data_2300015
_journal_name_full  'Journal of Applied Crystallography'
_journal_year  2003
_journal_volume  36
_journal_page_first  1334
_journal_page_last  1341
_chemical_name_common  'biguanidinium bis-dinitramide'
_chemical_formula_sum  'C2 H9 N11 O8'
_chemical_formula_weight  315.20
_symmetry_cell_setting  'Monoclinic'
_symmetry_space_group_name_H-M  'C 2/c'
loop_
_symmetry_equiv_pos_as_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  11.7008(8)
_cell_length_b  8.1485(5)
_cell_length_c  13.0111(9)
_cell_angle_alpha  90.00
_cell_angle_beta  117.3370(10)
_cell_angle_gamma  90.00
_cell_volume  1101.99(13)
_cell_formula_units_Z  4
_cell_measurement_temperature  100.0(10)
_exptl_crystal_density_diffrn  1.900
_diffrn_ambient_temperature  100.0(10)
_refine_ls_R_factor_obs  0.0373
_refine_ls_wR_factor_obs  0.1045
loop_
_atom_site_label
_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_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  C1 0.42326(13) 0.4044(2) 0.29169(11) 0.0105(3) Uani d . 1 . C
  N1 0.5000 0.4759(2) 0.2500 0.0158(4) Uani d SD 1 . N
  N2 0.38989(12) 0.49894(14) 0.35584(10) 0.0127(3) Uani d D 1 . N
  N3 0.38288(11) 0.25232(14) 0.26722(10) 0.0133(3) Uani d D 1 . N
  N4 0.37460(11) 0.14779(15) 0.59951(10) 0.0119(3) Uani d . 1 . N
  N5 0.35492(12) -0.01705(14) 0.58687(10) 0.0127(3) Uani d . 1 . N
  N6 0.35870(11) -0.08789(14) 0.49067(9) 0.0124(3) Uani d . 1 . N
  O1 0.34419(12) -0.01201(13) 0.40409(9) 0.0201(3) Uani d . 1 . O
  O2 0.37104(10) -0.23821(12) 0.50058(9) 0.0150(3) Uani d . 1 . O
  O3 0.40940(10) 0.23540(12) 0.54146(9) 0.0169(3) Uani d . 1 . O
  O4 0.35771(10) 0.20299(13) 0.68120(9) 0.0174(3) Uani d . 1 . O
  H1 0.5000 0.5978(13) 0.2500 0.040(8) Uiso d SD 1 . H
  H2A 0.4305(18) 0.6065(15) 0.3852(16) 0.030(5) Uiso d D 1 . H
  H2B 0.3213(15) 0.465(2)  0.3749(17) 0.029(5) Uiso d D 1 . H
  H3A 0.3386(18) 0.205(2)  0.3089(16) 0.031(5) Uiso d D 1 . H
  H3B 0.3892(19) 0.189(2)  0.2062(13) 0.029(5) Uiso d D 1 . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  C1 0.0106(6) 0.0124(6) 0.0077(6) 0.0020(5) 0.0034(5) 0.0017(5)
  N1 0.0262(9) 0.0079(8) 0.0220(9) 0.000 0.0187(8) 0.000
  N2 0.0161(6) 0.0116(6) 0.0130(6) -0.0010(4) 0.0090(5) -0.0021(4)
  N3 0.0149(6) 0.0122(6) 0.0140(6) -0.0021(4) 0.0078(5) -0.0031(4)
  N4 0.0116(5) 0.0117(6) 0.0111(5) -0.0006(4) 0.0041(4) 0.0009(4)
  N5 0.0183(6) 0.0101(6) 0.0115(6) -0.0021(4) 0.0083(5) -0.0014(4)
  N6 0.0124(6) 0.0133(6) 0.0108(5) -0.0022(4) 0.0047(4) -0.0002(4)
  O1 0.0305(6) 0.0192(6) 0.0098(5) -0.0030(4) 0.0085(4) 0.0012(4)
  O2 0.0176(5) 0.0098(5) 0.0182(5) -0.0010(4) 0.0088(4) -0.0017(4)
  O3 0.0220(5) 0.0134(5) 0.0172(5) -0.0054(4) 0.0106(4) 0.0016(4)
  O4 0.0216(6) 0.0167(5) 0.0172(5) -0.0018(4) 0.0117(4) -0.0054(4)
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
  C1 N3 . 1.312(2) ?
  C1 N2 . 1.320(2) ?
  C1 N1 . 1.3736(15) ?
  N1 C1 2_655 1.3736(15) ?
  N4 O3 . 1.2362(15) ?
  N4 O4 . 1.2506(15) ?
  N4 N5 . 1.360(2) ?
  N5 N6 . 1.397(2) ?
  N6 O1 . 1.2266(15) ?
  N6 O2 . 1.233(2) ?