#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/20/4322058.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_4322058
loop_
_publ_author_name
'Ann J. Stemmler'
'Jeff W. Kampf'
'Martin L. Kirk'
'Bassel H. Atasi'
'Vincent L. Pecoraro'
_publ_section_title
;
 The Preparation, Characterization, and Magnetism of Copper
 15-Metallacrown-5 Lanthanide Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2807
_journal_page_last               2817
_journal_paper_doi               10.1021/ic9800233
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C10 H36 Cu5 Eu N12 O24.5'
_chemical_formula_weight         1186.17
_chemical_name_systematic
; 
 ? 
;
_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           SHELXL
_cell_angle_alpha                93.85(3)
_cell_angle_beta                 94.79(3)
_cell_angle_gamma                107.14(3)
_cell_formula_units_Z            2
_cell_length_a                   11.163(5)
_cell_length_b                   11.524(4)
_cell_length_c                   13.323(4)
_cell_measurement_reflns_used    40
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      12.25
_cell_measurement_theta_min      7.50
_cell_volume                     1624.5(11)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens XSCANS'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'Siemens SHELXTL'
_computing_structure_solution    'Siemens SHELXTL'
_diffrn_ambient_temperature      178(2)
_diffrn_measurement_device       'Siemns P4'
_diffrn_measurement_method       'omega scans'
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.1272
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6344
_diffrn_reflns_theta_max         26.03
_diffrn_reflns_theta_min         2.53
_diffrn_standards_decay_%        8.00
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.229
_exptl_absorpt_correction_T_max  0.855
_exptl_absorpt_correction_T_min  0.606
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.425
_exptl_crystal_description       plate
_exptl_crystal_F_000             1168
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_refine_diff_density_max         6.730
_refine_diff_density_min         -5.917
_refine_diff_density_rms         0.526
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.016
_refine_ls_goodness_of_fit_obs   1.114
_refine_ls_matrix_type           full
_refine_ls_number_parameters     479
_refine_ls_number_reflns         6291
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.016
_refine_ls_restrained_S_obs      1.114
_refine_ls_R_factor_all          0.1578
_refine_ls_R_factor_obs          0.1230
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2512P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.3277
_refine_ls_wR_factor_obs         0.2979
_reflns_number_observed          4437
_reflns_number_total             6344
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic9800233_3.cif
_cod_data_source_block           cugly
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.2512P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.2512P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1624.5(10)
_cod_original_formula_sum        'C10 H36 Cu5 Eu N12 O24.50'
_cod_database_code               4322058
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Eu1 Eu 0.15114(9) 0.30512(7) 0.25727(5) 0.0204(3) Uani 1 d . .
Cu1 Cu 0.0474(2) 0.5854(2) 0.34941(13) 0.0211(5) Uani 1 d . .
Cu2 Cu -0.0987(2) 0.3451(2) 0.04948(13) 0.0222(5) Uani 1 d . .
Cu3 Cu 0.1782(2) 0.1259(2) 0.00627(14) 0.0244(5) Uani 1 d . .
Cu4 Cu 0.4321(2) 0.1721(2) 0.30326(14) 0.0250(5) Uani 1 d . .
Cu5 Cu 0.3094(2) 0.4171(2) 0.53207(13) 0.0216(5) Uani 1 d . .
O1 O -0.0788(12) 0.6206(11) 0.2568(8) 0.023(3) Uani 1 d . .
O2 O 0.0254(10) 0.4442(10) 0.2541(7) 0.017(2) Uani 1 d U .
O3 O -0.1123(11) 0.2473(11) -0.0806(7) 0.022(3) Uani 1 d . .
O4 O 0.0459(13) 0.2933(11) 0.0827(8) 0.027(3) Uani 1 d . .
O5 O 0.2873(12) 0.0230(11) 0.0221(9) 0.029(3) Uani 1 d . .
O6 O 0.2303(12) 0.1791(11) 0.1456(8) 0.024(3) Uani 1 d . .
O7 O 0.5160(14) 0.2056(12) 0.4412(8) 0.033(3) Uani 1 d . .
O8 O 0.3539(12) 0.2964(11) 0.3414(7) 0.024(3) Uani 1 d . .
O9 O 0.2576(13) 0.5493(10) 0.5987(8) 0.025(3) Uani 1 d . .
O10 O 0.1910(12) 0.4229(10) 0.4216(8) 0.023(3) Uani 1 d . .
N1 N -0.2173(15) 0.4407(16) 0.0160(11) 0.034(4) Uani 1 d . .
H1A H -0.1992(15) 0.4759(16) -0.0415(11) 0.067(19) Uiso 1 calc R .
H1B H -0.2969(15) 0.3904(16) 0.0059(11) 0.067(19) Uiso 1 calc R .
N2 N -0.0628(14) 0.4488(12) 0.1735(9) 0.021(3) Uani 1 d . .
N3 N 0.1086(15) 0.0824(13) -0.1386(10) 0.027(3) Uani 1 d . .
H3A H 0.1656(15) 0.1233(13) -0.1777(10) 0.067(19) Uiso 1 calc R .
H3B H 0.0953(15) 0.0021(13) -0.1544(10) 0.067(19) Uiso 1 calc R .
N4 N 0.0510(15) 0.2073(13) 0.0068(9) 0.024(3) Uani 1 d . .
N5 N 0.4880(20) 0.0313(14) 0.2538(11) 0.041(5) Uani 1 d . .
H5A H 0.5728(20) 0.0535(14) 0.2616(11) 0.067(19) Uiso 1 calc R .
H5B H 0.4597(20) -0.0304(14) 0.2921(11) 0.067(19) Uiso 1 calc R .
N6 N 0.3218(16) 0.1238(14) 0.1799(10) 0.029(4) Uani 1 d . .
N7 N 0.4462(15) 0.4124(13) 0.6361(10) 0.027(3) Uani 1 d . .
H7A H 0.5023(15) 0.4872(13) 0.6489(10) 0.067(19) Uiso 1 calc R .
H7B H 0.4132(15) 0.3909(13) 0.6939(10) 0.067(19) Uiso 1 calc R .
N8 N 0.3881(13) 0.3307(13) 0.4456(8) 0.017(3) Uani 1 d U .
N9 N 0.0597(15) 0.7111(13) 0.4663(10) 0.027(3) Uani 1 d . .
H9A H 0.0913(15) 0.7865(13) 0.4471(10) 0.067(19) Uiso 1 calc R .
H9B H -0.0176(15) 0.7037(13) 0.4851(10) 0.067(19) Uiso 1 calc R .
N10 N 0.1477(14) 0.5254(13) 0.4409(9) 0.023(3) Uani 1 d . .
C1 C -0.1097(17) 0.5374(15) 0.1848(11) 0.021(3) Uani 1 d . .
C2 C -0.2066(19) 0.5342(18) 0.0981(12) 0.029(4) Uani 1 d . .
H2A H -0.2880(19) 0.5205(18) 0.1236(12) 0.067(19) Uiso 1 calc R .
H2B H -0.1851(19) 0.6132(18) 0.0716(12) 0.067(19) Uiso 1 calc R .
C3 C -0.0300(17) 0.1960(15) -0.0726(11) 0.022(4) Uani 1 d . .
C4 C -0.0085(21) 0.1104(17) -0.1605(12) 0.032(4) Uani 1 d . .
H4A H -0.0782(21) 0.0354(17) -0.1701(12) 0.067(19) Uiso 1 calc R .
H4B H -0.0065(21) 0.1498(17) -0.2227(12) 0.067(19) Uiso 1 calc R .
C5 C 0.3447(22) 0.0496(17) 0.1123(13) 0.034(5) Uani 1 d . .
C6 C 0.4432(18) -0.0124(16) 0.1471(12) 0.025(4) Uani 1 d . .
H6A H 0.4058(18) -0.1004(16) 0.1399(12) 0.067(19) Uiso 1 calc R .
H6B H 0.5131(18) 0.0079(16) 0.1062(12) 0.067(19) Uiso 1 calc R .
C7 C 0.4664(19) 0.2807(15) 0.4885(12) 0.027(4) Uani 1 d U .
C8 C 0.5124(20) 0.3230(20) 0.6012(11) 0.033(5) Uani 1 d . .
H8A H 0.4932(20) 0.2535(20) 0.6409(11) 0.067(19) Uiso 1 calc R .
H8B H 0.6029(20) 0.3615(20) 0.6097(11) 0.067(19) Uiso 1 calc R .
C9 C 0.1838(17) 0.5805(15) 0.5318(12) 0.021(3) Uani 1 d . .
C10 C 0.1446(19) 0.6924(15) 0.5547(12) 0.026(4) Uani 1 d . .
H10A H 0.2189(19) 0.7630(15) 0.5683(12) 0.067(19) Uiso 1 calc R .
H10B H 0.1003(19) 0.6840(15) 0.6146(12) 0.067(19) Uiso 1 calc R .
N11 N -0.0207(30) 0.1083(18) 0.3301(16) 0.077(9) Uani 1 d U .
O11 O -0.1094(25) 0.0182(14) 0.3605(13) 0.099(9) Uani 1 d U .
O12 O 0.0912(19) 0.1466(14) 0.3670(10) 0.061(6) Uani 1 d . .
O13 O -0.0510(13) 0.1607(12) 0.2519(10) 0.034(3) Uani 1 d . .
O14 O 0.2872(14) 0.4891(11) 0.2067(9) 0.032(3) Uani 1 d . .
O15 O 0.2237(14) 0.6969(12) 0.2596(9) 0.033(3) Uani 1 d . .
O16 O -0.2474(13) 0.1802(12) 0.1243(8) 0.029(3) Uani 1 d . .
N12 N 0.4243(19) 0.2777(17) -0.1121(11) 0.039(4) Uani 1 d . .
O17 O 0.3672(14) 0.2820(12) -0.0318(8) 0.034(3) Uani 1 d . .
O18 O 0.3555(16) 0.2501(18) -0.1960(11) 0.059(5) Uani 1 d . .
O19 O 0.5415(16) 0.3000(15) -0.1062(13) 0.049(4) Uani 1 d . .
O20 O 0.6117(12) 0.3064(11) 0.2338(8) 0.027(3) Uani 1 d . .
O21 O 0.1800(13) 0.2504(12) 0.6106(9) 0.030(3) Uani 1 d . .
O22 O 0.1803(15) -0.0182(13) 0.4556(10) 0.040(4) Uani 1 d . .
O23 O 0.4878(13) 0.4445(13) 0.1327(10) 0.034(3) Uani 1 d . .
O24 O 0.3573(14) -0.1179(12) 0.4075(10) 0.037(3) Uani 1 d . .
O25 O -0.3066(40) -0.0327(36) 0.2942(44) 0.098(18) Uani 0.50 d P .
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 '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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O13 Eu1 O14 150.6(5) . . ?
O13 Eu1 O12 54.0(5) . . ?
O14 Eu1 O12 154.2(5) . . ?
O13 Eu1 O6 94.5(4) . . ?
O14 Eu1 O6 92.5(4) . . ?
O12 Eu1 O6 91.6(6) . . ?
O13 Eu1 O2 81.3(4) . . ?
O14 Eu1 O2 75.4(4) . . ?
O12 Eu1 O2 115.4(6) . . ?
O6 Eu1 O2 141.1(3) . . ?
O13 Eu1 O10 106.5(4) . . ?
O14 Eu1 O10 83.2(4) . . ?
O12 Eu1 O10 78.8(4) . . ?
O6 Eu1 O10 144.4(4) . . ?
O2 Eu1 O10 71.8(3) . . ?
O13 Eu1 O8 128.3(4) . . ?
O14 Eu1 O8 81.0(4) . . ?
O12 Eu1 O8 75.9(5) . . ?
O6 Eu1 O8 72.7(4) . . ?
O2 Eu1 O8 138.4(3) . . ?
O10 Eu1 O8 71.7(4) . . ?
O13 Eu1 O4 73.6(5) . . ?
O14 Eu1 O4 81.9(4) . . ?
O12 Eu1 O4 123.4(4) . . ?
O6 Eu1 O4 71.1(4) . . ?
O2 Eu1 O4 70.6(3) . . ?
O10 Eu1 O4 142.0(4) . . ?
O8 Eu1 O4 139.0(4) . . ?
N10 Cu1 O2 89.9(5) . . ?
N10 Cu1 O1 170.0(6) . . ?
O2 Cu1 O1 84.9(5) . . ?
N10 Cu1 N9 84.1(5) . . ?
O2 Cu1 N9 169.9(5) . . ?
O1 Cu1 N9 99.8(5) . . ?
N10 Cu1 O15 95.1(6) . . ?
O2 Cu1 O15 88.3(5) . . ?
O1 Cu1 O15 93.3(5) . . ?
N9 Cu1 O15 100.3(6) . . ?
O4 Cu2 N2 90.6(5) . . ?
O4 Cu2 O3 84.3(5) . . ?
N2 Cu2 O3 172.5(6) . . ?
O4 Cu2 N1 165.4(6) . . ?
N2 Cu2 N1 82.6(6) . . ?
O3 Cu2 N1 101.1(5) . . ?
O4 Cu2 O16 95.7(5) . . ?
N2 Cu2 O16 91.9(5) . . ?
O3 Cu2 O16 94.0(4) . . ?
N1 Cu2 O16 97.3(6) . . ?
O6 Cu3 N4 90.6(5) . . ?
O6 Cu3 O5 85.4(5) . . ?
N4 Cu3 O5 169.1(6) . . ?
O6 Cu3 N3 172.8(6) . . ?
N4 Cu3 N3 82.2(6) . . ?
O5 Cu3 N3 101.7(6) . . ?
O6 Cu3 O17 87.6(5) . . ?
N4 Cu3 O17 104.5(6) . . ?
O5 Cu3 O17 85.5(5) . . ?
N3 Cu3 O17 93.7(5) . . ?
N6 Cu4 O8 91.1(5) . . ?
N6 Cu4 O7 169.0(7) . . ?
O8 Cu4 O7 85.8(5) . . ?
N6 Cu4 N5 81.8(7) . . ?
O8 Cu4 N5 171.7(7) . . ?
O7 Cu4 N5 100.5(6) . . ?
N6 Cu4 O20 97.4(6) . . ?
O8 Cu4 O20 96.9(5) . . ?
O7 Cu4 O20 93.4(5) . . ?
N5 Cu4 O20 88.2(6) . . ?
N8 Cu5 O10 90.8(5) . . ?
N8 Cu5 O9 161.8(6) . . ?
O10 Cu5 O9 84.8(5) . . ?
N8 Cu5 N7 84.0(6) . . ?
O10 Cu5 N7 173.8(6) . . ?
O9 Cu5 N7 99.1(5) . . ?
N8 Cu5 O21 99.9(5) . . ?
O10 Cu5 O21 99.2(5) . . ?
O9 Cu5 O21 98.2(5) . . ?
N7 Cu5 O21 85.1(5) . . ?
C1 O1 Cu1 107.1(10) . . ?
N2 O2 Cu1 107.3(8) . . ?
N2 O2 Eu1 125.6(8) . . ?
Cu1 O2 Eu1 126.4(5) . . ?
C3 O3 Cu2 106.6(9) . . ?
N4 O4 Cu2 108.6(9) . . ?
N4 O4 Eu1 122.0(9) . . ?
Cu2 O4 Eu1 124.9(5) . . ?
C5 O5 Cu3 107.2(11) . . ?
N6 O6 Cu3 108.6(8) . . ?
N6 O6 Eu1 122.4(8) . . ?
Cu3 O6 Eu1 128.9(6) . . ?
C7 O7 Cu4 106.2(10) . . ?
N8 O8 Cu4 107.4(8) . . ?
N8 O8 Eu1 121.3(9) . . ?
Cu4 O8 Eu1 123.4(5) . . ?
C9 O9 Cu5 107.0(9) . . ?
N10 O10 Cu5 109.3(8) . . ?
N10 O10 Eu1 122.8(8) . . ?
Cu5 O10 Eu1 126.7(5) . . ?
C2 N1 Cu2 110.0(11) . . ?
C1 N2 O2 114.5(13) . . ?
C1 N2 Cu2 121.0(11) . . ?
O2 N2 Cu2 124.1(9) . . ?
C4 N3 Cu3 112.4(10) . . ?
C3 N4 O4 114.0(14) . . ?
C3 N4 Cu3 121.0(12) . . ?
O4 N4 Cu3 124.5(10) . . ?
C6 N5 Cu4 113.4(12) . . ?
C5 N6 O6 114.4(14) . . ?
C5 N6 Cu4 118.6(14) . . ?
O6 N6 Cu4 125.8(10) . . ?
C8 N7 Cu5 111.2(10) . . ?
C7 N8 O8 115.4(13) . . ?
C7 N8 Cu5 117.1(11) . . ?
O8 N8 Cu5 126.5(10) . . ?
C10 N9 Cu1 109.6(10) . . ?
C9 N10 O10 113.9(13) . . ?
C9 N10 Cu1 119.5(12) . . ?
O10 N10 Cu1 126.5(9) . . ?
O1 C1 N2 126.0(16) . . ?
O1 C1 C2 122.2(15) . . ?
N2 C1 C2 111.8(15) . . ?
N1 C2 C1 114.1(16) . . ?
O3 C3 N4 125.8(15) . . ?
O3 C3 C4 122.6(14) . . ?
N4 C3 C4 111.6(16) . . ?
N3 C4 C3 111.0(15) . . ?
O5 C5 N6 124.1(19) . . ?
O5 C5 C6 120.1(15) . . ?
N6 C5 C6 115.8(16) . . ?
N5 C6 C5 107.9(14) . . ?
N8 C7 O7 124.7(14) . . ?
N8 C7 C8 116.5(14) . . ?
O7 C7 C8 118.6(14) . . ?
N7 C8 C7 108.2(13) . . ?
O9 C9 N10 124.1(15) . . ?
O9 C9 C10 119.7(14) . . ?
N10 C9 C10 116.0(15) . . ?
C9 C10 N9 110.6(13) . . ?
O12 N11 O13 116.0(19) . . ?
O12 N11 O11 126.1(26) . . ?
O13 N11 O11 117.8(28) . . ?
N11 O12 Eu1 95.3(13) . . ?
N11 O13 Eu1 94.5(15) . . ?
O19 N12 O18 122.3(17) . . ?
O19 N12 O17 121.1(16) . . ?
O18 N12 O17 116.6(18) . . ?
N12 O17 Cu3 125.3(12) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O13 2.369(13) . ?
Eu1 O14 2.392(13) . ?
Eu1 O12 2.392(15) . ?
Eu1 O6 2.406(11) . ?
Eu1 O2 2.422(11) . ?
Eu1 O10 2.433(10) . ?
Eu1 O8 2.473(12) . ?
Eu1 O4 2.493(11) . ?
Cu1 N10 1.886(14) . ?
Cu1 O2 1.938(10) . ?
Cu1 O1 1.946(11) . ?
Cu1 N9 2.022(13) . ?
Cu1 O15 2.463(14) . ?
Cu2 O4 1.909(13) . ?
Cu2 N2 1.913(13) . ?
Cu2 O3 1.972(10) . ?
Cu2 N1 2.00(2) . ?
Cu2 O16 2.456(14) . ?
Cu3 O6 1.901(11) . ?
Cu3 N4 1.92(2) . ?
Cu3 O5 1.944(14) . ?
Cu3 N3 1.993(14) . ?
Cu3 O17 2.452(14) . ?
Cu4 N6 1.914(14) . ?
Cu4 O8 1.946(11) . ?
Cu4 O7 1.951(12) . ?
Cu4 N5 1.99(2) . ?
Cu4 O20 2.438(13) . ?
Cu5 N8 1.903(13) . ?
Cu5 O10 1.913(11) . ?
Cu5 O9 1.967(11) . ?
Cu5 N7 1.99(2) . ?
Cu5 O21 2.400(13) . ?
O1 C1 1.26(2) . ?
O2 N2 1.41(2) . ?
O3 C3 1.23(2) . ?
O4 N4 1.38(2) . ?
O5 C5 1.29(2) . ?
O6 N6 1.42(2) . ?
O7 C7 1.31(2) . ?
O8 N8 1.407(14) . ?
O9 C9 1.30(2) . ?
O10 N10 1.42(2) . ?
N1 C2 1.45(2) . ?
N2 C1 1.28(2) . ?
N3 C4 1.45(3) . ?
N4 C3 1.31(2) . ?
N5 C6 1.47(2) . ?
N6 C5 1.29(2) . ?
N7 C8 1.50(2) . ?
N8 C7 1.30(2) . ?
N9 C10 1.52(2) . ?
N10 C9 1.30(2) . ?
C1 C2 1.51(2) . ?
C3 C4 1.56(2) . ?
C5 C6 1.54(3) . ?
C7 C8 1.54(2) . ?
C9 C10 1.50(2) . ?
N11 O12 1.24(3) . ?
N11 O13 1.31(3) . ?
N11 O11 1.32(3) . ?
N12 O19 1.25(2) . ?
N12 O18 1.27(2) . ?
N12 O17 1.30(2) . ?
