data_global
_amcsd_formula_title 'H22 N9 O11 P3'
loop_
_publ_author_name
'Averbuch-Pouchot M'
'Durif A'
_journal_name_full 'European Journal of Solid State and Inorganic Chemistry'
_journal_volume 30 
_journal_year 1993
_journal_page_first 471
_journal_page_last 482
_publ_section_title
;
 (Tris)guanidinium cyclotriphosphate and (tetra)guanidinium
 cyclotetraphosphate: two new examples of organic-cation
 cyclophosphates
 _cod_database_code 1007203
;
_database_code_amcsd 0012576
_chemical_formula_sum 'P3 O11 C3 N9 H22'
_cell_length_a 12.140
_cell_length_b 15.183
_cell_length_c 10.706
_cell_angle_alpha 90
_cell_angle_beta 97.49
_cell_angle_gamma 90
_cell_volume 1956.510
_exptl_crystal_density_diffrn      1.539
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
P1   0.36121   0.04409   0.23861
P2   0.19964   0.11429   0.38697
P3   0.16162   0.13082   0.11956
O1   0.38670  -0.05100   0.25490
O2   0.44460   0.10530   0.19940
O3   0.32150   0.08030   0.36700
O4   0.16760   0.17060   0.25950
O5   0.12390   0.03810   0.38710
O6   0.21310   0.17670   0.49330
O7   0.24750   0.05020   0.14200
O8   0.70600   0.30200   0.53920
O9   0.55080   0.40600   0.57810
O10   0.65380   0.14640   0.96940
O11   0.66310   0.12340   0.51840
C1   0.85300   0.34390   0.28760
C2   0.80080   0.06950   0.26090
C3   0.94770   0.17110   0.77410
N1   0.90920   0.35070   0.19070
N2   0.90300   0.35820   0.40270
N3   0.24790   0.17880   0.76920
N4   0.83280   0.08170   0.15000
N5   0.37500   0.44370   0.86110
N6   0.19440   0.43040   0.77280
N7   0.45310   0.41030   0.31570
N8   0.90510   0.18770   0.65840
N9   0.48770   0.26500   0.34700
H1   0.67900   0.19700   0.97200
H2   0.65500   0.13000   0.90700
H3   0.67000   0.17900   0.52700
H4   0.64900   0.10600   0.57200
H5   0.97100   0.38000   0.19800
H6   0.87100   0.34300   0.12000
H7   0.36200   0.14600   0.95300
H8   0.46800   0.13100   0.90800
H9   0.20900   0.18000   0.70400
H10   0.21700   0.18800   0.83300
H11   0.90100   0.07900   0.14400
H12   0.28800   0.40200   0.58800
H13   0.93700   0.05000   0.35100
H14   0.85300   0.04000   0.42700
H15   0.64900   0.07400   0.20600
H16   0.17800   0.42600   0.84000
H17   0.92900   0.05700   0.76500
H18   0.96800   0.08200   0.89200
H19   0.90500   0.23600   0.64600
H20   0.88100   0.15200   0.62100
H21   0.48200   0.21700   0.31500
H22   0.51400   0.27900   0.41700