#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/33/2233363.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_2233363
loop_
_publ_author_name
'Sow, Mouhamadou Moustapha'
'Diouf, Ousmane'
'Thiam, Ibrahima Elhadj'
'Gaye, Mohamed'
'Retailleau, Pascal'
_publ_section_title
;
 Bis(2-{[2-(2-hydroxybenzylamino)ethyl]aminomethyl}phenolato-κ³N,N',O¹)cobalt(III)
 nitrate monohydrate
;
_journal_coeditor_code           BH2406
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m121
_journal_page_last               m122
_journal_paper_doi               10.1107/S1600536811055851
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Co (C16 H19 N2 O2)2] N O3, H2 O'
_chemical_formula_moiety         'C32 H38 Co N4 O4 +, N O3 -, H2 O'
_chemical_formula_sum            'C32 H40 Co N5 O8'
_chemical_formula_weight         681.62
_chemical_name_systematic
;
Bis(2-{[2-(2-hydroxybenzylamino)ethyl]aminomethyl}phenolato-
κ³N,N',O¹)cobalt(III) nitrate monohydrate
;
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                106.680(2)
_cell_angle_beta                 99.950(3)
_cell_angle_gamma                109.720(2)
_cell_formula_units_Z            1
_cell_length_a                   8.989(3)
_cell_length_b                   9.032(3)
_cell_length_c                   10.621(4)
_cell_measurement_reflns_used    2525
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.350
_cell_measurement_theta_min      0.407
_cell_volume                     742.0(4)
_computing_cell_refinement
'COLLECT (Nonius, 1998) and DENZO (Otwinowski & Minor, 1997)'
_computing_data_collection
'COLLECT (Nonius, 1998) and DENZO (Otwinowski & Minor, 1997)'
_computing_data_reduction        'SCALEPACK (Otwinowski & Minor 1997)'
_computing_molecular_graphics
'PLATON (Spek, 2009) and Mercury (Macrae et al., 2006)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement
'SHELXL97 (Sheldrick, 2008) and CRYSTALBUILDER (Welter, 2006)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.957
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0187
_diffrn_reflns_av_sigmaI/netI    0.0272
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            16124
_diffrn_reflns_theta_full        25.71
_diffrn_reflns_theta_max         25.71
_diffrn_reflns_theta_min         2.77
_exptl_absorpt_coefficient_mu    0.642
_exptl_absorpt_correction_T_max  0.930
_exptl_absorpt_correction_T_min  0.640
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SCALEPACK; Otwinowski & Minor, 1997)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'parallelepipedic stick'
_exptl_crystal_F_000             358
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.254
_refine_diff_density_min         -0.481
_refine_ls_extinction_coef       0.058(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     234
_refine_ls_number_reflns         2689
_refine_ls_number_restraints     29
_refine_ls_restrained_S_all      1.099
_refine_ls_R_factor_all          0.0581
_refine_ls_R_factor_gt           0.0474
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0583P)²+0.3846P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1166
_refine_ls_wR_factor_ref         0.1259
_reflns_number_gt                2303
_reflns_number_total             2694
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bh2406.cif
_cod_data_source_block           I
_cod_database_code               2233363
_cod_database_fobs_code          2233363
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
_atom_site_symmetry_multiplicity
_atom_site_disorder_assembly
_atom_site_disorder_group
Co Co1 0.5000 0.0000 0.5000 0.0525(2) Uani d S 1 2 . .
O O1 0.5163(2) 0.1737(3) 0.4297(2) 0.0576(5) Uani d . 1 1 . .
O O2 -0.0155(3) -0.4955(3) 0.1901(3) 0.0811(7) Uani d . 1 1 . .
H H2O -0.0938 -0.5812 0.1814 0.122 Uiso calc R 1 1 . .
N N1 0.4113(3) 0.0896(3) 0.6449(2) 0.0568(6) Uani d . 1 1 . .
H H1N 0.4568 0.0862 0.7215 0.068 Uiso d R 1 1 . .
N N2 0.2647(3) -0.1449(3) 0.3863(2) 0.0568(6) Uani d . 1 1 . .
H H2N 0.2543 -0.2386 0.3935 0.068 Uiso d R 1 1 . .
C C1 0.4130(3) 0.2510(4) 0.4369(3) 0.0572(7) Uani d . 1 1 . .
C C2 0.3471(4) 0.2816(4) 0.3232(3) 0.0631(7) Uani d . 1 1 . .
H H2 0.3774 0.2503 0.2435 0.076 Uiso calc R 1 1 . .
C C3 0.2380(4) 0.3575(4) 0.3273(4) 0.0705(8) Uani d . 1 1 . .
H H3 0.1945 0.3762 0.2502 0.085 Uiso calc R 1 1 . .
C C4 0.1928(4) 0.4059(4) 0.4441(4) 0.0735(9) Uani d . 1 1 . .
H H4 0.1179 0.4561 0.4461 0.088 Uiso calc R 1 1 . .
C C5 0.2590(4) 0.3796(4) 0.5582(4) 0.0700(8) Uani d . 1 1 . .
H H5 0.2302 0.4149 0.6381 0.084 Uiso calc R 1 1 . .
C C6 0.3679(4) 0.3016(4) 0.5563(3) 0.0602(7) Uani d . 1 1 . .
C C7 0.4394(4) 0.2700(4) 0.6785(3) 0.0649(8) Uani d . 1 1 . .
H H7A 0.5575 0.3400 0.7142 0.078 Uiso calc R 1 1 . .
H H7B 0.3898 0.3029 0.7501 0.078 Uiso calc R 1 1 . .
C C8 0.2337(3) -0.0254(4) 0.6089(3) 0.0646(8) Uani d . 1 1 . .
H H8A 0.1770 0.0346 0.6580 0.077 Uiso calc R 1 1 . .
H H8B 0.2245 -0.1213 0.6358 0.077 Uiso calc R 1 1 . .
C C9 0.1554(3) -0.0863(4) 0.4564(3) 0.0632(8) Uani d . 1 1 . .
H H9A 0.0471 -0.1785 0.4286 0.076 Uiso calc R 1 1 . .
H H9B 0.1419 0.0050 0.4320 0.076 Uiso calc R 1 1 . .
C C10 0.2197(3) -0.1723(4) 0.2372(3) 0.0650(8) Uani d . 1 1 . .
H H10A 0.2601 -0.2527 0.1904 0.078 Uiso calc R 1 1 . .
H H10B 0.2779 -0.0659 0.2277 0.078 Uiso calc R 1 1 . .
C C11 0.0387(3) -0.2355(4) 0.1642(3) 0.0593(7) Uani d . 1 1 . .
C C12 -0.0188(4) -0.1310(4) 0.1179(3) 0.0673(8) Uani d . 1 1 . .
H H12 0.0539 -0.0202 0.1376 0.081 Uiso calc R 1 1 . .
C C13 -0.1816(4) -0.1876(5) 0.0434(3) 0.0698(8) Uani d . 1 1 . .
H H13 -0.2187 -0.1153 0.0138 0.084 Uiso calc R 1 1 . .
C C14 -0.2878(4) -0.3500(4) 0.0135(3) 0.0670(8) Uani d . 1 1 . .
H H14 -0.3973 -0.3893 -0.0388 0.080 Uiso calc R 1 1 . .
C C15 -0.2359(4) -0.4569(4) 0.0591(3) 0.0644(8) Uani d . 1 1 . .
H H15 -0.3095 -0.5679 0.0380 0.077 Uiso calc R 1 1 . .
C C16 -0.0727(4) -0.3981(4) 0.1370(3) 0.0602(7) Uani d . 1 1 . .
O O11 0.7320(11) 0.1846(10) 0.1338(9) 0.123(3) Uani d PDU 0.50 1 A 1
N N11 0.5877(7) 0.0882(8) 0.0550(6) 0.0742(14) Uani d PDU 0.50 1 . 1
O O12 0.5389(14) 0.1116(12) -0.0485(10) 0.104(3) Uani d PDU 0.50 1 . 1
O O13 0.5023(13) -0.0330(11) 0.0776(11) 0.097(3) Uani d PDU 0.50 1 . 1
O O21 0.7119(11) 0.2509(10) 0.2025(9) 0.111(3) Uani d PU 0.50 1 B 2
H H21O 0.6490 0.1443 0.2054 0.167 Uiso d PR 0.50 1 B 2
H H22O 0.6628 0.2429 0.1127 0.167 Uiso d PR 0.50 1 B 2
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'
Co Co 0.3494 0.9721 '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'
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 Co1 O1 2_656 . 180 yes
O1 Co1 N1 2_656 2_656 94.28(10) ?
O1 Co1 N1 . 2_656 85.72(10) yes
O1 Co1 N1 2_656 . 85.72(9) ?
O1 Co1 N1 . . 94.28(10) yes
N1 Co1 N1 2_656 . 180 yes
O1 Co1 N2 2_656 2_656 93.87(9) ?
O1 Co1 N2 . 2_656 86.13(9) ?
N1 Co1 N2 2_656 2_656 86.32(10) ?
N1 Co1 N2 . 2_656 93.68(9) ?
O1 Co1 N2 2_656 . 86.13(9) yes
O1 Co1 N2 . . 93.87(9) yes
N1 Co1 N2 2_656 . 93.68(9) yes
N1 Co1 N2 . . 86.32(10) yes
N2 Co1 N2 2_656 . 180 yes
C1 O1 Co1 . . 122.22(18) ?
C7 N1 C8 . . 113.1(2) ?
C7 N1 Co1 . . 114.85(19) ?
C8 N1 Co1 . . 108.49(18) ?
C9 N2 C10 . . 112.6(2) ?
C9 N2 Co1 . . 109.04(17) ?
C10 N2 Co1 . . 117.92(18) ?
O1 C1 C2 . . 119.8(3) ?
O1 C1 C6 . . 121.5(3) ?
C2 C1 C6 . . 118.6(3) ?
C3 C2 C1 . . 120.8(3) ?
C4 C3 C2 . . 120.5(3) ?
C3 C4 C5 . . 119.5(3) ?
C4 C5 C6 . . 121.2(3) ?
C5 C6 C1 . . 119.4(3) ?
C5 C6 C7 . . 122.0(3) ?
C1 C6 C7 . . 118.7(3) ?
N1 C7 C6 . . 112.3(2) ?
N1 C8 C9 . . 109.2(2) ?
N2 C9 C8 . . 108.0(2) ?
N2 C10 C11 . . 116.5(2) ?
C12 C11 C16 . . 118.2(3) ?
C12 C11 C10 . . 119.6(3) ?
C16 C11 C10 . . 122.1(3) ?
C13 C12 C11 . . 121.3(3) ?
C14 C13 C12 . . 119.4(3) ?
C13 C14 C15 . . 121.0(3) ?
C14 C15 C16 . . 119.4(3) ?
O2 C16 C11 . . 117.3(3) ?
O2 C16 C15 . . 122.2(3) ?
C11 C16 C15 . . 120.6(3) ?
O12 N11 O13 . . 120.6(8) ?
O12 N11 O11 . . 118.7(8) ?
O13 N11 O11 . . 120.6(8) ?
C16 O2 H2O . . 109.5 ?
C7 N1 H1N . . 104.3 ?
C8 N1 H1N . . 104.2 ?
Co1 N1 H1N . . 111.3 ?
C9 N2 H2N . . 107.1 ?
C10 N2 H2N . . 108.3 ?
Co1 N2 H2N . . 100.6 ?
C3 C2 H2 . . 119.6 ?
C1 C2 H2 . . 119.6 ?
C4 C3 H3 . . 119.8 ?
C2 C3 H3 . . 119.8 ?
C3 C4 H4 . . 120.3 ?
C5 C4 H4 . . 120.3 ?
C4 C5 H5 . . 119.4 ?
C6 C5 H5 . . 119.4 ?
N1 C7 H7A . . 109.1 ?
C6 C7 H7A . . 109.1 ?
N1 C7 H7B . . 109.1 ?
C6 C7 H7B . . 109.1 ?
H7A C7 H7B . . 107.9 ?
N1 C8 H8A . . 109.8 ?
C9 C8 H8A . . 109.8 ?
N1 C8 H8B . . 109.8 ?
C9 C8 H8B . . 109.8 ?
H8A C8 H8B . . 108.3 ?
N2 C9 H9A . . 110.1 ?
C8 C9 H9A . . 110.1 ?
N2 C9 H9B . . 110.1 ?
C8 C9 H9B . . 110.1 ?
H9A C9 H9B . . 108.4 ?
N2 C10 H10A . . 108.2 ?
C11 C10 H10A . . 108.2 ?
N2 C10 H10B . . 108.2 ?
C11 C10 H10B . . 108.2 ?
H10A C10 H10B . . 107.3 ?
C13 C12 H12 . . 119.3 ?
C11 C12 H12 . . 119.3 ?
C14 C13 H13 . . 120.3 ?
C12 C13 H13 . . 120.3 ?
C13 C14 H14 . . 119.5 ?
C15 C14 H14 . . 119.5 ?
C14 C15 H15 . . 120.3 ?
C16 C15 H15 . . 120.3 ?
H21O O21 H22O . . 104.1 ?
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
Co1 O1 2_656 1.896(2) n
Co1 O1 . 1.896(2) y
Co1 N1 2_656 1.950(2) n
Co1 N1 . 1.950(2) y
Co1 N2 2_656 1.997(2) n
Co1 N2 . 1.997(2) y
O1 C1 . 1.337(3) ?
O2 C16 . 1.358(4) ?
N1 C7 . 1.484(4) ?
N1 C8 . 1.488(4) ?
N2 C9 . 1.475(4) ?
N2 C10 . 1.490(4) ?
C1 C2 . 1.393(4) ?
C1 C6 . 1.397(4) ?
C2 C3 . 1.373(4) ?
C3 C4 . 1.370(5) ?
C4 C5 . 1.375(5) ?
C5 C6 . 1.385(4) ?
C6 C7 . 1.493(4) ?
C8 C9 . 1.502(4) ?
C10 C11 . 1.502(4) ?
C11 C12 . 1.381(4) ?
C11 C16 . 1.381(4) ?
C12 C13 . 1.375(4) ?
C13 C14 . 1.359(5) ?
C14 C15 . 1.371(5) ?
C15 C16 . 1.386(4) ?
O11 N11 . 1.259(9) ?
N11 O12 . 1.214(11) ?
N11 O13 . 1.222(9) ?
N11 O13 2_655 1.348(12) ?
N11 N11 2_655 1.728(12) ?
N11 O12 2_655 1.753(10) ?
O12 O13 2_655 0.627(11) ?
O12 N11 2_655 1.753(10) ?
O13 O12 2_655 0.627(11) ?
O13 N11 2_655 1.348(12) ?
O2 H2O . 0.8200 ?
N1 H1N . 0.8595 ?
N2 H2N . 0.8468 ?
C2 H2 . 0.9300 ?
C3 H3 . 0.9300 ?
C4 H4 . 0.9300 ?
C5 H5 . 0.9300 ?
C7 H7A . 0.9700 ?
C7 H7B . 0.9700 ?
C8 H8A . 0.9700 ?
C8 H8B . 0.9700 ?
C9 H9A . 0.9700 ?
C9 H9B . 0.9700 ?
C10 H10A . 0.9700 ?
C10 H10B . 0.9700 ?
C12 H12 . 0.9300 ?
C13 H13 . 0.9300 ?
C14 H14 . 0.9300 ?
C15 H15 . 0.9300 ?
O21 H21O . 0.9503 ?
O21 H22O . 0.9504 ?
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
O21 H21O O12 2_655 0.95 2.27 3.025(12) 135.8 yes
O21 H22O O13 2_655 0.95 2.18 2.922(13) 134.2 yes
O2 H2O O21 1_445 0.82 1.99 2.787(9) 165.4 yes
O2 H2O O11 1_445 0.82 2.01 2.823(9) 168.7 yes
N1 H1N O12 1_556 0.86 2.35 3.185(10) 165.3 yes
N1 H1N O13 2_656 0.86 2.31 3.145(11) 162.9 yes
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
N1 Co1 O1 C1 2_656 . 149.8(2)
N1 Co1 O1 C1 . . -30.2(2)
N2 Co1 O1 C1 2_656 . -123.6(2)
N2 Co1 O1 C1 . . 56.4(2)
O1 Co1 N1 C7 2_656 . 161.25(19)
O1 Co1 N1 C7 . . -18.75(19)
N2 Co1 N1 C7 2_656 . 67.64(19)
N2 Co1 N1 C7 . . -112.36(19)
O1 Co1 N1 C8 2_656 . -71.16(19)
O1 Co1 N1 C8 . . 108.84(19)
N2 Co1 N1 C8 2_656 . -164.77(19)
N2 Co1 N1 C8 . . 15.23(19)
O1 Co1 N2 C9 2_656 . 96.9(2)
O1 Co1 N2 C9 . . -83.1(2)
N1 Co1 N2 C9 2_656 . -169.1(2)
N1 Co1 N2 C9 . . 10.9(2)
O1 Co1 N2 C10 2_656 . -133.0(2)
O1 Co1 N2 C10 . . 47.0(2)
N1 Co1 N2 C10 2_656 . -39.0(2)
N1 Co1 N2 C10 . . 141.0(2)
Co1 O1 C1 C2 . . -136.5(2)
Co1 O1 C1 C6 . . 43.1(3)
O1 C1 C2 C3 . . 178.6(3)
C6 C1 C2 C3 . . -1.0(5)
C1 C2 C3 C4 . . 0.5(5)
C2 C3 C4 C5 . . 0.7(5)
C3 C4 C5 C6 . . -1.5(5)
C4 C5 C6 C1 . . 0.9(5)
C4 C5 C6 C7 . . -179.2(3)
O1 C1 C6 C5 . . -179.3(3)
C2 C1 C6 C5 . . 0.3(4)
O1 C1 C6 C7 . . 0.8(4)
C2 C1 C6 C7 . . -179.6(3)
C8 N1 C7 C6 . . -67.3(3)
Co1 N1 C7 C6 . . 57.9(3)
C5 C6 C7 N1 . . 126.1(3)
C1 C6 C7 N1 . . -54.0(4)
C7 N1 C8 C9 . . 90.2(3)
Co1 N1 C8 C9 . . -38.5(3)
C10 N2 C9 C8 . . -167.3(3)
Co1 N2 C9 C8 . . -34.4(3)
N1 C8 C9 N2 . . 48.1(3)
C9 N2 C10 C11 . . -33.9(4)
Co1 N2 C10 C11 . . -162.3(2)
N2 C10 C11 C12 . . 112.2(3)
N2 C10 C11 C16 . . -70.1(4)
C16 C11 C12 C13 . . -1.8(5)
C10 C11 C12 C13 . . 176.0(3)
C11 C12 C13 C14 . . -0.7(5)
C12 C13 C14 C15 . . 1.5(5)
C13 C14 C15 C16 . . 0.0(5)
C12 C11 C16 O2 . . -176.4(3)
C10 C11 C16 O2 . . 5.8(4)
C12 C11 C16 C15 . . 3.4(4)
C10 C11 C16 C15 . . -174.4(3)
C14 C15 C16 O2 . . 177.2(3)
C14 C15 C16 C11 . . -2.5(5)
O13 N11 O12 O13 . 2_655 -29(3)
O11 N11 O12 O13 . 2_655 147(2)
N11 N11 O12 O13 2_655 2_655 -18(2)
O12 N11 O12 O13 2_655 2_655 -18(2)
O13 N11 O12 N11 . 2_655 -10.6(13)
O11 N11 O12 N11 . 2_655 164.8(9)
O13 N11 O12 N11 2_655 2_655 18(2)
O12 N11 O12 N11 2_655 2_655 0.0
O12 N11 O13 O12 . 2_655 49(5)
O11 N11 O13 O12 . 2_655 -127(4)
O13 N11 O13 O12 2_655 2_655 36(4)
N11 N11 O13 O12 2_655 2_655 36(4)
O12 N11 O13 N11 . 2_655 12.9(16)
O11 N11 O13 N11 . 2_655 -162.4(9)
O13 N11 O13 N11 2_655 2_655 0.0
O12 N11 O13 N11 2_655 2_655 -36(4)
