#------------------------------------------------------------------------------
#$Date: 2021-11-06 21:47:23 +0200 (Sat, 06 Nov 2021) $
#$Revision: 270411 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/36/7243677.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7243677
loop_
_publ_author_name
'Thuéry, Pierre'
'Harrowfield, Jack'
_publ_section_title
;
 Uranyl ion complexes with
 2,2′:6′,2′′-terpyridine-4′-carboxylate.
 Interpenetration of networks involving “expanded ligands”
;
_journal_issue                   41
_journal_name_full               CrystEngComm
_journal_page_first              7305
_journal_page_last               7313
_journal_paper_doi               10.1039/D1CE01215K
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C18 H17 N3 O11 Pb U'
_chemical_formula_weight         896.57
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2021-08-26 deposited with the CCDC.	2021-10-04 downloaded from the CCDC.
;
_cell_angle_alpha                63.375(2)
_cell_angle_beta                 74.261(2)
_cell_angle_gamma                80.690(2)
_cell_formula_units_Z            2
_cell_length_a                   10.4295(5)
_cell_length_b                   10.5028(6)
_cell_length_c                   11.5621(6)
_cell_measurement_reflns_used    667
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.1853
_cell_measurement_theta_min      2.0155
_cell_volume                     1088.56(10)
_computing_cell_refinement       'APEX3 v2019.1-0 (Bruker AXS)'
_computing_data_collection       'Bruker Instrument Service vV6.2.14'
_computing_data_reduction        'SAINT V8.40A (Bruker Nano, Inc., 2019)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 958)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'XT, VERSION 2014/5'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III area detector'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'Kappa diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'multilayer mirror optics'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0511
_diffrn_reflns_av_unetI/netI     0.0218
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            74394
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         2.02
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_type              'Incoatec I\ms 70 W'
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    15.219
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_correction_T_min  0.55
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            'translucent intense yellow'
_exptl_crystal_density_diffrn    2.735
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             816
_exptl_crystal_size_max          0.109
_exptl_crystal_size_mid          0.063
_exptl_crystal_size_min          0.057
_refine_diff_density_max         0.971
_refine_diff_density_min         -1.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.192
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     332
_refine_ls_number_reflns         4133
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.194
_refine_ls_R_factor_all          0.0209
_refine_ls_R_factor_gt           0.0203
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+6.8950P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0466
_refine_ls_wR_factor_ref         0.0468
_reflns_number_gt                3998
_reflns_number_total             4133
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ce01215k1.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7243676--7243679.cif.
;
_cod_database_code               7243677
loop_
_space_group_symop_operation_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_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
U U1 0.44756(2) 0.90489(2) 0.91116(2) 0.01251(6) Uani d . . . 1 . .
Pb Pb1 0.22507(2) 0.80215(2) 0.61246(2) 0.01967(6) Uani d . . . 1 . .
O O1 0.5382(3) 0.7413(4) 0.9906(3) 0.0181(7) Uani d . . . 1 . .
O O2 0.3551(3) 1.0622(4) 0.8200(3) 0.0214(7) Uani d . . . 1 . .
O O3 -0.2477(3) 0.2154(4) 0.9461(3) 0.0187(7) Uani d . . . 1 . .
O O4 -0.1586(3) 0.1816(3) 0.7624(3) 0.0164(7) Uani d . . . 1 . .
O O5 0.3698(3) 0.7899(3) 0.8029(3) 0.0166(7) Uani d . . . 1 . .
O O6 0.3224(3) 0.6038(3) 0.7839(3) 0.0181(7) Uani d . . . 1 . .
O O7 0.6070(3) 0.9415(4) 0.7053(3) 0.0194(7) Uani d . . . 1 . .
O O8 0.7769(5) 0.8467(5) 0.6009(5) 0.0470(12) Uani d . . . 1 . .
O O9 0.6029(3) 1.0405(4) 0.9069(3) 0.0205(7) Uani d . . D 1 . .
H H9 0.668(4) 1.075(7) 0.844(4) 0.038(18) Uiso d . . D 1 . .
O O10 0.0508(4) 0.8722(4) 0.4616(4) 0.0250(8) Uani d . . D 1 . .
H H10A -0.028(2) 0.853(7) 0.502(5) 0.037 Uiso d U . D 1 . .
H H10B 0.070(5) 0.845(7) 0.401(4) 0.037 Uiso d U . D 1 . .
O O11 0.2035(7) 1.1091(7) 0.6389(7) 0.0217(14) Uani d . P . 0.5 . .
O O12 0.5129(7) 0.8669(8) 0.5095(7) 0.0254(16) Uani d U P D 0.5 . .
H H12A 0.592(5) 0.858(11) 0.471(10) 0.038 Uiso d U P D 0.5 . .
H H12B 0.487(10) 0.952(4) 0.470(10) 0.038 Uiso d U P D 0.5 . .
N N1 0.3032(4) 0.6395(4) 0.4999(4) 0.0178(8) Uani d . . . 1 . .
N N2 0.0836(4) 0.5916(4) 0.6996(4) 0.0121(7) Uani d . . . 1 . .
N N3 0.0385(4) 0.7750(4) 0.8132(4) 0.0173(8) Uani d . . . 1 . .
C C1 -0.0793(4) 0.3662(5) 0.7864(4) 0.0118(8) Uani d . . . 1 . .
C C2 0.0302(4) 0.3896(5) 0.6801(4) 0.0138(9) Uani d . . . 1 . .
H H2 0.049993 0.329075 0.635746 0.017 Uiso calc U . R 1 . .
C C3 0.1106(4) 0.5029(5) 0.6393(4) 0.0129(8) Uani d . . . 1 . .
C C4 -0.0221(4) 0.5691(5) 0.8032(4) 0.0122(8) Uani d . . . 1 . .
C C5 -0.1047(4) 0.4575(5) 0.8479(4) 0.0135(9) Uani d . . . 1 . .
H H5 -0.178776 0.443629 0.920889 0.016 Uiso calc U . R 1 . .
C C6 -0.1687(4) 0.2447(5) 0.8337(4) 0.0135(9) Uani d . . . 1 . .
C C7 0.2298(4) 0.5319(5) 0.5269(4) 0.0141(9) Uani d . . . 1 . .
C C8 0.2627(5) 0.4532(5) 0.4527(5) 0.0197(10) Uani d . . . 1 . .
H H8 0.209533 0.377606 0.47245 0.024 Uiso calc U . R 1 . .
C C9 0.3747(5) 0.4870(6) 0.3494(5) 0.0245(11) Uani d . . . 1 . .
H H9A 0.398791 0.434341 0.297369 0.029 Uiso calc U . R 1 . .
C C10 0.4506(5) 0.5955(6) 0.3219(5) 0.0231(11) Uani d . . . 1 . .
H H10 0.528034 0.618808 0.251556 0.028 Uiso calc U . R 1 . .
C C11 0.4123(5) 0.6705(5) 0.3985(5) 0.0214(10) Uani d . . . 1 . .
H H11 0.464332 0.746741 0.379431 0.026 Uiso calc U . R 1 . .
C C12 -0.0461(4) 0.6695(5) 0.8671(4) 0.0136(9) Uani d . . . 1 . .
C C13 -0.1502(5) 0.6560(5) 0.9744(5) 0.0174(9) Uani d . . . 1 . .
H H13 -0.207983 0.579305 1.012174 0.021 Uiso calc U . R 1 . .
C C14 -0.1701(5) 0.7554(5) 1.0271(5) 0.0188(10) Uani d . . . 1 . .
H H14 -0.241974 0.748224 1.100388 0.023 Uiso calc U . R 1 . .
C C15 -0.0835(5) 0.8646(5) 0.9709(5) 0.0213(10) Uani d . . . 1 . .
H H15 -0.094835 0.934207 1.004642 0.026 Uiso calc U . R 1 . .
C C16 0.0203(5) 0.8710(5) 0.8643(5) 0.0215(10) Uani d . . . 1 . .
H H16 0.080671 0.945511 0.826049 0.026 Uiso calc U . R 1 . .
C C17 0.3735(4) 0.6588(5) 0.8349(4) 0.0158(9) Uani d . . . 1 . .
H H17 0.418654 0.597247 0.902731 0.019 Uiso calc U . R 1 . .
C C18 0.7224(5) 0.8857(6) 0.6881(5) 0.0282(12) Uani d . . . 1 . .
H H18 0.773066 0.872306 0.750032 0.034 Uiso calc U . R 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'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -3.3944 10.1111 '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 U1 O2 . . 174.23(15) ?
O1 U1 O9 . . 92.49(14) ?
O2 U1 O9 . . 91.46(14) ?
O1 U1 O9 . 2_677 93.98(14) ?
O2 U1 O9 . 2_677 91.45(14) ?
O9 U1 O9 . 2_677 66.31(13) ?
O1 U1 O3 . 2_567 87.12(13) ?
O2 U1 O3 . 2_567 92.56(14) ?
O9 U1 O3 . 2_567 139.94(11) ?
O9 U1 O3 2_677 2_567 73.75(11) ?
O1 U1 O7 . . 88.48(13) ?
O2 U1 O7 . . 88.31(14) ?
O9 U1 O7 . . 77.02(11) ?
O9 U1 O7 2_677 . 143.31(11) ?
O3 U1 O7 2_567 . 142.92(11) ?
O1 U1 O5 . . 88.12(13) ?
O2 U1 O5 . . 86.33(13) ?
O9 U1 O5 . . 148.87(11) ?
O9 U1 O5 2_677 . 144.72(11) ?
O3 U1 O5 2_567 . 71.19(11) ?
O7 U1 O5 . . 71.88(11) ?
O1 U1 U1 . 2_677 93.87(10) ?
O2 U1 U1 . 2_677 91.74(11) ?
O9 U1 U1 . 2_677 33.37(8) ?
O9 U1 U1 2_677 2_677 32.94(8) ?
O3 U1 U1 2_567 2_677 106.64(8) ?
O7 U1 U1 . 2_677 110.38(8) ?
O5 U1 U1 . 2_677 177.00(8) ?
O6 Pb1 N1 . . 80.34(11) ?
O6 Pb1 N2 . . 72.84(11) ?
N1 Pb1 N2 . . 65.17(12) ?
O6 Pb1 N3 . . 80.69(12) ?
N1 Pb1 N3 . . 129.64(12) ?
N2 Pb1 N3 . . 64.73(12) ?
O6 Pb1 O10 . . 144.35(11) ?
N1 Pb1 O10 . . 78.74(12) ?
N2 Pb1 O10 . . 72.25(12) ?
N3 Pb1 O10 . . 90.89(12) ?
O6 Pb1 O5 . . 47.29(10) ?
N1 Pb1 O5 . . 118.54(11) ?
N2 Pb1 O5 . . 113.45(10) ?
N3 Pb1 O5 . . 77.93(11) ?
O10 Pb1 O5 . . 162.72(10) ?
O6 Pb1 O12 . . 79.18(15) ?
N1 Pb1 O12 . . 80.05(18) ?
N2 Pb1 O12 . . 138.11(18) ?
N3 Pb1 O12 . . 140.01(17) ?
O10 Pb1 O12 . . 124.53(15) ?
O5 Pb1 O12 . . 63.04(15) ?
O6 Pb1 O11 . . 112.96(14) ?
N1 Pb1 O11 . . 155.11(15) ?
N2 Pb1 O11 . . 137.63(14) ?
N3 Pb1 O11 . . 74.66(14) ?
O10 Pb1 O11 . . 97.72(14) ?
O5 Pb1 O11 . . 66.80(13) ?
O12 Pb1 O11 . . 82.0(2) ?
O6 Pb1 O8 . 2_676 148.44(11) ?
N1 Pb1 O8 . 2_676 113.73(12) ?
N2 Pb1 O8 . 2_676 138.39(12) ?
N3 Pb1 O8 . 2_676 106.62(11) ?
O10 Pb1 O8 . 2_676 67.14(12) ?
O5 Pb1 O8 . 2_676 103.19(11) ?
O12 Pb1 O8 . 2_676 75.99(16) ?
O11 Pb1 O8 . 2_676 44.52(14) ?
C6 O3 U1 . 2_567 143.7(3) ?
C17 O5 U1 . . 126.7(3) ?
C17 O5 Pb1 . . 82.3(2) ?
U1 O5 Pb1 . . 150.59(13) ?
C17 O6 Pb1 . . 105.9(3) ?
C18 O7 U1 . . 128.6(3) ?
U1 O9 U1 . 2_677 113.69(13) ?
U1 O9 H9 . . 125.(5) ?
U1 O9 H9 2_677 . 121.(5) ?
Pb1 O10 H10A . . 116.(4) ?
Pb1 O10 H10B . . 117.(4) ?
H10A O10 H10B . . 108.0(18) ?
Pb1 O12 H12A . . 155.(9) ?
Pb1 O12 H12B . . 86.(7) ?
H12A O12 H12B . . 107.4(18) ?
C7 N1 C11 . . 118.8(4) ?
C7 N1 Pb1 . . 121.0(3) ?
C11 N1 Pb1 . . 119.7(3) ?
C3 N2 C4 . . 119.5(4) ?
C3 N2 Pb1 . . 119.8(3) ?
C4 N2 Pb1 . . 120.7(3) ?
C12 N3 C16 . . 119.1(4) ?
C12 N3 Pb1 . . 121.2(3) ?
C16 N3 Pb1 . . 119.7(3) ?
C5 C1 C2 . . 118.4(4) ?
C5 C1 C6 . . 120.7(4) ?
C2 C1 C6 . . 120.9(4) ?
C1 C2 C3 . . 119.3(4) ?
C1 C2 H2 . . 120.3 ?
C3 C2 H2 . . 120.3 ?
N2 C3 C2 . . 121.5(4) ?
N2 C3 C7 . . 117.0(4) ?
C2 C3 C7 . . 121.5(4) ?
N2 C4 C5 . . 121.2(4) ?
N2 C4 C12 . . 117.1(4) ?
C5 C4 C12 . . 121.7(4) ?
C1 C5 C4 . . 120.1(4) ?
C1 C5 H5 . . 119.9 ?
C4 C5 H5 . . 119.9 ?
O4 C6 O3 . . 125.8(4) ?
O4 C6 C1 . . 118.9(4) ?
O3 C6 C1 . . 115.3(4) ?
N1 C7 C8 . . 121.5(4) ?
N1 C7 C3 . . 116.5(4) ?
C8 C7 C3 . . 122.1(4) ?
C7 C8 C9 . . 118.7(5) ?
C7 C8 H8 . . 120.7 ?
C9 C8 H8 . . 120.7 ?
C10 C9 C8 . . 120.3(5) ?
C10 C9 H9A . . 119.8 ?
C8 C9 H9A . . 119.8 ?
C9 C10 C11 . . 118.3(4) ?
C9 C10 H10 . . 120.8 ?
C11 C10 H10 . . 120.8 ?
N1 C11 C10 . . 122.4(5) ?
N1 C11 H11 . . 118.8 ?
C10 C11 H11 . . 118.8 ?
N3 C12 C13 . . 121.6(4) ?
N3 C12 C4 . . 116.2(4) ?
C13 C12 C4 . . 122.2(4) ?
C12 C13 C14 . . 119.6(4) ?
C12 C13 H13 . . 120.2 ?
C14 C13 H13 . . 120.2 ?
C15 C14 C13 . . 118.8(5) ?
C15 C14 H14 . . 120.6 ?
C13 C14 H14 . . 120.6 ?
C14 C15 C16 . . 118.8(4) ?
C14 C15 H15 . . 120.6 ?
C16 C15 H15 . . 120.6 ?
N3 C16 C15 . . 122.2(4) ?
N3 C16 H16 . . 118.9 ?
C15 C16 H16 . . 118.9 ?
O6 C17 O5 . . 124.5(4) ?
O6 C17 H17 . . 117.7 ?
O5 C17 H17 . . 117.7 ?
O8 C18 O7 . . 127.4(6) ?
O8 C18 H18 . . 116.3 ?
O7 C18 H18 . . 116.3 ?
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
U1 O1 . 1.794(3) ?
U1 O2 . 1.802(3) ?
U1 O9 . 2.301(3) ?
U1 O9 2_677 2.327(3) ?
U1 O3 2_567 2.405(3) ?
U1 O7 . 2.411(3) ?
U1 O5 . 2.430(3) ?
U1 U1 2_677 3.8746(3) ?
Pb1 O6 . 2.451(3) ?
Pb1 N1 . 2.498(4) ?
Pb1 N2 . 2.517(4) ?
Pb1 N3 . 2.528(4) ?
Pb1 O10 . 2.650(4) ?
Pb1 O5 . 2.938(3) ?
Pb1 O12 . 2.982(7) ?
Pb1 O11 . 3.339(7) ?
Pb1 O8 2_676 3.397(5) ?
O3 C6 . 1.267(6) ?
O4 C6 . 1.245(5) ?
O5 C17 . 1.252(6) ?
O6 C17 . 1.241(6) ?
O7 C18 . 1.257(6) ?
O8 C18 . 1.222(7) ?
O9 H9 . 0.835(10) ?
O10 H10A . 0.835(10) ?
O10 H10B . 0.835(10) ?
O12 H12A . 0.837(10) ?
O12 H12B . 0.836(10) ?
N1 C7 . 1.341(6) ?
N1 C11 . 1.352(6) ?
N2 C3 . 1.351(6) ?
N2 C4 . 1.349(6) ?
N3 C12 . 1.339(6) ?
N3 C16 . 1.347(6) ?
C1 C5 . 1.386(6) ?
C1 C2 . 1.390(6) ?
C1 C6 . 1.511(6) ?
C2 C3 . 1.395(6) ?
C2 H2 . 0.95 ?
C3 C7 . 1.489(6) ?
C4 C5 . 1.387(6) ?
C4 C12 . 1.494(6) ?
C5 H5 . 0.95 ?
C7 C8 . 1.385(7) ?
C8 C9 . 1.384(7) ?
C8 H8 . 0.95 ?
C9 C10 . 1.362(8) ?
C9 H9A . 0.95 ?
C10 C11 . 1.377(8) ?
C10 H10 . 0.95 ?
C11 H11 . 0.95 ?
C12 C13 . 1.378(7) ?
C13 C14 . 1.391(7) ?
C13 H13 . 0.95 ?
C14 C15 . 1.379(7) ?
C14 H14 . 0.95 ?
C15 C16 . 1.387(7) ?
C15 H15 . 0.95 ?
C16 H16 . 0.95 ?
C17 H17 . 0.95 ?
C18 H18 . 0.95 ?
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
_geom_hbond_publ_flag
O9 H9 O4 1_665 0.835(10) 2.05(3) 2.809(4) 152.(6) ?
O10 H10A O8 1_455 0.835(10) 2.040(16) 2.862(6) 168.(6) ?
O10 H10B O4 2_566 0.835(10) 1.986(17) 2.796(5) 163.(5) ?
O12 H12A O11 2_676 0.837(10) 2.16(3) 2.976(10) 165.(10) ?
O12 H12B O7 2_676 0.836(10) 2.24(10) 2.859(7) 131.(11) ?
O12 H12B O12 2_676 0.836(10) 2.02(9) 2.678(16) 135.(12) ?
C2 H2 O11 1_545 0.95 2.58 3.353(8) 138.6 ?
C11 H11 O12 . 0.95 2.54 3.288(9) 136.1 ?
C13 H13 O6 2_567 0.95 2.41 3.242(6) 145.3 ?
C16 H16 O11 . 0.95 2.27 3.114(8) 147.7 ?
