#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:19:04 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180332 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/01/7200144.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_7200144
loop_
_publ_author_name
'Fu, Xiao-Fei'
'Yue, Yan-Feng'
'Guo, Rui'
'Li, Le-Le'
'Sun, Wei'
'Fang, Chen-Jie'
'Xu, Chun-Hu'
'Yan, Chun-Hua'
_publ_section_title
;
 An enhanced fluorescence in a tunable face-to-face π⋯π
 stacking assembly directed by the H-bonding
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              2268
_journal_paper_doi               10.1039/b910263a
_journal_volume                  11
_journal_year                    2009
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_audit_creation_date             2008-03-16
_audit_creation_method           'Materials Studio'
_cell_angle_alpha                109.4850
_cell_angle_beta                 109.4408
_cell_angle_gamma                108.6253
_cell_length_a                   16.6271
_cell_length_b                   16.6548
_cell_length_c                   16.7851
_cell_volume                     3615.540
_cod_data_source_file            ACO_model.cif
_cod_data_source_block           ACO_model
_cod_original_sg_symbol_H-M      P1
_cod_database_code               7200144
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
Zn1 Zn 0.30070 0.30901 0.29964 0.00000 Uiso 1.00
Zn2 Zn 0.99245 0.98302 0.67430 0.00000 Uiso 1.00
Zn3 Zn 0.67438 0.97560 0.99278 0.00000 Uiso 1.00
Zn4 Zn 0.98280 0.66622 0.98407 0.00000 Uiso 1.00
Zn5 Zn 0.66767 0.67584 0.66688 0.00000 Uiso 1.00
Zn6 Zn 0.99995 0.99074 0.30931 0.00000 Uiso 1.00
Zn7 Zn 0.98413 0.29409 0.98430 0.00000 Uiso 1.00
Zn8 Zn 0.30052 0.97502 0.99164 0.00000 Uiso 1.00
C9 C 0.29952 0.13114 0.15569 0.00000 Uiso 1.00
H10 H 0.27040 0.08234 0.17999 0.00000 Uiso 1.00
N11 N 0.31781 0.22445 0.19343 0.00000 Uiso 1.00
N12 N 0.32235 0.10578 0.08442 0.00000 Uiso 1.00
C13 C 0.35450 0.26075 0.14292 0.00000 Uiso 1.00
H14 H 0.37453 0.33437 0.15746 0.00000 Uiso 1.00
C15 C 0.35768 0.18821 0.07647 0.00000 Uiso 1.00
H16 H 0.38272 0.18920 0.02519 0.00000 Uiso 1.00
C17 C 0.98823 0.13325 0.83472 0.00000 Uiso 1.00
H18 H 0.97827 0.08877 0.86841 0.00000 Uiso 1.00
N19 N 0.00106 0.10890 0.75655 0.00000 Uiso 1.00
N20 N 0.98830 0.21914 0.86538 0.00000 Uiso 1.00
C21 C 0.00988 0.18392 0.73613 0.00000 Uiso 1.00
H22 H 0.02092 0.18317 0.67628 0.00000 Uiso 1.00
C23 C 0.00204 0.25152 0.80284 0.00000 Uiso 1.00
H24 H 0.00434 0.31903 0.81007 0.00000 Uiso 1.00
C25 C 0.65357 0.80631 0.83152 0.00000 Uiso 1.00
H26 H 0.69876 0.79289 0.88292 0.00000 Uiso 1.00
N27 N 0.62425 0.87305 0.85670 0.00000 Uiso 1.00
N28 N 0.61942 0.75794 0.73503 0.00000 Uiso 1.00
C29 C 0.56809 0.86702 0.77084 0.00000 Uiso 1.00
H30 H 0.53498 0.91284 0.76913 0.00000 Uiso 1.00
C31 C 0.56526 0.79657 0.69637 0.00000 Uiso 1.00
H32 H 0.53004 0.77217 0.61986 0.00000 Uiso 1.00
C33 C 0.98632 0.83126 0.14058 0.00000 Uiso 1.00
H34 H 0.96949 0.86337 0.09553 0.00000 Uiso 1.00
N35 N 0.98772 0.74619 0.10949 0.00000 Uiso 1.00
N36 N 0.00661 0.87108 0.23390 0.00000 Uiso 1.00
C37 C 0.01049 0.73079 0.18807 0.00000 Uiso 1.00
H38 H 0.01551 0.66664 0.18324 0.00000 Uiso 1.00
C39 C 0.02183 0.80722 0.26423 0.00000 Uiso 1.00
H40 H 0.03902 0.82099 0.33684 0.00000 Uiso 1.00
C41 C 0.14812 0.30741 0.14267 0.00000 Uiso 1.00
H42 H 0.11498 0.22925 0.10430 0.00000 Uiso 1.00
N43 N 0.22896 0.36466 0.23059 0.00000 Uiso 1.00
N44 N 0.11347 0.35843 0.10793 0.00000 Uiso 1.00
C45 C 0.24720 0.45852 0.25357 0.00000 Uiso 1.00
H46 H 0.30882 0.52010 0.32054 0.00000 Uiso 1.00
C47 C 0.17621 0.45470 0.17841 0.00000 Uiso 1.00
H48 H 0.16548 0.51236 0.16986 0.00000 Uiso 1.00
C49 C 0.14497 0.14348 0.29086 0.00000 Uiso 1.00
H50 H 0.11598 0.09710 0.21455 0.00000 Uiso 1.00
N51 N 0.22335 0.23325 0.34406 0.00000 Uiso 1.00
N52 N 0.10784 0.11800 0.34424 0.00000 Uiso 1.00
C53 C 0.23681 0.26704 0.43697 0.00000 Uiso 1.00
H54 H 0.29564 0.33752 0.49551 0.00000 Uiso 1.00
C55 C 0.16599 0.19654 0.43712 0.00000 Uiso 1.00
H56 H 0.15308 0.19558 0.49560 0.00000 Uiso 1.00
C57 C 0.15977 0.99443 0.83986 0.00000 Uiso 1.00
H58 H 0.18099 0.06633 0.89321 0.00000 Uiso 1.00
N59 N 0.08715 0.94683 0.74729 0.00000 Uiso 1.00
N60 N 0.20335 0.94197 0.85876 0.00000 Uiso 1.00
C61 C 0.08415 0.85847 0.70451 0.00000 Uiso 1.00
H62 H 0.03210 0.80509 0.62966 0.00000 Uiso 1.00
C63 C 0.15526 0.85546 0.77282 0.00000 Uiso 1.00
H64 H 0.17460 0.79876 0.76682 0.00000 Uiso 1.00
C65 C 0.13862 0.80350 0.96715 0.00000 Uiso 1.00
H66 H 0.08594 0.80010 0.90566 0.00000 Uiso 1.00
N67 N 0.11597 0.74489 0.00452 0.00000 Uiso 1.00
N68 N 0.23506 0.86600 0.01421 0.00000 Uiso 1.00
C69 C 0.20350 0.77214 0.08053 0.00000 Uiso 1.00
H70 H 0.20714 0.73801 0.12497 0.00000 Uiso 1.00
C71 C 0.27650 0.84612 0.08623 0.00000 Uiso 1.00
H72 H 0.35394 0.88527 0.13494 0.00000 Uiso 1.00
C73 C 0.84143 0.99773 0.16158 0.00000 Uiso 1.00
H74 H 0.89309 0.06072 0.16647 0.00000 Uiso 1.00
N75 N 0.74559 0.94715 0.09552 0.00000 Uiso 1.00
N76 N 0.86493 0.96174 0.22169 0.00000 Uiso 1.00
C77 C 0.70558 0.87441 0.11478 0.00000 Uiso 1.00
H78 H 0.62892 0.82302 0.07319 0.00000 Uiso 1.00
C79 C 0.77876 0.88301 0.19174 0.00000 Uiso 1.00
H80 H 0.77619 0.83888 0.22625 0.00000 Uiso 1.00
C81 C 0.83868 0.82335 0.66936 0.00000 Uiso 1.00
H82 H 0.89220 0.83689 0.73705 0.00000 Uiso 1.00
N83 N 0.86024 0.87024 0.62129 0.00000 Uiso 1.00
N84 N 0.74382 0.75631 0.62213 0.00000 Uiso 1.00
C85 C 0.77347 0.83070 0.53825 0.00000 Uiso 1.00
H86 H 0.76891 0.85449 0.48543 0.00000 Uiso 1.00
C87 C 0.70215 0.76080 0.53868 0.00000 Uiso 1.00
H88 H 0.62612 0.71338 0.48584 0.00000 Uiso 1.00
C89 C 0.83561 0.69178 0.83582 0.00000 Uiso 1.00
H90 H 0.87333 0.77012 0.87663 0.00000 Uiso 1.00
N91 N 0.86784 0.63559 0.86356 0.00000 Uiso 1.00
N92 N 0.75043 0.63869 0.75130 0.00000 Uiso 1.00
C93 C 0.79885 0.54094 0.79230 0.00000 Uiso 1.00
H94 H 0.80599 0.48021 0.79634 0.00000 Uiso 1.00
C95 C 0.72710 0.54284 0.72365 0.00000 Uiso 1.00
H96 H 0.66210 0.48410 0.65751 0.00000 Uiso 1.00
C97 C 0.81599 0.12406 0.96792 0.00000 Uiso 1.00
H98 H 0.78880 0.07284 0.89339 0.00000 Uiso 1.00
N99 N 0.77763 0.10405 0.02267 0.00000 Uiso 1.00
N100 N 0.89168 0.21520 0.01684 0.00000 Uiso 1.00
C101 C 0.83222 0.18773 0.11199 0.00000 Uiso 1.00
H102 H 0.81725 0.19287 0.17063 0.00000 Uiso 1.00
C103 C 0.90216 0.25573 0.10854 0.00000 Uiso 1.00
H104 H 0.95866 0.32869 0.16385 0.00000 Uiso 1.00
C105 C 0.46970 0.49493 0.49260 0.00000 Uiso 1.00
N106 N 0.43651 0.41599 0.40777 0.00000 Uiso 1.00
N107 N 0.56755 0.55054 0.53982 0.00000 Uiso 1.00
C108 C 0.51830 0.42177 0.40069 0.00000 Uiso 1.00
C109 C 0.59847 0.50416 0.48135 0.00000 Uiso 1.00
C110 C 0.97770 0.98845 0.48627 0.00000 Uiso 1.00
N111 N 0.03061 0.99939 0.44097 0.00000 Uiso 1.00
N112 N 0.02749 0.99447 0.57204 0.00000 Uiso 1.00
C113 C 0.11982 0.01331 0.50179 0.00000 Uiso 1.00
C114 C 0.11785 0.01035 0.58196 0.00000 Uiso 1.00
C115 C 0.99791 0.48148 0.97630 0.00000 Uiso 1.00
N116 N 0.95222 0.53557 0.97940 0.00000 Uiso 1.00
N117 N 0.95062 0.39974 0.97789 0.00000 Uiso 1.00
C118 C 0.87094 0.48515 0.98340 0.00000 Uiso 1.00
C119 C 0.86999 0.40204 0.98238 0.00000 Uiso 1.00
H120 H 0.42358 0.51186 0.51976 0.00000 Uiso 1.00
H121 H 0.51283 0.36741 0.33900 0.00000 Uiso 1.00
H122 H 0.90397 0.97637 0.45707 0.00000 Uiso 1.00
H123 H 0.17745 0.02473 0.48383 0.00000 Uiso 1.00
H124 H 0.06461 0.50154 0.97297 0.00000 Uiso 1.00
H125 H 0.82071 0.51214 0.98693 0.00000 Uiso 1.00
H126 H 0.81915 0.34511 0.98515 0.00000 Uiso 1.00
C127 C 0.47570 0.96211 0.96945 0.00000 Uiso 1.00
N128 N 0.43738 0.99912 0.02189 0.00000 Uiso 1.00
N129 N 0.57199 0.99605 0.02391 0.00000 Uiso 1.00
C130 C 0.51410 0.06034 0.11571 0.00000 Uiso 1.00
C131 C 0.59638 0.05828 0.11691 0.00000 Uiso 1.00
H132 H 0.43410 0.91099 0.89275 0.00000 Uiso 1.00
H133 H 0.50430 0.10102 0.17330 0.00000 Uiso 1.00
H134 H 0.66947 0.09537 0.17649 0.00000 Uiso 1.00
H135 H 0.67433 0.53347 0.50126 0.00000 Uiso 1.00
H136 H 0.17284 0.01768 0.64456 0.00000 Uiso 1.00
