#------------------------------------------------------------------------------
#$Date: 2011-09-17 22:27:16 +0200 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100058.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2100058
_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
;
_[local]_cod_chemical_formula_sum_orig 'not given'
_symmetry_space_group_name_H-M 'P -1'
_space_group_crystal_system  triclinic
_cell_length_a  11.6270
_cell_length_b  11.8530
_cell_length_c  14.2340
_cell_angle_alpha  71.82
_cell_angle_beta  67.59
_cell_angle_gamma  62.75
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  Mo1 -0.00540 -0.08360 0.41105 Mo
  Mo2 -0.16967 0.00404 0.58315 Mo
  Mo3 -0.07966 0.15877 0.42355 Mo
  Br1 0.24051 -0.24258 0.40661 Br
  Br2 -0.09205 -0.23467 0.56809 Br
  Br3 -0.25056 0.07900 0.41920 Br
  Br6 0.08273 0.06933 0.25611 Br
  C1 -0.01375 -0.18635 0.31055 C
  N1 -0.02620 -0.23785 0.26225 N
  C2 -0.36785 0.00390 0.68165 C
  N2 -0.46710 -0.00175 0.73380 N
  C3 -0.17045 0.34790 0.33275 C
  N3 -0.20485 0.44665 0.28385 N
  P1 0.52644 0.59565 -0.20985 P
  C7 0.55845 0.64865 -0.34680 C
  C8 0.55435 0.58235 -0.41150 C
  H1 0.53240 0.51025 -0.38295 H
  C9 0.58270 0.62410 -0.51655 C
  H2 0.58105 0.57910 -0.55865 H
  C10 0.61285 0.73210 -0.55900 C
  H3 0.63110 0.76050 -0.62980 H
  C11 0.61570 0.79745 -0.49665 C
  H4 0.63605 0.87020 -0.52555 H
  C12 0.58980 0.75690 -0.39215 C
  H5 0.59255 0.80240 -0.35105 H
  C13 0.55655 0.42755 -0.17980 C
  C14 0.47060 0.38535 -0.19440 C
  H6 0.39660 0.44465 -0.21775 H
  C15 0.49550 0.25690 -0.17390 C
  H7 0.44205 0.22840 -0.18750 H
  C16 0.60075 0.16960 -0.13335 C
  H8 0.61440 0.08310 -0.11755 H
  C17 0.68460 0.20585 -0.11580 C
  H9 0.75520 0.14530 -0.08895 H
  C18 0.66270 0.33810 -0.13805 C
  H10 0.71860 0.36510 -0.12670 H
  C19 0.35370 0.68650 -0.14715 C
  C20 0.30595 0.82300 -0.17530 C
  H11 0.36235 0.86240 -0.22430 H
  C21 0.17620 0.89345 -0.12885 C
  H12 0.14450 0.98265 -0.14490 H
  C22 0.09040 0.83460 -0.05800 C
  H13 0.00085 0.88400 -0.02910 H
  C23 0.13735 0.70235 -0.03010 C
  H14 0.08155 0.66260 0.01840 H
  C24 0.27230 0.62785 -0.07520 C
  H15 0.30595 0.53950 -0.05520 H
  C25 0.64250 0.62430 -0.17325 C
  C26 0.77750 0.56290 -0.21715 C
  H16 0.80540 0.51040 -0.26485 H
  C27 0.87330 0.57730 -0.19190 C
  H17 0.96495 0.53425 -0.22100 H
  C28 0.82505 0.65930 -0.12095 C
  H18 0.88745 0.66895 -0.10175 H
  C29 0.68585 0.72710 -0.07800 C
  H19 0.65615 0.78435 -0.03390 H
  C30 0.59640 0.70545 -0.10380 C
  H20 0.50450 0.74560 -0.07430 H
  O1 0.70190 -0.06745 0.05640 O
  O2 0.16475 0.30890 0.83535 O
_cod_database_code 2100058