#------------------------------------------------------------------------------
#$Date: 2011-09-28 16:24:46 +0200 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/00/2100088.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_2100088
_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  12.0060
_cell_length_b  12.0840
_cell_length_c  12.1430
_cell_angle_alpha  61.97
_cell_angle_beta  75.97
_cell_angle_gamma  76.53
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  Mo1 0.62937 0.38223 0.00409 Mo
  Mo2 0.58105 0.62565 -0.12633 Mo
  Mo3 0.45426 0.47409 -0.11947 Mo
  Cl1 0.65645 0.48370 -0.23050 Cl
  Cl2 0.50300 0.24345 0.01040 Cl
  Cl3 0.74265 0.53290 -0.00325 Cl
  Cl4 0.41035 0.70695 -0.23735 Cl
  N1 0.77600 0.24550 0.01145 N
  N2 0.67660 0.76650 -0.26930 N
  N3 0.40210 0.44640 -0.25590 N
  C1 0.84730 0.16585 0.05805 C
  C2 0.74225 0.81555 -0.35605 C
  C3 0.36505 0.45995 -0.33925 C
  O1 0.92110 0.08540 0.10040 O
  O2 0.80955 0.87040 -0.44450 O
  O3 0.32830 0.47320 -0.42795 O
  N7 0.18690 -0.16455 0.35880 N
  C7 0.17715 -0.03535 0.24650 C
  H1 0.09640 -0.00830 0.23510 H
  H2 0.20005 0.02435 0.26615 H
  C8 0.24900 -0.02905 0.12305 C
  H3 0.32945 -0.05590 0.13280 H
  H4 0.22540 -0.08495 0.09985 H
  C9 0.23465 0.10460 0.02055 C
  H5 0.15525 0.12865 0.00830 H
  H6 0.25300 0.16045 0.04675 H
  C10 0.30650 0.11710 -0.09860 C
  H7 0.29440 0.20200 -0.16145 H
  H8 0.28760 0.06295 -0.12555 H
  H9 0.38505 0.09505 -0.08725 H
  C11 0.13750 -0.25760 0.33865 C
  H10 0.14830 -0.34000 0.40975 H
  H11 0.18225 -0.26480 0.26375 H
  C12 0.01105 -0.22485 0.32410 C
  H12 -0.03475 -0.20925 0.39285 H
  H13 -0.00120 -0.15045 0.24595 H
  C13 -0.02105 -0.33845 0.32325 C
  C14 -0.05255 -0.36195 0.27870 C
  C15 0.31310 -0.21660 0.37460 C
  H19 0.31580 -0.29815 0.44730 H
  H20 0.35245 -0.23005 0.30155 H
  C16 0.37930 -0.13455 0.39100 C
  H21 0.34250 -0.12270 0.46550 H
  H22 0.37730 -0.05250 0.31895 H
  C17 0.50385 -0.19350 0.40270 C
  H23 0.50575 -0.27310 0.47825 H
  H24 0.53685 -0.21225 0.33125 H
  C18 0.57605 -0.11300 0.40660 C
  H25 0.65330 -0.15675 0.41305 H
  H26 0.54565 -0.09615 0.47880 H
  H27 0.57685 -0.03505 0.33160 H
  C19 0.12020 -0.14570 0.47425 C
  H28 0.15735 -0.08940 0.48490 H
  H29 0.04305 -0.10415 0.45730 H
  C20 0.10965 -0.26420 0.59695 C
  H30 0.18575 -0.31250 0.61110 H
  H31 0.06215 -0.31615 0.59245 H
  C21 0.05670 -0.23065 0.70335 C
  H32 -0.01170 -0.16885 0.68045 H
  H33 0.11130 -0.19130 0.71590 H
  C22 0.02360 -0.33980 0.82325 C
  H34 -0.01000 -0.31140 0.88730 H
  H35 0.09110 -0.40055 0.84800 H
  H36 -0.03200 -0.37810 0.81240 H
_cod_database_code 2100088