# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_colo56
_database_code_depnum_ccdc_archive 'CCDC 1031770'
_audit_update_record             
;
2014-12-15 deposited with the CCDC.
2015-03-16 downloaded from the CCDC.
;
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,1/2-y,1/2+z
_cell_length_a                   7.6938(2)
_cell_length_b                   12.9560(2)
_cell_length_c                   26.6662(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.1400(10)
_cell_angle_gamma                90.00
_cell_volume                     2624.36
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C -0.0058(4) -0.2662(3) -0.42751(12)
C2 C 0.1009(5) -0.2444(3) -0.46330(15)
H2 H 0.2177 -0.2705 -0.4590
C3 C 0.0388(6) -0.1847(3) -0.50539(15)
H3 H 0.1119 -0.1714 -0.5302
C4 C -0.1286(6) -0.1448(3) -0.51124(15)
C5 C -0.2357(5) -0.1637(3) -0.47542(16)
H5 H -0.3504 -0.1346 -0.4794
C6 C -0.1765(5) -0.2251(3) -0.43362(15)
H6 H -0.2510 -0.2393 -0.4093
C7 C -0.1978(7) -0.0842(3) -0.55808(17)
C8 C 0.2306(4) -0.4299(2) -0.39192(12)
C9 C 0.1696(4) -0.5145(3) -0.42211(14)
H9 H 0.0467 -0.5267 -0.4305
C10 C 0.2869(5) -0.5805(3) -0.43988(15)
H10 H 0.2451 -0.6379 -0.4605
C11 C 0.4663(4) -0.5623(3) -0.42739(13)
C12 C 0.5289(4) -0.4797(3) -0.39722(14)
H12 H 0.6521 -0.4686 -0.3885
C13 C 0.4105(4) -0.4127(3) -0.37959(13)
H13 H 0.4528 -0.3551 -0.3591
C14 C 0.5910(5) -0.6334(3) -0.44764(16)
C15 C 0.1753(4) -0.2599(2) -0.32426(12)
C16 C 0.1823(5) -0.1547(3) -0.33195(14)
H16 H 0.1310 -0.1266 -0.3638
C17 C 0.2642(5) -0.0882(3) -0.29345(15)
H17 H 0.2679 -0.0160 -0.2995
C18 C 0.3384(5) -0.1273(3) -0.24731(15)
H18 H 0.3936 -0.0821 -0.2216
C19 C 0.3336(4) -0.2346(3) -0.23756(13)
C20 C 0.4056(5) -0.2804(3) -0.19071(14)
H20 H 0.4656 -0.2390 -0.1640
C21 C 0.3891(5) -0.3835(3) -0.18381(14)
H21 H 0.4355 -0.4145 -0.1522
C22 C 0.3016(4) -0.4445(3) -0.22445(13)
C23 C 0.2509(4) -0.3014(2) -0.27638(12)
C24 C 0.2798(4) -0.5554(3) -0.21779(13)
C25 C 0.2002(4) -0.6274(3) -0.25239(13)
C26 C 0.1046(5) -0.6300(3) -0.30245(14)
H26 H 0.0783 -0.5680 -0.3212
C27 C 0.0516(6) -0.7226(3) -0.32297(16)
H27 H -0.0101 -0.7255 -0.3568
C28 C 0.0866(5) -0.8157(3) -0.29495(16)
H28 H 0.0490 -0.8798 -0.3103
C29 C 0.1731(5) -0.8137(3) -0.24658(16)
H29 H 0.1938 -0.8751 -0.2271
F1 F -0.3153(7) -0.0148(3) -0.55100(15)
F2 F -0.0708(6) -0.0327(3) -0.57639(15)
F3 F -0.2661(5) -0.1435(2) -0.59596(11)
F4 F 0.5519(11) -0.6385(5) -0.5000(3)
F5 F 0.5756(8) -0.7325(5) -0.4334(2)
F6 F 0.7557(9) -0.6116(5) -0.4362(3)
N1 N 0.2380(3) -0.4057(2) -0.26957(10)
N2 N 0.3493(4) -0.6048(3) -0.17440(12)
N3 N 0.3208(5) -0.7044(3) -0.17901(13)
N4 N 0.2297(4) -0.7196(2) -0.22684(12)
O1 O -0.0854(3) -0.40489(18) -0.35758(9)
P1 P 0.06508(10) -0.34648(6) -0.37219(3)
F4B F 0.5330(11) -0.6760(5) -0.4914(3)
F5B F 0.7153(9) -0.6669(5) -0.4106(3)
F6B F 0.7227(9) -0.5742(5) -0.4662(3)

#END
