#------------------------------------------------------------------------------
#$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $
#$Revision: 211332 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/21/93/2219340.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_2219340
loop_
_publ_author_name
'Diallo, Madina'
'Tamboura, Farba Bouyagui'
'Gaye, Mohamed'
'Barry, Aliou Hamady'
'Bah, Youssouph'
_publ_section_title
;The cocrystal
 μ-oxalato-κ⁴O¹,O²:O^1'^,O^2'^-bis(aqua(nitrato-κO){[1-(2-pyridyl-κN)ethylidene]hydrazine-κN}copper(II))
 μ-oxalato-κ⁴O¹,O²:O^1'^,O^2'^-bis((methanol-κO)(nitrato-κO){[1-(2-pyridyl-κN)ethylidene]hydrazine-κN}copper(II))
 (1/1)
;
_journal_coeditor_code           HB2759
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1124
_journal_page_last               m1125
_journal_paper_doi               10.1107/S1600536808024550
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac
;
[Cu2 (C2 O4) (N O3)2 (C7 H9 N3)2 (H2 O)2]
[Cu2 (C2 O4) (N O3)2 (C7 H9 N3)2 (C H4 O)2]
;
_chemical_formula_moiety         'C18 H26 Cu2 N8 O12, C16 H22 Cu2 N8 O12'
_chemical_formula_sum            'C34 H48 Cu4 N16 O24'
_chemical_formula_weight         1319.04
_chemical_name_systematic
;
μ-oxalato-κ⁴O¹,O²:O^1'^,O^2'^-
bis(aqua(nitrato-κO){[1-(2-pyridyl-κN)ethylidene]hydrazine-
κN}copper(II))--μ-oxalato-
κ⁴O¹,O²:O^1'^,O^2'^-
bis((methanol-\kO)(nitrato-κO){[1-(2-pyridyl-
κN)ethylidene]hydrazine-κN}copper(II)) (1/1)
;
_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   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.704(4)
_cell_angle_beta                 112.573(4)
_cell_angle_gamma                107.821(4)
_cell_formula_units_Z            1
_cell_length_a                   9.8358(9)
_cell_length_b                   12.3773(10)
_cell_length_c                   12.7136(10)
_cell_measurement_reflns_used    3872
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.981
_cell_measurement_theta_min      0.998
_cell_volume                     1245.2(2)
_computing_cell_refinement       'DENZO (Nonius, 1998)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        'DENZO (Nonius, 1998)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'π [IS PI CORRECT?]'
_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  0.0573
_diffrn_reflns_av_sigmaI/netI    0.0695
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11826
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.89
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.786
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.759
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             672
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.916
_refine_diff_density_min         -0.536
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         4872
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0882
_refine_ls_R_factor_gt           0.0589
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0157P)²+3.8674P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1047
_refine_ls_wR_factor_ref         0.1122
_reflns_number_gt                3644
_reflns_number_total             4872
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hb2759.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_hydrogens' value 'difmap and geom' was changed
to 'mixed'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_cell_volume        1245.15(18)
_cod_database_code               2219340
_cod_database_fobs_code          2219340
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
Cu Cu1 0.16109(7) -0.43205(5) -0.26049(5) 0.02519(16) Uani d . 1
Cu Cu2 0.80107(7) -0.09303(5) -0.23584(5) 0.02536(16) Uani d . 1
O O1 0.1705(4) -0.3628(3) -0.3847(3) 0.0256(7) Uani d . 1
O O2 -0.0358(4) -0.5775(3) -0.4088(3) 0.0256(7) Uani d . 1
O O3 0.0280(5) -0.3375(4) -0.1957(4) 0.0411(9) Uani d D 1
O O4 0.3402(5) -0.5415(4) -0.2903(3) 0.0421(9) Uani d . 1
O O5 0.2179(6) -0.7368(4) -0.4051(4) 0.0650(13) Uani d . 1
O O6 0.2292(5) -0.6055(3) -0.4905(3) 0.0406(9) Uani d . 1
O O7 0.8412(4) -0.1491(3) -0.0993(3) 0.0260(7) Uani d . 1
O O8 0.9916(4) 0.0660(3) -0.1073(3) 0.0264(7) Uani d . 1
O O9 0.9512(4) -0.1775(3) -0.3019(3) 0.0342(8) Uani d . 1
H H24 0.8965 -0.2413 -0.3686 0.08(3) Uiso calc R 1
O O10 0.6195(5) -0.0053(4) -0.1877(3) 0.0470(10) Uani d . 1
O O11 0.7199(6) 0.1888(4) -0.0798(5) 0.0727(15) Uani d . 1
O O12 0.7466(6) 0.0644(4) 0.0110(4) 0.0639(13) Uani d . 1
N N1 0.1741(5) -0.4997(4) -0.1337(4) 0.0303(10) Uani d . 1
N N2 0.3849(5) -0.3083(4) -0.1229(4) 0.0306(10) Uani d . 1
N N3 0.4829(6) -0.2153(5) -0.1376(5) 0.0483(13) Uani d D 1
N N4 0.2618(5) -0.6290(4) -0.3950(4) 0.0343(10) Uani d . 1
N N5 0.7526(5) -0.0355(4) -0.3705(4) 0.0287(9) Uani d . 1
N N6 0.5987(5) -0.2449(4) -0.3691(3) 0.0277(9) Uani d . 1
N N7 0.5443(6) -0.3515(4) -0.3500(4) 0.0345(10) Uani d D 1
N N8 0.6948(6) 0.0835(5) -0.0856(4) 0.0415(12) Uani d . 1
C C1 0.0535(8) -0.5935(5) -0.1446(5) 0.0396(13) Uani d . 1
H H1 -0.0475 -0.6368 -0.2208 0.048 Uiso calc R 1
C C2 0.0702(9) -0.6314(5) -0.0462(6) 0.0503(16) Uani d . 1
H H2 -0.0178 -0.6988 -0.0545 0.060 Uiso calc R 1
C C3 0.2192(8) -0.5670(5) 0.0630(5) 0.0472(15) Uani d . 1
H H3 0.2353 -0.5910 0.1308 0.057 Uiso calc R 1
C C4 0.3432(8) -0.4695(6) 0.0739(5) 0.0468(15) Uani d . 1
H H4 0.4456 -0.4256 0.1490 0.056 Uiso calc R 1
C C5 0.3192(7) -0.4341(5) -0.0259(4) 0.0316(12) Uani d . 1
C C6 0.4383(6) -0.3281(5) -0.0245(5) 0.0362(13) Uani d . 1
C C7 0.6073(7) -0.2464(6) 0.0880(5) 0.0503(16) Uani d . 1
H H7A 0.6882 -0.2226 0.0606 0.076 Uiso calc R 1
H H7B 0.6354 -0.2921 0.1398 0.076 Uiso calc R 1
H H7C 0.6076 -0.1718 0.1366 0.076 Uiso calc R 1
C C8 0.0597(6) -0.4386(4) -0.4928(4) 0.0221(10) Uani d . 1
C C9 0.8353(7) 0.0747(5) -0.3624(5) 0.0346(12) Uani d . 1
H H9 0.9293 0.1336 -0.2851 0.042 Uiso calc R 1
C C10 0.7900(7) 0.1081(5) -0.4626(5) 0.0425(14) Uani d . 1
H H10 0.8512 0.1884 -0.4548 0.051 Uiso calc R 1
C C11 0.6536(7) 0.0212(6) -0.5740(5) 0.0414(14) Uani d . 1
H H11 0.6201 0.0418 -0.6442 0.050 Uiso calc R 1
C C12 0.5649(7) -0.0957(5) -0.5847(5) 0.0374(13) Uani d . 1
H H12 0.4699 -0.1549 -0.6613 0.045 Uiso calc R 1
C C13 0.6171(6) -0.1254(5) -0.4813(4) 0.0292(11) Uani d . 1
C C14 0.5375(6) -0.2435(5) -0.4771(4) 0.0288(11) Uani d . 1
C C15 0.3982(6) -0.3556(5) -0.5918(5) 0.0392(13) Uani d . 1
H H15A 0.4234 -0.4267 -0.5971 0.059 Uiso calc R 1
H H15B 0.3837 -0.3385 -0.6659 0.059 Uiso calc R 1
H H15C 0.2969 -0.3744 -0.5871 0.059 Uiso calc R 1
C C16 0.9575(5) -0.0615(4) 0.0021(4) 0.0217(10) Uani d . 1
C C17 1.0924(8) -0.0986(6) -0.2984(6) 0.0484(15) Uani d . 1
H H17A 1.0615 -0.0565 -0.3535 0.073 Uiso calc R 1
H H17B 1.1430 -0.1476 -0.3263 0.073 Uiso calc R 1
H H17C 1.1708 -0.0368 -0.2131 0.073 Uiso calc R 1
H H18 0.107(6) -0.277(4) -0.112(3) 0.058(19) Uiso d D 1
H H19 -0.001(7) -0.277(4) -0.220(5) 0.050(17) Uiso d D 1
H H20 0.418(8) -0.186(6) -0.190(5) 0.09(3) Uiso d D 1
H H21 0.570(7) -0.154(6) -0.055(4) 0.12(3) Uiso d D 1
H H22 0.437(4) -0.406(4) -0.420(4) 0.055(18) Uiso d D 1
H H23 0.559(8) -0.332(6) -0.268(3) 0.07(2) Uiso d D 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cu Cu 0.3201 1.2651 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
N1 Cu1 O1 . . 174.12(15) ?
N1 Cu1 N2 . . 80.65(18) n
O1 Cu1 N2 . . 95.44(16) ?
N1 Cu1 O2 . . 98.76(16) ?
O1 Cu1 O2 . . 84.01(13) n
N2 Cu1 O2 . . 166.68(14) ?
N1 Cu1 O3 . . 86.33(15) ?
O1 Cu1 O3 . . 98.48(13) ?
N2 Cu1 O3 . . 95.43(16) ?
O2 Cu1 O3 . . 97.82(14) ?
N1 Cu1 O4 . . 83.01(14) ?
O1 Cu1 O4 . . 91.90(12) ?
N2 Cu1 O4 . . 78.20(14) ?
O2 Cu1 O4 . . 88.50(12) ?
O3 Cu1 O4 . . 168.33(13) n
N5 Cu2 O7 . . 177.14(15) ?
N5 Cu2 O8 . . 95.30(15) ?
O7 Cu2 O8 . . 85.09(13) n
N5 Cu2 N6 . . 81.51(17) n
O7 Cu2 N6 . . 97.92(15) ?
O8 Cu2 N6 . . 175.14(15) ?
N5 Cu2 O9 . . 89.35(14) ?
O7 Cu2 O9 . . 93.43(13) ?
O8 Cu2 O9 . . 95.95(13) ?
N6 Cu2 O9 . . 87.70(14) ?
N5 Cu2 O10 . . 85.40(14) ?
O7 Cu2 O10 . . 91.78(13) ?
O8 Cu2 O10 . . 87.50(13) ?
N6 Cu2 O10 . . 88.58(14) ?
O9 Cu2 O10 . . 173.97(12) n
C8 O1 Cu1 . . 111.0(3) ?
C8 O2 Cu1 2_544 . 110.9(3) ?
Cu1 O3 H18 . . 106(4) ?
Cu1 O3 H19 . . 126(3) ?
H18 O3 H19 . . 92(5) ?
N4 O4 Cu1 . . 110.5(3) ?
C16 O7 Cu2 . . 110.2(3) ?
C16 O8 Cu2 2_755 . 110.3(3) ?
C17 O9 Cu2 . . 119.5(3) ?
C17 O9 H24 . . 109.5 ?
Cu2 O9 H24 . . 116.3 ?
N8 O10 Cu2 . . 113.3(3) ?
C1 N1 C5 . . 121.1(5) ?
C1 N1 Cu1 . . 125.4(4) ?
C5 N1 Cu1 . . 113.4(3) ?
C6 N2 N3 . . 121.3(5) ?
C6 N2 Cu1 . . 116.4(4) ?
N3 N2 Cu1 . . 122.0(3) ?
N2 N3 H20 . . 110(5) ?
N2 N3 H21 . . 108(5) ?
H20 N3 H21 . . 116(7) ?
O5 N4 O4 . . 120.6(5) ?
O5 N4 O6 . . 120.2(5) ?
O4 N4 O6 . . 119.2(4) ?
C9 N5 C13 . . 121.2(4) ?
C9 N5 Cu2 . . 126.3(3) ?
C13 N5 Cu2 . . 112.6(3) ?
C14 N6 N7 . . 121.9(4) ?
C14 N6 Cu2 . . 115.9(4) ?
N7 N6 Cu2 . . 121.5(3) ?
N6 N7 H22 . . 106(4) ?
N6 N7 H23 . . 111(4) ?
H22 N7 H23 . . 119(5) ?
O11 N8 O10 . . 120.4(5) ?
O11 N8 O12 . . 120.7(5) ?
O10 N8 O12 . . 118.9(5) ?
N1 C1 C2 . . 121.7(6) ?
N1 C1 H1 . . 119.2 ?
C2 C1 H1 . . 119.2 ?
C3 C2 C1 . . 117.6(6) ?
C3 C2 H2 . . 121.2 ?
C1 C2 H2 . . 121.2 ?
C4 C3 C2 . . 120.4(5) ?
C4 C3 H3 . . 119.8 ?
C2 C3 H3 . . 119.8 ?
C3 C4 C5 . . 119.7(6) ?
C3 C4 H4 . . 120.1 ?
C5 C4 H4 . . 120.1 ?
N1 C5 C4 . . 119.5(5) ?
N1 C5 C6 . . 115.2(4) ?
C4 C5 C6 . . 125.3(5) ?
N2 C6 C5 . . 114.2(4) ?
N2 C6 C7 . . 123.9(5) ?
C5 C6 C7 . . 121.8(5) ?
C6 C7 H7A . . 109.5 ?
C6 C7 H7B . . 109.5 ?
H7A C7 H7B . . 109.5 ?
C6 C7 H7C . . 109.5 ?
H7A C7 H7C . . 109.5 ?
H7B C7 H7C . . 109.5 ?
O1 C8 O2 . 2_544 126.0(4) ?
O1 C8 C8 . 2_544 117.4(5) ?
O2 C8 C8 2_544 2_544 116.6(5) ?
N5 C9 C10 . . 122.3(5) ?
N5 C9 H9 . . 118.9 ?
C10 C9 H9 . . 118.9 ?
C11 C10 C9 . . 118.0(5) ?
C11 C10 H10 . . 121.0 ?
C9 C10 H10 . . 121.0 ?
C10 C11 C12 . . 120.7(5) ?
C10 C11 H11 . . 119.7 ?
C12 C11 H11 . . 119.7 ?
C11 C12 C13 . . 119.1(5) ?
C11 C12 H12 . . 120.4 ?
C13 C12 H12 . . 120.4 ?
N5 C13 C12 . . 118.7(5) ?
N5 C13 C14 . . 115.4(4) ?
C12 C13 C14 . . 125.9(5) ?
N6 C14 C13 . . 114.4(4) ?
N6 C14 C15 . . 123.1(5) ?
C13 C14 C15 . . 122.5(4) ?
C14 C15 H15A . . 109.5 ?
C14 C15 H15B . . 109.5 ?
H15A C15 H15B . . 109.5 ?
C14 C15 H15C . . 109.5 ?
H15A C15 H15C . . 109.5 ?
H15B C15 H15C . . 109.5 ?
O8 C16 O7 2_755 . 125.8(4) ?
O8 C16 C16 2_755 2_755 116.7(5) ?
O7 C16 C16 . 2_755 117.6(5) ?
O9 C17 H17A . . 109.5 ?
O9 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
O9 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
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
Cu1 N1 . 1.966(4) y
Cu1 O1 . 1.986(3) y
Cu1 N2 . 1.991(4) y
Cu1 O2 . 2.000(3) y
Cu1 O3 . 2.252(4) y
Cu1 O4 . 2.610(4) y
Cu2 N5 . 1.955(4) y
Cu2 O7 . 1.966(3) y
Cu2 O8 . 1.981(3) y
Cu2 N6 . 1.994(4) y
Cu2 O9 . 2.337(3) y
Cu2 O10 . 2.541(4) y
O1 C8 . 1.254(5) ?
O2 C8 2_544 1.258(5) ?
O3 H18 . 0.96(2) ?
O3 H19 . 0.95(2) ?
O4 N4 . 1.248(5) ?
O5 N4 . 1.227(6) ?
O6 N4 . 1.260(5) ?
O7 C16 . 1.262(5) ?
O8 C16 2_755 1.258(5) ?
O9 C17 . 1.409(6) ?
O9 H24 . 0.8400 ?
O10 N8 . 1.237(5) ?
O11 N8 . 1.228(6) ?
O12 N8 . 1.247(6) ?
N1 C1 . 1.315(7) ?
N1 C5 . 1.356(6) ?
N2 C6 . 1.273(7) ?
N2 N3 . 1.360(6) ?
N3 H20 . 0.95(2) ?
N3 H21 . 0.97(2) ?
N5 C9 . 1.313(7) ?
N5 C13 . 1.381(6) ?
N6 C14 . 1.277(6) ?
N6 N7 . 1.381(6) ?
N7 H22 . 0.96(2) ?
N7 H23 . 0.95(2) ?
C1 C2 . 1.406(8) ?
C1 H1 . 0.9500 ?
C2 C3 . 1.382(9) ?
C2 H2 . 0.9500 ?
C3 C4 . 1.362(8) ?
C3 H3 . 0.9500 ?
C4 C5 . 1.397(7) ?
C4 H4 . 0.9500 ?
C5 C6 . 1.458(8) ?
C6 C7 . 1.514(7) ?
C7 H7A . 0.9800 ?
C7 H7B . 0.9800 ?
C7 H7C . 0.9800 ?
C8 O2 2_544 1.258(5) ?
C8 C8 2_544 1.527(9) ?
C9 C10 . 1.386(7) ?
C9 H9 . 0.9500 ?
C10 C11 . 1.378(8) ?
C10 H10 . 0.9500 ?
C11 C12 . 1.384(8) ?
C11 H11 . 0.9500 ?
C12 C13 . 1.398(7) ?
C12 H12 . 0.9500 ?
C13 C14 . 1.457(7) ?
C14 C15 . 1.508(7) ?
C15 H15A . 0.9800 ?
C15 H15B . 0.9800 ?
C15 H15C . 0.9800 ?
C16 O8 2_755 1.258(5) ?
C16 C16 2_755 1.520(9) ?
C17 H17A . 0.9800 ?
C17 H17B . 0.9800 ?
C17 H17C . 0.9800 ?
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
O3 H18 O11 2_655 0.96(2) 2.11(3) 3.048(7) 164(5)
O3 H18 O12 2_655 0.96(2) 2.30(4) 3.084(6) 138(5)
O3 H18 N8 2_655 0.96(2) 2.53(2) 3.471(6) 167(5)
O3 H19 O9 1_455 0.95(2) 1.85(2) 2.777(5) 165(5)
N3 H20 O1 . 0.95(2) 2.53(7) 3.014(6) 112(5)
N3 H21 O12 . 0.97(2) 2.44(7) 3.150(7) 130(7)
N7 H22 O6 . 0.96(2) 2.35(4) 3.131(6) 138(5)
N7 H23 N3 . 0.95(2) 2.43(5) 3.196(7) 138(5)
N7 H23 O7 . 0.95(2) 2.59(6) 3.091(5) 113(5)
O9 H24 O6 2_644 0.84 1.89 2.731(5) 174
O9 H24 N4 2_644 0.84 2.57 3.367(6) 158
O9 H24 O5 2_644 0.84 2.56 3.171(6) 130
