##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.19 svn.r3143 for OlexSys, GUI svn.r4992)
;
_journal_date_recd_electronic     2015-10-14
_journal_date_accepted     2015-10-24
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2015
_journal_volume     71
_journal_issue     11
_journal_page_first     1408
_journal_page_last     1410
_journal_paper_category     GM
_journal_paper_doi     10.1107/S2056989015020113
_journal_coeditor_code     WM5230
_publ_contact_author_name     'Justin Nenwa'
_publ_contact_author_address
;
Department of Inorganic Chemistry, University of Yaounde 1, POB 812 Yaounde,
Cameroon
;
_publ_contact_author_email     jnenwa@yahoo.fr
_publ_contact_author_fax     ?
_publ_contact_author_phone     ?
_publ_section_title
;
Crystal structure of tris[4-(dimethylamino)pyridinium]
tris(oxalato-κ²O,O')chromate(III) tetrahydrate
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Makon ma Houga, Noé' .
;
Department of Inorganic Chemistry, University of Yaounde 1, POB 812 Yaounde,
Cameroon
;
    'Capet, Frédéric' .
;
Unité de Catalyse et de Chimie du Solide, UMR 8181,
Ecole Nationale Supérieure de Chimie de Lille,
Université Lille1, 59650 Villeneuve d'Ascq Cedex,
France
;
    'Nenwa, Justin' .
;
Department of Inorganic Chemistry, University of Yaounde 1, POB 812 Yaounde,
Cameroon
;
    'Bebga, Gouet' .
;
Higher Teacher Training College, Chemistry Department, University of Yaounde 1,
POB 47, Yaounde,
Cameroon
;
    'Foulon, Michel' .
;
UFR de Physique,
Université Lille1, 59650 Villeneuve d'Ascq Cedex,
France
;
_publ_section_synopsis
;
In the crystal structure of the title compound, the molecular components,
viz. 4-(dimethylamino)pyridinium cations, tris[oxalatochromate(III)]
anions and lattice water molecules, are linked through O---H...O and N---H...O
hydrogen bonds into a three-dimensional network. Additional π--π
interactions between pyridinium rings stabilize this arrangement.
;
_database_code_depnum_ccdc_archive     'CCDC 1400490'
_chemical_name_systematic
;
Tris[4-(dimethylamino)pyridinium]
tris(oxalato-κ²O,O')chromate(III) tetrahydrate
;
_chemical_name_common     ?
_chemical_formula_moiety     '3(C7 H11 N2 +), C6 Cr O12 3-, 4(H2 O)'
_chemical_formula_sum     'C27 H41 Cr N6 O16'
_chemical_formula_iupac     '(C7 H11 N2)3 [Cr (C3 O4)3], 4H2 O'
_chemical_formula_weight     757.66
_chemical_melting_point     ?
_shelx_space_group_comment
;
The symmetry employed for this Nasr refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'C 2/c'
_space_group_name_Hall     '-C 2yc'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y, -z+1/2'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y, z-1/2'
    '-x+1/2, -y+1/2, -z'
    'x+1/2, -y+1/2, z-1/2'
_cell_length_a     19.1141(5)
_cell_length_b     16.7537(4)
_cell_length_c     11.0053(2)
_cell_angle_alpha     90
_cell_angle_beta     98.8030(10)
_cell_angle_gamma     90
_cell_volume     3482.73(14)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     9987
_cell_measurement_theta_min     2.35
_cell_measurement_theta_max     27.82
_cell_measurement_temperature     296(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     violet
_exptl_crystal_size_max     0.58
_exptl_crystal_size_mid     0.21
_exptl_crystal_size_min     0.14
_exptl_crystal_density_diffrn     1.445
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     1588
_exptl_absorpt_coefficient_mu     0.408
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(SADABS; Krause et al., 2015)
;
_shelx_estimated_absorpt_T_min     0.798
_shelx_estimated_absorpt_T_max     0.945
_exptl_absorpt_correction_T_min     0.7078
_exptl_absorpt_correction_T_max     0.7461
_diffrn_ambient_temperature     296.15
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type     'Bruker APEXII CCD'
_diffrn_measurement_method     'φ and ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     56955
_diffrn_reflns_av_R_equivalents     0.0379
_diffrn_reflns_theta_min     2.601
_diffrn_reflns_theta_max     30.509
_diffrn_reflns_theta_full     26.000
_diffrn_measured_fraction_theta_max     0.997
_diffrn_measured_fraction_theta_full     0.999
_diffrn_reflns_limit_h_min     -27
_diffrn_reflns_limit_h_max     27
_diffrn_reflns_limit_k_min     -23
_diffrn_reflns_limit_k_max     23
_diffrn_reflns_limit_l_min     -15
_diffrn_reflns_limit_l_max     15
_diffrn_standards_number     0
_refine_special_details     ?
_reflns_number_total     5322
_reflns_number_gt     3757
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0605
_refine_ls_R_factor_gt     0.0380
_refine_ls_wR_factor_gt     0.1039
_refine_ls_wR_factor_ref     0.1200
_refine_ls_goodness_of_fit_ref     1.027
_refine_ls_restrained_S_all     1.027
_refine_ls_number_reflns     5322
_refine_ls_number_parameters     249
_refine_ls_number_restraints     6
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0560P)²+1.5540P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.233
_refine_diff_density_min     -0.419
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
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'
    'Cr' 'Cr' 0.3209 0.6236
                         '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'
_computing_data_collection
;
SAINT (Bruker, 2014)
;
_computing_cell_refinement
;
APEX2 (Bruker, 2014)
;
_computing_data_reduction
;
SAINT (Bruker, 2014)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov et al.,  2009), publCIF (Westrip,
2010) and PLATON (Spek,
2009)
;
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_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Cr Cr1 0.5000 0.25122(2) 0.2500 0.04246(11) Uani d 1 . .
    O O2 0.44865(6) 0.33279(7) 0.32829(9) 0.0502(3) Uani d 1 . .
    O O1 0.41659(6) 0.25871(7) 0.12056(10) 0.0521(3) Uani d 1 . .
    O O5 0.45866(6) 0.16208(7) 0.33354(10) 0.0522(3) Uani d 1 . .
    O O7W 0.82663(8) 0.36686(8) 0.49953(15) 0.0698(4) Uani d 1 . .
    O O6 0.45686(8) 0.02935(8) 0.34038(13) 0.0695(4) Uani d 1 . .
    O O3 0.35256(8) 0.40942(8) 0.29279(12) 0.0714(4) Uani d 1 . .
    N N2 0.28924(8) 0.40160(8) 0.65828(12) 0.0507(3) Uani d 1 . .
    O O8W 0.87475(9) 0.52183(8) 0.53015(16) 0.0762(4) Uani d 1 . .
    N N1 0.33363(7) 0.16521(9) 0.60672(13) 0.0499(3) Uani d 1 . .
    O O4 0.31735(7) 0.32756(9) 0.06984(14) 0.0767(4) Uani d 1 . .
    N N3 0.5000 0.87873(15) 0.2500 0.0615(5) Uani d 1 . .
    C C6 0.30440(7) 0.32468(9) 0.64377(12) 0.0405(3) Uani d 1 . .
    N N4 0.5000 0.63400(15) 0.2500 0.0730(7) Uani d 1 . .
    C C1 0.39125(9) 0.35760(9) 0.26335(14) 0.0475(3) Uani d 1 . .
    C C7 0.34073(8) 0.29953(10) 0.54716(12) 0.0442(3) Uani d 1 . .
    H H7 0.3556 0.3370 0.4943 0.053 Uiso calc 1 . .
    C C2 0.37147(9) 0.31285(10) 0.13931(15) 0.0496(4) Uani d 1 . .
    C C5 0.28590(9) 0.26379(10) 0.72219(14) 0.0483(4) Uani d 1 . .
    H H5 0.2636 0.2770 0.7888 0.058 Uiso calc 1 . .
    C C3 0.47543(8) 0.09271(10) 0.30033(14) 0.0486(4) Uani d 1 . .
    C C4 0.30043(9) 0.18699(11) 0.70089(14) 0.0521(4) Uani d 1 . .
    H H4 0.2872 0.1478 0.7527 0.063 Uiso calc 1 . .
    C C12 0.5000 0.71391(15) 0.2500 0.0505(5) Uani d 1 . .
    C C8 0.35377(8) 0.22127(10) 0.53192(14) 0.0476(3) Uani d 1 . .
    H H8 0.3773 0.2057 0.4679 0.057 Uiso calc 1 . .
    C C10 0.30788(12) 0.46256(11) 0.57456(17) 0.0626(5) Uani d 1 . .
    H H10A 0.3583 0.4633 0.5769 0.094 Uiso calc 1 . .
    H H10B 0.2924 0.5138 0.5991 0.094 Uiso calc 1 . .
    H H10C 0.2853 0.4508 0.4925 0.094 Uiso calc 1 . .
    C C13 0.47586(10) 0.75888(12) 0.34435(16) 0.0563(4) Uani d 1 . .
    H H13 0.4593 0.7330 0.4091 0.068 Uiso calc 1 . .
    C C14 0.47685(9) 0.83913(12) 0.34033(17) 0.0608(4) Uani d 1 . .
    H H14 0.4608 0.8678 0.4030 0.073 Uiso calc 1 . .
    C C9 0.25007(13) 0.42746(13) 0.75514(19) 0.0741(6) Uani d 1 . .
    H H9A 0.2037 0.4041 0.7419 0.111 Uiso calc 1 . .
    H H9B 0.2460 0.4846 0.7537 0.111 Uiso calc 1 . .
    H H9C 0.2748 0.4108 0.8336 0.111 Uiso calc 1 . .
    C C11 0.47408(17) 0.58935(16) 0.3474(3) 0.1074(10) Uani d 1 . .
    H H11A 0.5028 0.6012 0.4247 0.161 Uiso calc 1 . .
    H H11B 0.4764 0.5332 0.3310 0.161 Uiso calc 1 . .
    H H11C 0.4259 0.6041 0.3509 0.161 Uiso calc 1 . .
    H H3 0.5000 0.934(2) 0.2500 0.091(11) Uiso d 1 . .
    H H7WA 0.7843(7) 0.3544(19) 0.481(3) 0.136 Uiso d 1 . .
    H H8WA 0.8595(16) 0.4767(9) 0.528(3) 0.136 Uiso d 1 . .
    H H8WB 0.8988(14) 0.5268(17) 0.475(2) 0.136 Uiso d 1 . .
    H H7WB 0.8432(14) 0.3280(13) 0.540(3) 0.136 Uiso d 1 . .
    H H1 0.3406(11) 0.1122(13) 0.5955(18) 0.068(6) Uiso d 1 . .
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
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
    Cr1 O2 2_655 1.9577(11) ?
    Cr1 O2 . 1.9577(11) ?
    Cr1 O1 2_655 1.9728(12) ?
    Cr1 O1 . 1.9728(12) ?
    Cr1 O5 2_655 1.9804(11) ?
    Cr1 O5 . 1.9804(11) ?
    O2 C1 . 1.2834(19) ?
    O1 C2 . 1.290(2) ?
    O5 C3 . 1.274(2) ?
    O7W H7WA . 0.830(10) ?
    O7W H7WB . 0.822(10) ?
    O6 C3 . 1.223(2) ?
    O3 C1 . 1.2162(19) ?
    N2 C6 . 1.336(2) ?
    N2 C10 . 1.456(2) ?
    N2 C9 . 1.459(2) ?
    O8W H8WA . 0.810(10) ?
    O8W H8WB . 0.818(10) ?
    N1 C4 . 1.346(2) ?
    N1 C8 . 1.343(2) ?
    N1 H1 . 0.91(2) ?
    O4 C2 . 1.214(2) ?
    N3 C14 2_655 1.326(2) ?
    N3 C14 . 1.326(2) ?
    N3 H3 . 0.92(4) ?
    C6 C7 . 1.4200(19) ?
    C6 C5 . 1.416(2) ?
    N4 C12 . 1.339(3) ?
    N4 C11 . 1.455(3) ?
    N4 C11 2_655 1.455(3) ?
    C1 C2 . 1.553(2) ?
    C7 H7 . 0.9300 ?
    C7 C8 . 1.350(2) ?
    C5 H5 . 0.9300 ?
    C5 C4 . 1.344(2) ?
    C3 C3 2_655 1.558(3) ?
    C4 H4 . 0.9300 ?
    C12 C13 2_655 1.416(2) ?
    C12 C13 . 1.416(2) ?
    C8 H8 . 0.9300 ?
    C10 H10A . 0.9600 ?
    C10 H10B . 0.9600 ?
    C10 H10C . 0.9600 ?
    C13 H13 . 0.9300 ?
    C13 C14 . 1.345(3) ?
    C14 H14 . 0.9300 ?
    C9 H9A . 0.9600 ?
    C9 H9B . 0.9600 ?
    C9 H9C . 0.9600 ?
    C11 H11A . 0.9600 ?
    C11 H11B . 0.9600 ?
    C11 H11C . 0.9600 ?
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
    O2 Cr1 O2 2_655 . 91.45(7) ?
    O2 Cr1 O1 . . 82.48(5) ?
    O2 Cr1 O1 . 2_655 92.41(5) ?
    O2 Cr1 O1 2_655 . 92.41(5) ?
    O2 Cr1 O1 2_655 2_655 82.47(5) ?
    O2 Cr1 O5 . 2_655 173.35(5) ?
    O2 Cr1 O5 . . 93.41(5) ?
    O2 Cr1 O5 2_655 . 173.35(5) ?
    O2 Cr1 O5 2_655 2_655 93.41(5) ?
    O1 Cr1 O1 . 2_655 172.70(7) ?
    O1 Cr1 O5 . 2_655 92.78(5) ?
    O1 Cr1 O5 2_655 . 92.79(5) ?
    O1 Cr1 O5 . . 92.72(5) ?
    O1 Cr1 O5 2_655 2_655 92.72(5) ?
    O5 Cr1 O5 2_655 . 82.11(6) ?
    C1 O2 Cr1 . . 115.12(10) ?
    C2 O1 Cr1 . . 114.55(10) ?
    C3 O5 Cr1 . . 114.77(9) ?
    H7WA O7W H7WB . . 102(2) ?
    C6 N2 C10 . . 121.50(13) ?
    C6 N2 C9 . . 121.25(15) ?
    C10 N2 C9 . . 117.18(15) ?
    H8WA O8W H8WB . . 108(2) ?
    C4 N1 H1 . . 117.7(13) ?
    C8 N1 C4 . . 119.70(15) ?
    C8 N1 H1 . . 122.5(13) ?
    C14 N3 C14 . 2_655 120.0(3) ?
    C14 N3 H3 2_655 . 120.02(13) ?
    C14 N3 H3 . . 120.01(13) ?
    N2 C6 C7 . . 121.05(14) ?
    N2 C6 C5 . . 122.92(13) ?
    C5 C6 C7 . . 116.04(14) ?
    C12 N4 C11 . 2_655 120.94(15) ?
    C12 N4 C11 . . 120.93(15) ?
    C11 N4 C11 2_655 . 118.1(3) ?
    O2 C1 C2 . . 113.93(13) ?
    O3 C1 O2 . . 125.85(16) ?
    O3 C1 C2 . . 120.19(15) ?
    C6 C7 H7 . . 119.9 ?
    C8 C7 C6 . . 120.14(14) ?
    C8 C7 H7 . . 119.9 ?
    O1 C2 C1 . . 113.67(13) ?
    O4 C2 O1 . . 124.63(17) ?
    O4 C2 C1 . . 121.68(16) ?
    C6 C5 H5 . . 119.8 ?
    C4 C5 C6 . . 120.39(15) ?
    C4 C5 H5 . . 119.8 ?
    O5 C3 C3 . 2_655 114.17(8) ?
    O6 C3 O5 . . 126.08(14) ?
    O6 C3 C3 . 2_655 119.75(9) ?
    N1 C4 H4 . . 119.1 ?
    C5 C4 N1 . . 121.88(15) ?
    C5 C4 H4 . . 119.1 ?
    N4 C12 C13 . . 122.15(11) ?
    N4 C12 C13 . 2_655 122.15(11) ?
    C13 C12 C13 . 2_655 115.7(2) ?
    N1 C8 C7 . . 121.82(14) ?
    N1 C8 H8 . . 119.1 ?
    C7 C8 H8 . . 119.1 ?
    N2 C10 H10A . . 109.5 ?
    N2 C10 H10B . . 109.5 ?
    N2 C10 H10C . . 109.5 ?
    H10A C10 H10B . . 109.5 ?
    H10A C10 H10C . . 109.5 ?
    H10B C10 H10C . . 109.5 ?
    C12 C13 H13 . . 120.0 ?
    C14 C13 C12 . . 119.98(17) ?
    C14 C13 H13 . . 120.0 ?
    N3 C14 C13 . . 122.18(19) ?
    N3 C14 H14 . . 118.9 ?
    C13 C14 H14 . . 118.9 ?
    N2 C9 H9A . . 109.5 ?
    N2 C9 H9B . . 109.5 ?
    N2 C9 H9C . . 109.5 ?
    H9A C9 H9B . . 109.5 ?
    H9A C9 H9C . . 109.5 ?
    H9B C9 H9C . . 109.5 ?
    N4 C11 H11A . . 109.5 ?
    N4 C11 H11B . . 109.5 ?
    N4 C11 H11C . . 109.5 ?
    H11A C11 H11B . . 109.5 ?
    H11A C11 H11C . . 109.5 ?
    H11B C11 H11C . . 109.5 ?
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_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    Cr1 O2 C1 O3 . . . . -177.75(14) ?
    Cr1 O2 C1 C2 . . . . 4.37(16) ?
    Cr1 O1 C2 O4 . . . . 178.94(14) ?
    Cr1 O1 C2 C1 . . . . -2.76(16) ?
    Cr1 O5 C3 O6 . . . . 179.09(15) ?
    Cr1 O5 C3 C3 . . . 2_655 -0.6(2) ?
    O2 C1 C2 O1 . . . . -1.05(19) ?
    O2 C1 C2 O4 . . . . 177.30(15) ?
    O3 C1 C2 O1 . . . . -179.06(15) ?
    O3 C1 C2 O4 . . . . -0.7(2) ?
    N2 C6 C7 C8 . . . . -178.10(14) ?
    N2 C6 C5 C4 . . . . 177.81(15) ?
    C6 C7 C8 N1 . . . . -0.4(2) ?
    C6 C5 C4 N1 . . . . 1.0(3) ?
    N4 C12 C13 C14 . . . . -179.98(12) ?
    C7 C6 C5 C4 . . . . -2.3(2) ?
    C5 C6 C7 C8 . . . . 2.0(2) ?
    C4 N1 C8 C7 . . . . -1.0(2) ?
    C12 C13 C14 N3 . . . . -0.1(3) ?
    C8 N1 C4 C5 . . . . 0.7(2) ?
    C10 N2 C6 C7 . . . . 1.3(2) ?
    C10 N2 C6 C5 . . . . -178.85(16) ?
    C13 C12 C13 C14 2_655 . . . 0.02(12) ?
    C14 N3 C14 C13 2_655 . . . 0.03(13) ?
    C9 N2 C6 C7 . . . . 178.16(16) ?
    C9 N2 C6 C5 . . . . -2.0(3) ?
    C11 N4 C12 C13 2_655 . . . -179.27(16) ?
    C11 N4 C12 C13 2_655 . . 2_655 0.74(16) ?
    C11 N4 C12 C13 . . . 2_655 -179.26(16) ?
    C11 N4 C12 C13 . . . . 0.74(16) ?
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
    N1 H1 O8W 3_445 0.91(2) 1.84(2) 2.702(2) 157.8(19)
    N3 H3 O6 2_665 0.92(4) 2.12(3) 2.879(3) 139.2(6)
    N3 H3 O6 1_565 0.92(4) 2.12(3) 2.879(3) 139.2(6)
    O7W H7WA O4 2_655 0.830(10) 1.990(10) 2.819(2) 178(3)
    O7W H7WB O1 8_556 0.822(10) 2.119(13) 2.9079(19) 161(3)
    O8W H8WA O7W . 0.810(10) 1.953(11) 2.7578(19) 172(3)
    O8W H8WB O6 3 0.818(10) 1.985(10) 2.8007(19) 175(3)
