data_2100023
_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  10.3450
_cell_length_b  10.7200
_cell_length_c  13.6190
_cell_angle_alpha  80.40
_cell_angle_beta  71.41
_cell_angle_gamma  85.14
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  Cu1 -0.19990 0.13510 0.75610 Cu
  Cu3 0.00000 0.50000 0.50000 Cu
  O1 -0.17360 0.34600 0.79500 O
  N1 -0.32410 0.13250 0.90440 N
  C1 -0.25350 0.33850 0.89850 C
  C2 -0.32100 0.23900 0.95250 C
  C3 -0.39950 0.23250 1.06650 C
  O2 -0.06690 0.14630 0.61610 O
  N2 -0.04160 0.04810 0.79890 N
  C4 0.05700 0.07900 0.61400 C
  C5 0.05550 0.00300 0.71250 C
  C6 0.18585 -0.06010 0.72205 C
  O3 -0.30850 -0.05105 0.73695 O
  N3 -0.34540 0.20890 0.68960 N
  C7 -0.40500 -0.00450 0.68600 C
  C8 -0.37650 0.12400 0.62700 C
  C9 -0.48400 0.17900 0.57800 C
  O7 -0.05100 0.33600 0.49100 O
  N7 -0.07750 0.55850 0.38350 N
  C19 -0.10200 0.33700 0.41150 C
  C20 -0.11300 0.44750 0.35000 C
  C21 -0.11850 0.45550 0.24900 C
  S1 -0.31630 0.63095 0.64440 S
  O9 -0.31020 0.69240 0.72790 O
  O10 -0.29600 0.70750 0.54520 O
  O11 -0.24470 0.50860 0.64020 O
  C25 -0.49100 0.58650 0.68350 C
  F1 -0.52750 0.51380 0.77310 F
  F2 -0.57530 0.68840 0.69075 F
  F3 -0.51400 0.52760 0.61320 F
  S2 0.24120 0.17920 0.91265 S
  O12 0.19640 0.22450 0.82630 O
  O13 0.37800 0.17250 0.89550 O
  O14 0.17750 0.06950 0.97050 O
  C26 0.17450 0.29400 1.00750 C
  F4 0.05250 0.32200 1.01400 F
  F5 0.19600 0.25500 1.08850 F
  F6 0.23350 0.39850 0.96400 F