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#$Date: 2016-02-20 02:53:41 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176768 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/15/2101542.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_2101542
loop_
_publ_author_name
'Karfunkel, H. R.'
'Wu, Z. J.'
'Burkhard, A.'
'Rihs, G.'
'Sinnreich, D.'
'Buerger, H. M.'
'Stanek, J.'
_publ_section_title
;
 Crystal packing calculations and Rietveld refinement in elucidating
 the crystal structures of two modifications of 4-amidinoindanone
 guanylhydrazone
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              555
_journal_page_last               561
_journal_paper_doi               10.1107/S0108768195017174
_journal_volume                  52
_journal_year                    1996
_chemical_formula_moiety         'C11 H14 N6'
_chemical_formula_sum            'C11 H14 N6'
_chemical_formula_weight         230.27
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                71.078
_cell_angle_beta                 82.838
_cell_angle_gamma                78.941
_cell_formula_units_Z            2
_cell_length_a                   10.717
_cell_length_b                   7.762
_cell_length_c                   7.418
_cell_volume                     571.585
_diffrn_measurement_device       Guinier
_exptl_crystal_description       powder
_cod_data_source_file            sh0073.cif
_cod_data_source_block           sh0073a
_cod_original_cell_volume        571.59
_cod_database_code               2101542
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
C(1) 0.4992 0.2353 0.1120
C(2) 0.5742 0.2434 -0.0563
C(3) 0.7078 0.1914 -0.0520
C(4) 0.7623 0.1324 0.1263
C(5) 0.5522 0.1809 0.2889
C(6) 0.6853 0.1282 0.2960
C(7) 0.4907 0.3088 -0.2248
C(8) 0.3507 0.3407 -0.1380
C(9) 0.3633 0.2940 0.0749
C(10) 0.7934 0.1949 -0.2256
N(11) 0.7959 0.3328 -0.3799
N(12) 0.8784 0.0376 -0.2257
N(13) 0.2724 0.3013 0.2090
N(14) 0.1489 0.3625 0.1527
C(15) 0.0617 0.3542 0.2907
N(16) -0.0624 0.4209 0.2545
N(17) 0.0954 0.2745 0.4735
H(18) 0.8647 0.0913 0.1332
H(19) 0.4913 0.1802 0.4167
H(20) 0.7282 0.0860 0.4320
H(21) 0.5037 0.2046 -0.2969
H(22) 0.5157 0.4345 -0.3313
H(23) 0.2914 0.2538 -0.1664
H(24) 0.3038 0.4829 -0.1982
H(25) 0.7310 0.4475 -0.3754
H(26) 0.8789 -0.0731 -0.1068
H(27) 0.9370 0.0401 -0.3439
H(28) -0.0898 0.4835 0.1203
H(29) -0.1285 0.4103 0.3653
H(30) 0.1884 0.2263 0.4946
H(31) 0.0300 0.2691 0.5854