#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/46/2204696.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_2204696
loop_
_publ_author_name
'Gao, Shan'
'Liu, Ji-Wei'
'Huo, Li-Hua'
'Zhao, Hui'
'Zhao, Jing-Gui'
_publ_section_title
Poly[[bis(1H-imidazole-κN³)cadmium(II)]-μ₃-benzene-1,3-dioxyacetato]
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1878
_journal_page_last               m1880
_journal_paper_doi               10.1107/S160053680402923X
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Cd (C10 H8 O6) (C3 H4 N2)2]'
_chemical_formula_moiety         'C16 H16 Cd N4 O6'
_chemical_formula_sum            'C16 H16 Cd N4 O6'
_chemical_formula_weight         472.74
_chemical_name_common
;
Poly[[bis(1H-imidazole-\kN³)cadmium(II)]-μ₃-benzene-1,3-dioxyacetato]
;
_chemical_name_systematic
;
poly[[bis(1H-imidazole-\kN³)cadmium(II)]-μ₃-m-phenylenebis(oxyacetato)]
;
_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
_cell_angle_alpha                108.46(3)
_cell_angle_beta                 111.04(3)
_cell_angle_gamma                95.46(3)
_cell_formula_units_Z            2
_cell_length_a                   9.4084(19)
_cell_length_b                   10.062(2)
_cell_length_c                   11.130(2)
_cell_measurement_reflns_used    6222
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.6
_cell_volume                     906.5(5)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection       'RAPID-AUTO (Rigaku Corporation, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_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  0.0250
_diffrn_reflns_av_sigmaI/netI    0.0219
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8787
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         3.1
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.246
_exptl_absorpt_correction_T_max  0.816
_exptl_absorpt_correction_T_min  0.649
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.732
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       prism
_exptl_crystal_F_000             472
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.79
_refine_diff_density_min         -0.59
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.08
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         4122
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.08
_refine_ls_R_factor_all          0.030
_refine_ls_R_factor_gt           0.029
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0402P)²+0.4978P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.070
_refine_ls_wR_factor_ref         0.071
_reflns_number_gt                3923
_reflns_number_total             4122
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hb6123.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 'Triclinic' changed to 'triclinic'
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_database_code               2204696
_cod_database_fobs_code          2204696
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_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_type_symbol
Cd1 0.564492(18) 0.399619(16) 0.633815(16) 0.03328(7) Uani d . 1 Cd
N1 0.6212(3) 0.2225(2) 0.4898(2) 0.0408(4) Uani d . 1 N
N2 0.6729(3) 0.0171(2) 0.4011(3) 0.0497(5) Uani d . 1 N
N3 0.6843(2) 0.3414(2) 0.8239(2) 0.0406(4) Uani d . 1 N
N4 0.8646(3) 0.3112(3) 0.9968(2) 0.0534(6) Uani d . 1 N
O1 0.3217(2) 0.26615(18) 0.62225(18) 0.0399(4) Uani d . 1 O
O2 0.3871(2) 0.50269(19) 0.7189(2) 0.0478(4) Uani d . 1 O
O3 0.0538(2) 0.2504(2) 0.6670(3) 0.0586(5) Uani d . 1 O
O4 -0.0044(2) -0.13626(19) 0.81726(18) 0.0450(4) Uani d . 1 O
O5 -0.1478(2) -0.4038(2) 0.7681(2) 0.0536(5) Uani d . 1 O
O6 -0.35877(19) -0.40128(18) 0.60028(18) 0.0406(4) Uani d . 1 O
C1 0.2941(3) 0.3840(2) 0.6765(3) 0.0370(5) Uani d . 1 C
C2 0.1374(4) 0.3868(3) 0.6866(4) 0.0578(8) Uani d . 1 C
C3 0.1089(3) 0.2005(3) 0.7722(3) 0.0452(6) Uani d . 1 C
C4 0.2301(4) 0.2760(3) 0.9003(3) 0.0525(7) Uani d . 1 C
C5 0.2722(4) 0.2104(3) 0.9967(3) 0.0563(7) Uani d . 1 C
C6 0.1932(3) 0.0732(3) 0.9684(3) 0.0491(6) Uani d . 1 C
C7 0.0691(3) -0.0004(3) 0.8392(3) 0.0392(5) Uani d . 1 C
C8 0.0279(3) 0.0612(3) 0.7405(3) 0.0415(5) Uani d . 1 C
C9 -0.1469(3) -0.2018(3) 0.6970(3) 0.0445(6) Uani d . 1 C
C10 -0.2201(3) -0.3459(2) 0.6907(2) 0.0337(4) Uani d . 1 C
C11 0.6555(3) 0.1057(3) 0.5086(3) 0.0430(5) Uani d . 1 C
C12 0.6481(5) 0.0797(4) 0.3055(4) 0.0639(9) Uani d . 1 C
C13 0.6175(4) 0.2075(3) 0.3617(3) 0.0582(8) Uani d . 1 C
C14 0.8350(3) 0.3511(3) 0.8882(3) 0.0479(6) Uani d . 1 C
C15 0.7273(4) 0.2761(4) 1.0043(3) 0.0597(8) Uani d . 1 C
C16 0.6159(3) 0.2931(4) 0.8973(3) 0.0540(7) Uani d . 1 C
H2B 0.1553 0.4557 0.7773 0.069 Uiso calc R 1 H
H2C 0.0730 0.4201 0.6173 0.069 Uiso calc R 1 H
H4 0.2829 0.3691 0.9221 0.063 Uiso calc R 1 H
H5 0.3557 0.2602 1.0826 0.068 Uiso calc R 1 H
H6 0.2225 0.0312 1.0343 0.059 Uiso calc R 1 H
H8 -0.0533 0.0102 0.6534 0.050 Uiso calc R 1 H
H9A -0.1271 -0.2156 0.6147 0.053 Uiso calc R 1 H
H9B -0.2190 -0.1391 0.6987 0.053 Uiso calc R 1 H
H11 0.6664 0.0872 0.5878 0.052 Uiso calc R 1 H
H12 0.6516 0.0420 0.2191 0.077 Uiso calc R 1 H
H13 0.5971 0.2747 0.3202 0.070 Uiso calc R 1 H
H14 0.9111 0.3818 0.8616 0.057 Uiso calc R 1 H
H15 0.7122 0.2459 1.0706 0.072 Uiso calc R 1 H
H16 0.5092 0.2749 0.8763 0.065 Uiso calc R 1 H
H17 0.6956 -0.0652 0.3929 0.060 Uiso calc R 1 H
H18 0.9550 0.3085 1.0518 0.064 Uiso calc R 1 H
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'
Cd Cd -0.8075 1.2024 '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 Cd1 N3 . . 94.28(8) yes
N1 Cd1 O1 . . 100.19(8) yes
N1 Cd1 O2 . . 151.85(8) yes
N1 Cd1 O5 . 1_665 99.27(8) yes
N1 Cd1 O6 . 1_665 104.64(8) yes
N1 Cd1 O6 . 2_556 83.11(7) yes
N3 Cd1 O1 . . 83.76(7) yes
N3 Cd1 O2 . . 93.42(8) yes
N3 Cd1 O5 . 1_665 78.37(7) yes
N3 Cd1 O6 . 2_556 162.59(7) yes
O1 Cd1 O5 . 1_665 154.42(6) yes
O1 Cd1 O6 . 2_556 79.79(6) yes
O2 Cd1 O1 . . 53.89(6) yes
O2 Cd1 O5 . 1_665 108.80(7) yes
O2 Cd1 O6 . 2_556 81.51(7) yes
O5 Cd1 O6 1_665 2_556 119.04(7) yes
O6 Cd1 N3 1_665 . 127.24(7) yes
O6 Cd1 O1 1_665 . 137.56(6) yes
O6 Cd1 O2 1_665 . 91.95(7) yes
O6 Cd1 O5 1_665 1_665 50.48(6) yes
O6 Cd1 O6 1_665 2_556 69.81(7) yes
Cd1 O6 Cd1 1_445 2_556 110.19(7) no
N1 C11 N2 . . 111.6(2) no
N1 C11 H11 . . 124.2 no
N1 C13 H13 . . 125.5 no
N2 C11 H11 . . 124.2 no
N2 C12 H12 . . 127.0 no
N3 C14 N4 . . 111.4(3) no
N3 C14 H14 . . 124.3 no
N3 C16 H16 . . 125.3 no
N4 C14 H14 . . 124.3 no
N4 C15 C16 . . 106.6(3) no
N4 C15 H15 . . 126.7 no
O1 C1 Cd1 . . 64.20(10) no
O1 C1 O2 . . 123.2(2) no
O1 C1 C2 . . 119.5(2) no
O2 C1 Cd1 . . 59.20(10) no
O2 C1 C2 . . 117.3(2) no
O3 C2 C1 . . 113.8(2) no
O3 C2 H2B . . 108.8 no
O3 C2 H2C . . 108.8 no
O3 C3 C4 . . 125.6(2) no
O3 C3 C8 . . 113.9(2) no
O4 C7 C6 . . 115.8(2) no
O4 C7 C8 . . 123.6(2) no
O4 C9 C10 . . 110.5(2) no
O4 C9 H9A . . 109.6 no
O4 C9 H9B . . 109.6 no
O5 C10 O6 . . 123.2(2) no
O5 C10 C9 . . 121.9(2) no
O6 C10 C9 . . 114.9(2) no
C1 O1 Cd1 . . 88.8(2) no
C1 O2 Cd1 . . 93.9(2) no
C1 C2 H2B . . 108.8 no
C1 C2 H2C . . 108.8 no
C2 C1 Cd1 . . 172.0(2) no
C3 O3 C2 . . 117.5(3) no
C3 C4 C5 . . 118.8(2) no
C3 C4 H4 . . 120.6 no
C3 C8 H8 . . 120.1 no
C4 C3 C8 . . 120.5(3) no
C4 C5 H5 . . 119.1 no
C5 C4 H4 . . 120.6 no
C5 C6 C7 . . 118.5(3) no
C5 C6 H6 . . 120.8 no
C6 C5 C4 . . 121.9(3) no
C6 C5 H5 . . 119.1 no
C7 O4 C9 . . 116.1(2) no
C7 C6 H6 . . 120.8 no
C7 C8 C3 . . 119.7(2) no
C7 C8 H8 . . 120.1 no
C8 C7 C6 . . 120.6(2) no
C10 O6 Cd1 . 1_445 105.10(10) no
C10 O6 Cd1 . 2_556 143.3(2) no
C10 C9 H9A . . 109.6 no
C10 C9 H9B . . 109.6 no
C11 N1 Cd1 . . 125.8(2) no
C11 N1 C13 . . 105.6(2) no
C11 N2 C12 . . 107.6(2) no
C11 N2 H17 . . 126.2 no
C12 N2 H17 . . 126.2 no
C12 C13 N1 . . 109.1(3) no
C12 C13 H13 . . 125.5 no
C13 N1 Cd1 . . 128.4(2) no
C13 C12 N2 . . 106.1(3) no
C13 C12 H12 . . 127.0 no
C14 N3 Cd1 . . 127.1(2) no
C14 N3 C16 . . 105.0(2) no
C14 N4 C15 . . 107.5(2) no
C14 N4 H18 . . 126.2 no
C15 N4 H18 . . 126.2 no
C15 C16 N3 . . 109.4(3) no
C15 C16 H16 . . 125.3 no
C16 N3 Cd1 . . 127.9(2) no
C16 C15 H15 . . 126.7 no
H2B C2 H2C . . 107.7 no
H9A C9 H9B . . 108.1 no
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
Cd1 N1 . 2.239(2) yes
Cd1 N3 . 2.299(2) yes
Cd1 O1 . 2.476(2) yes
Cd1 O2 . 2.367(2) yes
Cd1 O5 1_665 2.771(2) yes
Cd1 O6 1_665 2.251(2) yes
Cd1 O6 2_556 2.636(2) yes
C1 O1 . 1.248(3) yes
C1 O2 . 1.249(3) yes
C10 O5 . 1.232(3) yes
C10 O6 . 1.261(3) yes
N1 C11 . 1.308(3) no
N1 C13 . 1.373(3) no
N2 C11 . 1.321(3) no
N2 C12 . 1.363(4) no
N2 H17 . 0.8600 no
N3 C14 . 1.316(3) no
N3 C16 . 1.374(3) no
N4 C14 . 1.336(4) no
N4 C15 . 1.346(4) no
N4 H18 . 0.8600 no
O3 C2 . 1.425(3) no
O3 C3 . 1.370(4) no
O4 C7 . 1.376(3) no
O4 C9 . 1.417(3) no
O6 Cd1 1_445 2.251(2) no
O6 Cd1 2_556 2.636(2) no
C1 C2 . 1.521(4) no
C2 H2B . 0.9700 no
C2 H2C . 0.9700 no
C3 C4 . 1.375(4) no
C3 C8 . 1.401(3) no
C4 C5 . 1.391(5) no
C4 H4 . 0.9300 no
C5 C6 . 1.386(4) no
C5 H5 . 0.9300 no
C6 C7 . 1.391(4) no
C6 H6 . 0.9300 no
C7 C8 . 1.383(4) no
C8 H8 . 0.9300 no
C9 C10 . 1.514(3) no
C9 H9A . 0.9700 no
C9 H9B . 0.9700 no
C11 H11 . 0.9300 no
C12 C13 . 1.348(4) no
C12 H12 . 0.9300 no
C13 H13 . 0.9300 no
C14 H14 . 0.9300 no
C15 C16 . 1.347(4) no
C15 H15 . 0.9300 no
C16 H16 . 0.9300 no
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
N2 H17 O1 2_656 0.86 1.96 2.786(3) 160 yes
N4 H18 O4 2_657 0.86 2.57 3.148(3) 125 yes
N4 H18 O5 2_657 0.86 2.02 2.792(3) 149 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
_geom_torsion_publ_flag
Cd1 N1 C11 N2 . 175.7(2) no
Cd1 N1 C13 C12 . -175.2(2) no
Cd1 N3 C14 N4 . 178.7(2) no
Cd1 N3 C16 C15 . -177.9(2) no
Cd1 O1 C1 O2 . -5.1(2) no
Cd1 O1 C1 C2 . 172.0(2) no
Cd1 O2 C1 O1 . 5.3(3) no
Cd1 O2 C1 C2 . -171.8(2) no
Cd1 O6 C10 O5 1_445 5.5(3) no
Cd1 O6 C10 O5 2_556 -157.9(2) no
Cd1 O6 C10 C9 1_445 -175.0(2) no
Cd1 O6 C10 C9 2_556 21.7(4) no
N1 Cd1 N3 C14 . 66.5(2) no
N1 Cd1 N3 C16 . -115.5(3) no
N1 Cd1 O1 C1 . -165.10(10) no
N1 Cd1 O2 C1 . 23.2(2) no
N1 Cd1 C1 O1 . 18.23(17) no
N1 Cd1 C1 O2 . -166.70(10) no
N2 C12 C13 N1 . -0.8(4) no
N3 Cd1 N1 C11 . 21.2(2) no
N3 Cd1 N1 C13 . -163.6(3) no
N3 Cd1 O1 C1 . 101.6(2) no
N3 Cd1 O2 C1 . -82.5(2) no
N3 Cd1 C1 O1 . -76.8(2) no
N3 Cd1 C1 O2 . 98.2(2) no
O1 Cd1 N1 C11 . -63.3(2) no
O1 Cd1 N1 C13 . 112.0(3) no
O1 Cd1 N3 C14 . 166.3(2) no
O1 Cd1 N3 C16 . -15.7(2) no
O1 Cd1 O2 C1 . -2.80(10) no
O1 Cd1 C1 O2 . 175.0(2) no
O1 C1 C2 O3 . 16.5(4) no
O2 Cd1 N1 C11 . -84.3(3) no
O2 Cd1 N1 C13 . 90.9(3) no
O2 Cd1 N3 C14 . -140.6(2) no
O2 Cd1 N3 C16 . 37.4(3) no
O2 Cd1 O1 C1 . 2.78(13) no
O2 Cd1 C1 O1 . -175.0(2) no
O2 C1 C2 O3 . -166.3(3) no
O3 C3 C4 C5 . 179.8(3) no
O3 C3 C8 C7 . -178.3(2) no
O4 C7 C8 C3 . 179.7(2) no
O4 C9 C10 O5 . -11.5(4) no
O4 C9 C10 O6 . 168.9(2) no
O6 Cd1 N1 C11 1_665 151.5(2) no
O6 Cd1 N1 C11 2_556 -141.5(2) no
O6 Cd1 N1 C13 1_665 -33.3(3) no
O6 Cd1 N1 C13 2_556 33.7(3) no
O6 Cd1 N3 C14 1_665 -45.5(3) no
O6 Cd1 N3 C14 2_556 147.1(2) no
O6 Cd1 N3 C16 1_665 132.5(2) no
O6 Cd1 N3 C16 2_556 -34.9(4) no
O6 Cd1 O1 C1 1_665 -39.9(2) no
O6 Cd1 O1 C1 2_556 -84.10(10) no
O6 Cd1 O2 C1 1_665 150.0(2) no
O6 Cd1 O2 C1 2_556 80.7(2) no
O6 Cd1 C1 O1 1_665 151.50(10) no
O6 Cd1 C1 O1 2_556 90.60(10) no
O6 Cd1 C1 O2 1_665 -33.5(2) no
O6 Cd1 C1 O2 2_556 -94.4(2) no
C1 Cd1 N1 C11 . -71.6(2) no
C1 Cd1 N1 C13 . 103.7(3) no
C1 Cd1 N3 C14 . -167.3(2) no
C1 Cd1 N3 C16 . 10.7(2) no
C2 O3 C3 C4 . 5.9(4) no
C2 O3 C3 C8 . -175.2(2) no
C3 O3 C2 C1 . 72.9(4) no
C3 C4 C5 C6 . -1.5(5) no
C4 C3 C8 C7 . 0.7(4) no
C4 C5 C6 C7 . 0.4(5) no
C5 C6 C7 O4 . 179.9(3) no
C5 C6 C7 C8 . 1.3(4) no
C6 C7 C8 C3 . -1.9(4) no
C7 O4 C9 C10 . -176.3(2) no
C8 C3 C4 C5 . 1.0(4) no
C9 O4 C7 C6 . 169.3(2) no
C9 O4 C7 C8 . -12.2(4) no
C11 N2 C12 C13 . 0.6(4) no
C11 N1 C13 C12 . 0.8(4) no
C12 N2 C11 N1 . -0.1(4) no
C13 N1 C11 N2 . -0.4(3) no
C14 N3 C16 C15 . 0.5(4) no
C14 N4 C15 C16 . 1.1(4) no
C15 N4 C14 N3 . -0.9(4) no
C16 N3 C14 N4 . 0.3(3) no
