 . .
C C7 0.21298(18) 0.2144(2) 0.33610(18) 0.0385(5) Uani d . 1 . .
H H7 0.1585 0.2031 0.3600 0.046 Uiso calc R 1 . .
C C8 0.3034(2) 0.2907(2) 0.48885(18) 0.0452(6) Uani d . 1 . .
H H8A 0.2405 0.3002 0.5034 0.054 Uiso calc R 1 . .
H H8B 0.3391 0.3610 0.5028 0.054 Uiso calc R 1 . .
C C9 0.3598(2) 0.1974(2) 0.54950(18) 0.0463(6) Uani d . 1 . .
H H9A 0.3735 0.2192 0.6154 0.056 Uiso calc R 1 . .
H H9B 0.3205 0.1294 0.5415 0.056 Uiso calc R 1 . .
C C10 0.5321(2) 0.1420(2) 0.57900(17) 0.0407(6) Uani d . 1 . .
H H10 0.5346 0.1328 0.6427 0.049 Uiso calc R 1 . .
C C11 0.61751(19) 0.1191(2) 0.54777(16) 0.0377(5) Uani d . 1 . .
C C12 0.7035(2) 0.0798(2) 0.61169(19) 0.0469(6) Uani d . 1 . .
H H12 0.7033 0.0664 0.6743 0.056 Uiso calc R 1 . .
C C13 0.7860(2) 0.0617(2) 0.5824(2) 0.0495(7) Uani d . 1 . .
H H13 0.8424 0.0375 0.6253 0.059 Uiso calc R 1 . .
C C14 0.78698(19) 0.0792(2) 0.4876(2) 0.0452(6) Uani d . 1 . .
H H14 0.8440 0.0666 0.4682 0.054 Uiso calc R 1 . .
C C15 0.70435(19) 0.1145(2) 0.42392(17) 0.0393(5) Uani d . 1 . .
C C16 0.61780(18) 0.1388(2) 0.45268(16) 0.0364(5) Uani d . 1 . .
C C17 0.7761(3) 0.1084(4) 0.2912(3) 0.0785(11) Uani d . 1 . .
H H17A 0.8281 0.1592 0.3194 0.118 Uiso calc R 1 . .
H H17B 0.7584 0.1192 0.2241 0.118 Uiso calc R 1 . .
H H17C 0.7975 0.0321 0.3052 0.118 Uiso calc R 1 . .
C C18 0.3786(3) 0.1133(3) -0.00104(19) 0.0633(9) Uani d . 1 . .
H H18A 0.3646 0.0340 -0.0063 0.095 Uiso calc R 1 . .
H H18B 0.4423 0.1268 -0.0109 0.095 Uiso calc R 1 . .
H H18C 0.3307 0.1534 -0.0477 0.095 Uiso calc R 1 . .
Dy Dy1 0.527482(8) 0.207652(10) 0.234090(7) 0.03310(4) Uani d . 1 . .
H H1 0.3368(15) 0.274(2) 0.3653(19) 0.049(8) Uiso d D 1 . .
H H2 0.452(2) 0.180(2) 0.4658(9) 0.050(8) Uiso d D 1 . .
N N1 0.28886(15) 0.26398(19) 0.38914(15) 0.0389(5) Uani d D 1 . .
N N2 0.45122(17) 0.1750(2) 0.52358(14) 0.0418(5) Uani d D 1 . .
N N3 0.5162(2) -0.0351(2) 0.19797(19) 0.0643(7) Uani d . 1 . .
N N4 0.57521(19) 0.3122(2) 0.07175(16) 0.0477(6) Uani d . 1 . .
N N5 0.58626(16) 0.42878(19) 0.31539(14) 0.0412(5) Uani d . 1 . .
O O1 0.37477(11) 0.22948(15) 0.25585(11) 0.0371(4) Uani d . 1 . .
O O2 0.37584(14) 0.15168(17) 0.09135(12) 0.0464(4) Uani d . 1 . .
O O3 0.54183(13) 0.17845(18) 0.39131(12) 0.0480(5) Uani d . 1 . .
O O4 0.69309(13) 0.13026(18) 0.32846(12) 0.0483(5) Uani d . 1 . .
O O5 0.47264(19) 0.01237(19) 0.25317(15) 0.0697(7) Uani d . 1 . .
O O6 0.5109(3) -0.1369(2) 0.1860(2) 0.1026(10) Uani d U 1 . .
O O7 0.56475(17) 0.02863(18) 0.15829(15) 0.0586(5) Uani d . 1 . .
O O8 0.62384(19) 0.2322(2) 0.11513(17) 0.0684(7) Uani d . 1 . .
O O9 0.5925(2) 0.3528(2) 0.00129(17) 0.0767(7) Uani d U 1 . .
O O10 0.50641(15) 0.3465(2) 0.10457(15) 0.0591(5) Uani d . 1 . .
O O11 0.49884(14) 0.39756(17) 0.29500(16) 0.0531(5) Uani d . 1 . .
O O12 0.61122(16) 0.52094(17) 0.35117(14) 0.0565(5) Uani d . 1 . .
O O13 0.64723(13) 0.35980(17) 0.29731(15) 0.0532(5) Uani d . 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'
Dy Dy -0.1892 4.4098 '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
O1 C1 C6 . . 122.3(2) ?
O1 C1 C2 . . 119.1(2) ?
C6 C1 C2 . . 118.6(2) ?
C3 C2 O2 . . 126.5(2) ?
C3 C2 C1 . . 120.9(2) ?
O2 C2 C1 . . 112.6(2) ?
C2 C3 C4 . . 119.6(3) ?
C2 C3 H3 . . 120.2 ?
C4 C3 H3 . . 120.2 ?
C5 C4 C3 . . 121.1(2) ?
C5 C4 H4 . . 119.4 ?
C3 C4 H4 . . 119.4 ?
C4 C5 C6 . . 120.4(3) ?
C4 C5 H5 . . 119.8 ?
C6 C5 H5 . . 119.8 ?
C5 C6 C1 . . 119.4(2) ?
C5 C6 C7 . . 120.6(2) ?
C1 C6 C7 . . 119.9(2) ?
N1 C7 C6 . . 123.0(2) ?
N1 C7 H7 . . 118.5 ?
C6 C7 H7 . . 118.5 ?
N1 C8 C9 . . 110.6(2) ?
N1 C8 H8A . . 109.5 ?
C9 C8 H8A . . 109.5 ?
N1 C8 H8B . . 109.5 ?
C9 C8 H8B . . 109.5 ?
H8A C8 H8B . . 108.1 ?
N2 C9 C8 . . 110.6(2) ?
N2 C9 H9A . . 109.5 ?
C8 C9 H9A . . 109.5 ?
N2 C9 H9B . . 109.5 ?
C8 C9 H9B . . 109.5 ?
H9A C9 H9B . . 108.1 ?
N2 C10 C11 . . 123.3(2) ?
N2 C10 H10 . . 118.4 ?
C11 C10 H10 . . 118.4 ?
C16 C11 C12 . . 119.6(2) ?
C16 C11 C10 . . 119.7(2) ?
C12 C11 C10 . . 120.6(2) ?
C13 C12 C11 . . 120.5(3) ?
C13 C12 H12 . . 119.7 ?
C11 C12 H12 . . 119.7 ?
C12 C13 C14 . . 120.5(2) ?
C12 C13 H13 . . 119.7 ?
C14 C13 H13 . . 119.7 ?
C15 C14 C13 . . 120.2(3) ?
C15 C14 H14 . . 119.9 ?
C13 C14 H14 . . 119.9 ?
C14 C15 O4 . . 126.7(2) ?
C14 C15 C16 . . 120.9(2) ?
O4 C15 C16 . . 112.4(2) ?
O3 C16 C11 . . 122.4(2) ?
O3 C16 C15 . . 119.5(2) ?
C11 C16 C15 . . 118.1(2) ?
O4 C17 H17A . . 109.5 ?
O4 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
O4 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
O2 C18 H18A . . 109.5 ?
O2 C18 H18B . . 109.5 ?
H18A C18 H18B . . 109.5 ?
O2 C18 H18C . . 109.5 ?
H18A C18 H18C . . 109.5 ?
H18B C18 H18C . . 109.5 ?
O1 Dy1 O3 . . 74.18(6) ?
O1 Dy1 O10 . . 95.32(7) ?
O3 Dy1 O10 . . 146.76(8) ?
O1 Dy1 O8 . . 142.24(7) ?
O3 Dy1 O8 . . 142.89(8) ?
O10 Dy1 O8 . . 50.68(7) ?
O1 Dy1 O5 . . 75.92(7) ?
O3 Dy1 O5 . . 72.40(7) ?
O10 Dy1 O5 . . 136.61(8) ?
O8 Dy1 O5 . . 115.47(7) ?
O1 Dy1 O13 . . 116.54(6) ?
O3 Dy1 O13 . . 81.53(7) ?
O10 Dy1 O13 . . 75.16(8) ?
O8 Dy1 O13 . . 74.63(8) ?
O5 Dy1 O13 . . 146.88(8) ?
O1 Dy1 O11 . . 66.62(6) ?
O3 Dy1 O11 . . 76.05(7) ?
O10 Dy1 O11 . . 70.88(8) ?
O8 Dy1 O11 . . 108.11(8) ?
O5 Dy1 O11 . . 136.15(7) ?
O13 Dy1 O11 . . 50.77(6) ?
O1 Dy1 O7 . . 117.92(7) ?
O3 Dy1 O7 . . 109.89(7) ?
O10 Dy1 O7 . . 102.92(8) ?
O8 Dy1 O7 . . 65.02(8) ?
O5 Dy1 O7 . . 50.60(7) ?
O13 Dy1 O7 . . 125.42(7) ?
O11 Dy1 O7 . . 173.06(7) ?
O1 Dy1 O4 . . 137.24(6) ?
O3 Dy1 O4 . . 64.10(6) ?
O10 Dy1 O4 . . 124.75(6) ?
O8 Dy1 O4 . . 80.47(7) ?
O5 Dy1 O4 . . 82.78(8) ?
O13 Dy1 O4 . . 67.37(7) ?
O11 Dy1 O4 . . 109.69(7) ?
O7 Dy1 O4 . . 70.93(7) ?
O1 Dy1 O2 . . 62.19(6) ?
O3 Dy1 O2 . . 127.01(6) ?
O10 Dy1 O2 . . 69.28(7) ?
O8 Dy1 O2 . . 87.36(8) ?
O5 Dy1 O2 . . 69.17(7) ?
O13 Dy1 O2 . . 143.90(7) ?
O11 Dy1 O2 . . 109.48(6) ?
O7 Dy1 O2 . . 70.17(7) ?
O4 Dy1 O2 . . 140.83(6) ?
C7 N1 C8 . . 126.0(2) ?
C7 N1 H1 . . 117(2) ?
C8 N1 H1 . . 117(2) ?
C10 N2 C9 . . 126.7(2) ?
C10 N2 H2 . . 115(2) ?
C9 N2 H2 . . 118(2) ?
O6 N3 O7 . . 123.5(3) ?
O6 N3 O5 . . 120.7(3) ?
O7 N3 O5 . . 115.8(2) ?
O9 N4 O8 . . 122.1(3) ?
O9 N4 O10 . . 122.2(3) ?
O8 N4 O10 . . 115.7(2) ?
O12 N5 O11 . . 121.9(2) ?
O12 N5 O13 . . 121.9(2) ?
O11 N5 O13 . . 116.2(2) ?
C1 O1 Dy1 . . 128.06(15) ?
C2 O2 C18 . . 117.2(2) ?
C2 O2 Dy1 . . 114.15(13) ?
C18 O2 Dy1 . . 127.57(18) ?
C16 O3 Dy1 . . 126.91(15) ?
C15 O4 C17 . . 117.4(2) ?
C15 O4 Dy1 . . 116.98(14) ?
C17 O4 Dy1 . . 125.54(18) ?
N3 O5 Dy1 . . 97.43(18) ?
N3 O7 Dy1 . . 96.15(16) ?
N4 O8 Dy1 . . 96.75(16) ?
N4 O10 Dy1 . . 96.83(16) ?
N5 O11 Dy1 . . 96.59(15) ?
N5 O13 Dy1 . . 96.40(14) ?
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
C1 O1 . 1.306(3) ?
C1 C6 . 1.414(3) ?
C1 C2 . 1.415(3) ?
C2 C3 . 1.367(4) ?
C2 O2 . 1.373(3) ?
C3 C4 . 1.409(4) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.353(4) ?
C4 H4 . 0.9300 ?
C5 C6 . 1.410(3) ?
C5 H5 . 0.9300 ?
C6 C7 . 1.416(4) ?
C7 N1 . 1.299(3) ?
C7 H7 . 0.9300 ?
C8 N1 . 1.457(3) ?
C8 C9 . 1.515(4) ?
C8 H8A . 0.9700 ?
C8 H8B . 0.9700 ?
C9 N2 . 1.458(3) ?
C9 H9A . 0.9700 ?
C9 H9B . 0.9700 ?
C10 N2 . 1.288(3) ?
C10 C11 . 1.418(4) ?
C10 H10 . 0.9300 ?
C11 C16 . 1.411(3) ?
C11 C12 . 1.416(4) ?
C12 C13 . 1.355(4) ?
C12 H12 . 0.9300 ?
C13 C14 . 1.404(4) ?
C13 H13 . 0.9300 ?
C14 C15 . 1.367(4) ?
C14 H14 . 0.9300 ?
C15 O4 . 1.379(3) ?
C15 C16 . 1.417(3) ?
C16 O3 . 1.305(3) ?
C17 O4 . 1.434(3) ?
C17 H17A . 0.9600 ?
C17 H17B . 0.9600 ?
C17 H17C . 0.9600 ?
C18 O2 . 1.436(3) ?
C18 H18A . 0.9600 ?
C18 H18B . 0.9600 ?
C18 H18C . 0.9600 ?
Dy1 O1 . 2.2718(18) yes
Dy1 O3 . 2.2847(18) yes
Dy1 O10 . 2.472(2) yes
Dy1 O8 . 2.477(2) yes
Dy1 O5 . 2.480(2) yes
Dy1 O13 . 2.490(2) yes
Dy1 O11 . 2.492(2) yes
Dy1 O7 . 2.510(2) yes
Dy1 O4 . 2.5740(19) yes
Dy1 O2 . 2.6794(19) yes
N1 H1 . 0.843(10) ?
N2 H2 . 0.848(10) ?
N3 O6 . 1.219(4) ?
N3 O7 . 1.255(3) ?
N3 O5 . 1.263(3) ?
N4 O9 . 1.216(3) ?
N4 O8 . 1.248(3) ?
N4 O10 . 1.254(3) ?
N5 O12 . 1.225(3) ?
N5 O11 . 1.253(3) ?
N5 O13 . 1.262(3) ?
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
N2 H2 O3 . 0.850(15) 1.87(3) 2.570(3) 139.3(14)
C8 H8B O12 3_666 0.97 2.51 3.245(3) 133
C10 H10 O5 3_656 0.93 2.32 3.076(3) 138
C3 H3 O12 4_565 0.93 2.51 3.351(3) 151
C7 H7 O9 4_566 0.93 2.56 3.376(3) 147
