data_2100059
_journal_name_full  'Acta Crystallographica, Section B'
_journal_year  2005
_journal_volume  61
_journal_page_first  359
_journal_page_last  359
loop_
_publ_author_name
  'Richard E. Marsh'
_publ_section_title
;
Space group P1: an update
;
_chemical_formula_sum 'not given'
_symmetry_space_group_name_H-M 'P -1'
_space_group_crystal_system  triclinic
_cell_length_a  8.8620
_cell_length_b  12.6561
_cell_length_c  12.8004
_cell_angle_alpha  107.61
_cell_angle_beta  96.48
_cell_angle_gamma  103.36
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  Zn1 0.00612 -0.06479 0.34038 Zn
  O1 -0.13925 -0.09440 0.44165 O
  O2 -0.22340 0.02290 0.57290 O
  N1 -0.01615 0.05060 0.27040 N
  N2 -0.06930 -0.20430 0.20540 N
  C1 -0.24385 -0.05230 0.47870 C
  C2 -0.40300 -0.09445 0.40725 C
  C5 -0.10825 0.01785 0.17030 C
  C6 -0.18070 -0.09865 0.10505 C
  H7 -0.25930 -0.11040 0.04485 H
  C7 -0.15410 -0.20035 0.11645 C
  C8 -0.22525 -0.30850 0.01520 C
  H8 -0.20125 -0.37310 0.03060 H
  H9 -0.18155 -0.29855 -0.04760 H
  H10 -0.33780 -0.32230 -0.00160 H
  C9 -0.13275 0.10450 0.11670 C
  H11 -0.08020 0.18070 0.16730 H
  H12 -0.24330 0.09675 0.09905 H
  H13 -0.09045 0.09110 0.04975 H
  C10 0.08025 0.16955 0.32095 C
  C11 0.02665 0.24955 0.39530 C
  C12 0.12730 0.36150 0.44310 C
  H14 0.09370 0.41750 0.49305 H
  C13 0.27360 0.39105 0.41860 C
  H15 0.33825 0.46620 0.45120 H
  C14 0.32570 0.30890 0.34520 C
  H16 0.42590 0.32965 0.32990 H
  C15 0.23050 0.19480 0.29290 C
  C16 0.28265 0.10305 0.21255 C
  H17 0.21455 0.07965 0.14015 H
  H18 0.26565 0.03650 0.23680 H
  C17 0.44740 0.13300 0.19775 C
  H19 0.46685 0.06790 0.14520 H
  H20 0.51700 0.15400 0.26805 H
  H21 0.46565 0.19680 0.17070 H
  C18 -0.12905 0.21710 0.42505 C
  H22 -0.11765 0.17730 0.47720 H
  H23 -0.20065 0.16245 0.35920 H
  C19 -0.20630 0.30610 0.47485 C
  H24 -0.30475 0.27130 0.49035 H
  H25 -0.22345 0.34510 0.42370 H
  H26 -0.14050 0.35950 0.54260 H
  C20 -0.03345 -0.31030 0.20400 C
  C21 0.10795 -0.32670 0.17705 C
  C22 0.14640 -0.42780 0.17990 C
  H27 0.24105 -0.44030 0.16220 H
  C23 0.04585 -0.50410 0.20820 C
  H28 0.07275 -0.57035 0.20990 H
  C24 -0.09425 -0.49245 0.23490 C
  H29 -0.16100 -0.54940 0.25340 H
  C25 -0.13955 -0.39100 0.23330 C
  C26 -0.28930 -0.37305 0.26595 C
  H30 -0.32515 -0.32640 0.22685 H
  H31 -0.26665 -0.32940 0.34465 H
  C27 -0.41915 -0.47595 0.24445 C
  H32 -0.50965 -0.45460 0.26785 H
  H33 -0.38730 -0.52175 0.28480 H
  H34 -0.44570 -0.51920 0.16660 H
  C28 0.22235 -0.23815 0.14475 C
  H35 0.16690 -0.19975 0.11340 H
  H36 0.28420 -0.18580 0.21000 H
  C29 0.32905 -0.26960 0.07690 C
  H37 0.39735 -0.20555 0.06690 H
  H38 0.27110 -0.31875 0.01035 H
  H39 0.38875 -0.30535 0.10730 H