
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
#
#######################################################################
#
# If this CIF has been generated directly or indirectly from an entry in the 
# Cambridge Structural Database, then it will include bibliographic, chemical, 
# crystal, experimental, refinement or atomic coordinate data resulting from 
# the CCDC's data processing and validation procedures. Files generated from 
# CSD entries are Copyright 2007 Cambridge Crystallographic Data Centre. They 
# may be used in bona fide research applications only, and may not be copied or 
# further disseminated in any form, whether machine-readable or not, except for 
# the purposes of generating routine backup copies on your local computer 
# system.
# 
# Files arising from any other source may also contain material that is the 
# copyright of third parties, including the originator, and you should check 
# with the originator concerning the permitted uses of the information 
# contained in this CIF.
#
# For further information on the CCDC and the free tools enCIFer and Mercury
# for validating and visualising CIF files, please visit www.ccdc.cam.ac.uk
#
#######################################################################

data_dr35a
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a                   8.12(3)
_cell_length_b                   11.36(4)
_cell_length_c                   11.99(4)
_cell_angle_alpha                64.86(5)
_cell_angle_beta                 89.70(6)
_cell_angle_gamma                78.86(6)
_cell_volume                     978.679
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ga1 Ga 0.32138(9) 0.32258(6) 0.82501(6)
Cl1 Cl 0.2080(3) 0.47265(17) 0.88390(18)
Cl2 Cl 0.4363(3) 0.41213(19) 0.65499(16)
Cl3 Cl 0.1275(2) 0.22995(17) 0.79388(16)
Cl4 Cl 0.5090(3) 0.18057(19) 0.96717(18)
P1 P 0.8556(2) 0.75524(16) 0.75963(15)
N1 N 0.8836(6) 0.9047(5) 0.7137(4)
N2 N 0.7601(7) 0.7539(5) 0.6411(5)
C1 C 0.8284(8) 1.0109(6) 0.5966(6)
C2 C 0.8590(9) 1.1352(6) 0.5692(7)
H2A H 0.9190 1.1490 0.6288
C3 C 0.8027(10) 1.2390(7) 0.4555(7)
H3A H 0.8214 1.3249 0.4383
C4 C 0.7208(9) 1.2210(7) 0.3673(7)
H4A H 0.6836 1.2944 0.2894
C5 C 0.6904(8) 1.0962(6) 0.3893(6)
C6 C 0.6079(9) 1.0762(7) 0.2971(6)
H6A H 0.5715 1.1490 0.2188
C7 C 0.5805(9) 0.9568(7) 0.3183(6)
H7A H 0.5261 0.9452 0.2549
C8 C 0.6312(8) 0.8486(7) 0.4333(6)
H8A H 0.6097 0.7642 0.4477
C9 C 0.7108(8) 0.8627(6) 0.5248(6)
C10 C 0.7450(8) 0.9886(6) 0.5058(5)
C11 C 0.9674(8) 0.9324(6) 0.8105(6)
H11A H 1.0470 0.9917 0.7688
C12 C 0.8377(9) 1.0050(7) 0.8603(7)
H12A H 0.8922 1.0229 0.9225
H12B H 0.7550 0.9505 0.8984
H12C H 0.7807 1.0893 0.7928
C13 C 1.0669(9) 0.8081(7) 0.9117(6)
H13A H 1.1187 0.8303 0.9720
H13B H 1.1552 0.7654 0.8768
H13C H 0.9920 0.7472 0.9528
C14 C 0.7276(9) 0.6216(6) 0.6609(6)
H14A H 0.6140 0.6377 0.6187
C15 C 0.8529(10) 0.5596(7) 0.6005(7)
H15A H 0.8505 0.6208 0.5130
H15B H 0.8251 0.4766 0.6076
H15C H 0.9657 0.5404 0.6411
C16 C 0.7227(11) 0.5304(7) 0.7982(7)
H16A H 0.7003 0.4453 0.8069
H16B H 0.6332 0.5728 0.8326
H16C H 0.8315 0.5149 0.8427

#END
