#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/1/1100386.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_1100386
_chemical_formula_sum 'C40 H28 Br2 Cl1 N2 O4 P1'
_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 9.185(2)
_cell_length_b 15.150(3)
_cell_length_c 25.844(5)
_cell_angle_alpha 88.22(3)
_cell_angle_beta 83.20(3)
_cell_angle_gamma 85.10(3)
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Br 1.35
Cl 0.99
N 0.68
O 0.68
P 1.05
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Br1 Br 0.34951(10) 0.00817(5) 0.22030(3)
Br2 Br 0.57142(9) 0.07764(5) 0.07366(3)
Br3 Br 0.60635(9) 0.60109(5) 0.58930(3)
Br4 Br 0.39712(10) 0.53904(5) 0.72713(3)
Cl1 Cl 0.3988(2) 0.15085(11) 0.15748(7)
Cl2 Cl 0.4512(2) 0.68985(10) 0.67090(6)
P1 P 1.0777(2) 0.44338(12) 0.11100(7)
P2 P 1.0890(2) 0.94676(13) 0.61728(8)
O1 O 0.5091(7) -0.0778(3) 0.3162(2)
O2 O 0.1587(7) -0.1595(4) 0.2182(2)
O3 O 0.8061(6) -0.0882(3) 0.0578(2)
O4 O 0.6356(6) 0.1370(3) -0.0464(2)
O5 O 0.8672(6) 0.4451(3) 0.5740(2)
O6 O 0.5770(6) 0.6071(4) 0.4672(2)
O7 O 0.5408(7) 0.4306(4) 0.8206(2)
O8 O 0.1909(6) 0.3842(3) 0.7140(2)
N1 N 0.3282(8) -0.0969(4) 0.2625(2)
N2 N 0.6943(7) 0.0305(4) 0.0149(2)
N3 N 0.7068(7) 0.5388(4) 0.5314(2)
N4 N 0.3628(7) 0.4294(4) 0.7634(2)
C1 C 0.4233(10) -0.1227(5) 0.2996(3)
C2 C 0.3911(9) -0.2163(5) 0.3137(3)
C3 C 0.4521(9) -0.2727(5) 0.3494(3)
C4 C 0.4059(9) -0.3581(6) 0.3531(3)
C5 C 0.2997(10) -0.3817(5) 0.3231(3)
C6 C 0.2378(9) -0.3247(5) 0.2875(3)
C7 C 0.2883(9) -0.2422(5) 0.2842(3)
C8 C 0.2441(10) -0.1639(6) 0.2497(3)
C9 C 0.7916(10) -0.0440(5) 0.0183(3)
C10 C 0.8737(9) -0.0543(5) -0.0342(3)
C11 C 0.9849(9) -0.1181(5) -0.0523(3)
C12 C 1.0408(10) -0.1104(5) -0.1051(4)
C13 C 0.9846(10) -0.0423(6) -0.1361(3)
C14 C 0.8750(9) 0.0210(5) -0.1167(3)
C15 C 0.8221(9) 0.0137(5) -0.0661(3)
C16 C 0.7095(10) 0.0699(5) -0.0345(3)
C17 C 0.8178(9) 0.4698(5) 0.5346(3)
C18 C 0.8532(8) 0.4378(5) 0.4808(3)
C19 C 0.9575(9) 0.3712(5) 0.4607(3)
C20 C 0.9652(10) 0.3564(5) 0.4080(4)
C21 C 0.8701(10) 0.4037(6) 0.3768(3)
C22 C 0.7708(9) 0.4715(5) 0.3964(3)
C23 C 0.7652(8) 0.4866(5) 0.4486(3)
C24 C 0.6686(9) 0.5530(6) 0.4810(3)
C25 C 0.4517(10) 0.3929(7) 0.8013(3)
C26 C 0.4038(10) 0.3013(6) 0.8101(3)
C27 C 0.4546(10) 0.2367(7) 0.8437(3)
C28 C 0.3896(13) 0.1563(7) 0.8446(4)
C29 C 0.2776(12) 0.1458(7) 0.8149(5)
C30 C 0.2291(11) 0.2105(6) 0.7810(4)
C31 C 0.2948(10) 0.2873(6) 0.7797(3)
C32 C 0.272(1) 0.3694(6) 0.7472(3)
C33 C 0.9101(7) 0.3959(4) 0.1033(3)
C34 C 0.7979(9) 0.3954(5) 0.1453(3)
C35 C 0.6662(9) 0.3620(5) 0.1390(3)
C36 C 0.6453(9) 0.3252(5) 0.0921(3)
C37 C 0.7536(9) 0.3256(5) 0.0507(3)
C38 C 0.8855(9) 0.3619(5) 0.0558(3)
C39 C 1.2164(7) 0.3973(5) 0.0620(3)
C40 C 1.2439(8) 0.3058(5) 0.0583(3)
C41 C 1.3463(9) 0.2699(5) 0.0194(3)
C42 C 1.4169(9) 0.3252(6) -0.0161(3)
C43 C 1.3892(9) 0.4156(6) -0.0142(3)
C44 C 1.2865(8) 0.4521(5) 0.0250(3)
C45 C 1.1297(8) 0.4218(4) 0.1750(3)
C46 C 1.0600(8) 0.4755(5) 0.2157(3)
C47 C 1.0947(8) 0.4612(5) 0.2651(3)
C48 C 1.1988(9) 0.3924(5) 0.2759(3)
C49 C 1.2672(9) 0.3389(5) 0.2368(3)
C50 C 1.2321(8) 0.3547(5) 0.1863(3)
C51 C 1.0536(8) 0.5615(4) 0.1030(3)
C52 C 0.9294(8) 0.6020(5) 0.0855(2)
C53 C 0.9111(9) 0.6958(5) 0.0817(3)
C54 C 1.0207(10) 0.7451(5) 0.0944(3)
C55 C 1.1446(10) 0.7033(5) 0.1116(3)
C56 C 1.1639(8) 0.6117(5) 0.1170(3)
C57 C 1.1401(8) 0.9002(5) 0.6781(3)
C58 C 1.0643(10) 0.8350(5) 0.7039(3)
C59 C 1.1138(12) 0.7940(6) 0.7492(4)
C60 C 1.2331(11) 0.8234(6) 0.7685(3)
C61 C 1.3066(10) 0.8887(6) 0.7427(4)
C62 C 1.2612(9) 0.9255(5) 0.6972(3)
C63 C 1.0691(9) 1.0664(5) 0.6156(3)
C64 C 1.1612(11) 1.1172(6) 0.6359(4)
C65 C 1.1484(12) 1.2085(6) 0.6322(5)
C66 C 1.0351(10) 1.2502(5) 0.6072(3)
C67 C 0.9405(10) 1.2007(6) 0.5870(3)
C68 C 0.9555(9) 1.1095(5) 0.5918(3)
C69 C 0.9183(8) 0.9084(4) 0.6046(3)
C70 C 0.7967(10) 0.9190(5) 0.6436(3)
C71 C 0.6677(9) 0.8853(6) 0.6361(4)
C72 C 0.6546(10) 0.8420(5) 0.5913(4)
C73 C 0.7712(11) 0.8316(5) 0.5528(3)
C74 C 0.9042(9) 0.8650(5) 0.5605(3)
C75 C 1.2250(8) 0.9084(5) 0.5659(3)
C76 C 1.2761(8) 0.8189(5) 0.5647(3)
C77 C 1.3658(8) 0.7853(5) 0.5226(3)
C78 C 1.4114(9) 0.8427(7) 0.4816(3)
C79 C 1.3622(10) 0.9292(6) 0.4827(3)
C80 C 1.2715(9) 0.9642(5) 0.5241(3)
H1 H 1.2407(9) 1.0249(5) 0.5245(3)