#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/05/4300524.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_4300524
loop_
_publ_author_name
' Habermehl, Nicolle C.'
' Angus, Patricia M.'
' Kilah, Nathan L.'
'Norén, Lasse'
'Rae, A. David'
' Willis, Anthony C. '
'  S. Bruce Wild '
_publ_section_title
;
Asymmetric Transformation of a Double-Stranded, Dicopper(I) Helicate
Containing Achiral Bis(Bidentate) Schiff-Bases
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051478c
_journal_year                    2006
_chemical_absolute_configuration rmad
_chemical_formula_moiety         'C40 H52 Cu2 N8 , 2(C18 H12 As O6), C H2 Cl2'
_chemical_formula_sum            'C77 H78 As2 Cl2 Cu2 N8 O12'
_chemical_formula_weight         1655.35
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.3325(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.3419(2)
_cell_length_b                   25.9815(4)
_cell_length_c                   12.4508(2)
_cell_measurement_temperature    200
_cell_volume                     3718.94(10)
_diffrn_ambient_temperature      200
_exptl_crystal_density_diffrn    1.478
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        ' C77 H78 As2 Cl2 Cu2 N8 O12 '
_cod_database_code               4300524
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
As1 As 0.62726(5) 0.24590(3) 0.58963(4) 0.0288 1.0000 Uani . . . . . .
As2 As 0.73035(5) 0.52377(3) 0.80195(5) 0.0338 1.0000 Uani . . . . . .
Cu1 Cu 0.10865(5) 0.33462(3) 0.23760(5) 0.0299 1.0000 Uani . . . . . .
Cu2 Cu 0.25932(6) 0.44602(3) 0.17721(5) 0.0339 1.0000 Uani . . . . . .
Cl1 Cl 0.4866(3) 0.20666(13) 0.1333(2) 0.1143 1.0000 Uani . . . . . .
Cl2 Cl 0.6979(2) 0.15759(12) 0.2810(2) 0.0942 1.0000 Uani . . . . . .
O1 O 0.6256(3) 0.26275(14) 0.4455(3) 0.0347 1.0000 Uani . . . . . .
O2 O 0.6878(3) 0.30993(14) 0.6389(3) 0.0323 1.0000 Uani . . . . . .
O3 O 0.7757(3) 0.22046(14) 0.6408(3) 0.0308 1.0000 Uani . . . . . .
O4 O 0.5740(3) 0.18196(15) 0.5333(3) 0.0376 1.0000 Uani . . . . . .
O5 O 0.6245(3) 0.23394(16) 0.7341(3) 0.0324 1.0000 Uani . . . . . .
O6 O 0.4752(3) 0.26745(15) 0.5457(3) 0.0342 1.0000 Uani . . . . . .
O7 O 0.7220(3) 0.54737(16) 0.6604(3) 0.0391 1.0000 Uani . . . . . .
O8 O 0.8826(3) 0.50573(15) 0.8293(3) 0.0409 1.0000 Uani . . . . . .
O9 O 0.7705(4) 0.58820(16) 0.8622(4) 0.0447 1.0000 Uani . . . . . .
O10 O 0.7466(4) 0.50121(15) 0.9467(3) 0.0407 1.0000 Uani . . . . . .
O11 O 0.5772(4) 0.54090(13) 0.7638(4) 0.0377 1.0000 Uani . . . . . .
O12 O 0.6847(4) 0.45845(14) 0.7495(3) 0.0381 1.0000 Uani . . . . . .
N1 N 0.0576(4) 0.28735(16) 0.3462(4) 0.0298 1.0000 Uani . . . . . .
N2 N 0.0609(4) 0.38922(15) 0.3265(4) 0.0286 1.0000 Uani . . . . . .
N3 N 0.0847(4) 0.44804(17) 0.1277(4) 0.0315 1.0000 Uani . . . . . .
N4 N 0.2162(4) 0.41680(17) 0.0132(4) 0.0312 1.0000 Uani . . . . . .
N5 N 0.0415(3) 0.30938(15) 0.0672(3) 0.0247 1.0000 Uani . . . . . .
N6 N 0.2582(3) 0.32016(16) 0.2149(3) 0.0270 1.0000 Uani . . . . . .
N7 N 0.3797(4) 0.41938(16) 0.3249(3) 0.0291 1.0000 Uani . . . . . .
N8 N 0.3632(4) 0.51112(17) 0.2211(4) 0.0373 1.0000 Uani . . . . . .
C1 C 0.0531(4) 0.2351(2) 0.3498(4) 0.0338 1.0000 Uani . . . . . .
C2 C 0.0041(6) 0.2121(2) 0.4221(6) 0.0450 1.0000 Uani . . . . . .
C3 C -0.0411(5) 0.2402(3) 0.4889(5) 0.0496 1.0000 Uani . . . . . .
C4 C -0.0344(5) 0.2942(2) 0.4851(5) 0.0382 1.0000 Uani . . . . . .
C5 C 0.0143(4) 0.3154(2) 0.4131(4) 0.0302 1.0000 Uani . . . . . .
C6 C 0.0238(4) 0.3712(2) 0.4007(5) 0.0308 1.0000 Uani . . . . . .
C7 C 0.0706(5) 0.4461(2) 0.3191(5) 0.0395 1.0000 Uani . . . . . .
C8 C 0.0159(6) 0.4649(2) 0.1947(6) 0.0445 1.0000 Uani . . . . . .
C9 C 0.0305(5) 0.43377(19) 0.0242(5) 0.0335 1.0000 Uani . . . . . .
C10 C 0.0985(5) 0.4158(2) -0.0427(5) 0.0358 1.0000 Uani . . . . . .
C11 C 0.0475(6) 0.3979(2) -0.1556(5) 0.0451 1.0000 Uani . . . . . .
C12 C 0.1190(7) 0.3803(3) -0.2106(5) 0.0535 1.0000 Uani . . . . . .
C13 C 0.2375(6) 0.3808(3) -0.1534(5) 0.0493 1.0000 Uani . . . . . .
C14 C 0.2843(6) 0.4000(2) -0.0401(5) 0.0396 1.0000 Uani . . . . . .
C15 C -0.0709(4) 0.3032(2) -0.0042(4) 0.0325 1.0000 Uani . . . . . .
C16 C -0.0954(5) 0.2784(2) -0.1100(5) 0.0442 1.0000 Uani . . . . . .
C17 C -0.0081(5) 0.2612(2) -0.1441(5) 0.0427 1.0000 Uani . . . . . .
C18 C 0.1062(5) 0.2687(2) -0.0709(5) 0.0365 1.0000 Uani . . . . . .
C19 C 0.1260(4) 0.29258(19) 0.0340(4) 0.0260 1.0000 Uani . . . . . .
C20 C 0.2449(4) 0.3007(2) 0.1180(4) 0.0280 1.0000 Uani . . . . . .
C21 C 0.3781(4) 0.3252(2) 0.3001(4) 0.0324 1.0000 Uani . . . . . .
C22 C 0.3867(5) 0.3695(2) 0.3822(4) 0.0334 1.0000 Uani . . . . . .
C23 C 0.4584(5) 0.4528(2) 0.3745(5) 0.0369 1.0000 Uani . . . . . .
C24 C 0.4528(5) 0.5034(2) 0.3209(5) 0.0365 1.0000 Uani . . . . . .
C25 C 0.5366(6) 0.5404(2) 0.3731(6) 0.0484 1.0000 Uani . . . . . .
C26 C 0.5262(7) 0.5881(3) 0.3172(7) 0.0601 1.0000 Uani . . . . . .
C27 C 0.4355(7) 0.5953(2) 0.2152(6) 0.0587 1.0000 Uani . . . . . .
C28 C 0.3535(6) 0.5565(2) 0.1678(6) 0.0489 1.0000 Uani . . . . . .
C29 C 0.1034(6) 0.2058(2) 0.2756(6) 0.0442 1.0000 Uani . . . . . .
C30 C 0.0251(6) 0.1617(3) 0.2097(6) 0.0562 1.0000 Uani . . . . . .
C31 C 0.2246(6) 0.1866(3) 0.3465(7) 0.0550 1.0000 Uani . . . . . .
C32 C 0.4140(5) 0.4020(3) 0.0255(5) 0.0482 1.0000 Uani . . . . . .
C33 C 0.4789(8) 0.3543(3) 0.0075(9) 0.0785 1.0000 Uani . . . . . .
C34 C 0.4664(7) 0.4502(3) -0.0018(7) 0.0683 1.0000 Uani . . . . . .
C35 C -0.1643(5) 0.3234(2) 0.0344(5) 0.0409 1.0000 Uani . . . . . .
C36 C -0.2556(5) 0.3535(3) -0.0617(6) 0.0473 1.0000 Uani . . . . . .
C37 C -0.2192(6) 0.2793(3) 0.0782(7) 0.0555 1.0000 Uani . . . . . .
C38 C 0.2511(6) 0.5636(3) 0.0573(5) 0.0515 1.0000 Uani . . . . . .
C39 C 0.1506(8) 0.5884(4) 0.0784(8) 0.0824 1.0000 Uani . . . . . .
C40 C 0.2807(8) 0.5914(4) -0.0355(7) 0.0762 1.0000 Uani . . . . . .
C41 C 0.6701(5) 0.3108(2) 0.4455(5) 0.0341 1.0000 Uani . . . . . .
C42 C 0.6826(5) 0.3333(3) 0.3510(5) 0.0420 1.0000 Uani . . . . . .
C43 C 0.7270(5) 0.3838(3) 0.3621(6) 0.0483 1.0000 Uani . . . . . .
C44 C 0.7611(6) 0.4091(2) 0.4671(6) 0.0470 1.0000 Uani . . . . . .
C45 C 0.7505(5) 0.3862(2) 0.5620(5) 0.0398 1.0000 Uani . . . . . .
C46 C 0.7054(4) 0.3361(2) 0.5522(4) 0.0290 1.0000 Uani . . . . . .
C47 C 0.7746(5) 0.1682(2) 0.6184(4) 0.0344 1.0000 Uani . . . . . .
C48 C 0.8721(5) 0.1381(2) 0.6507(5) 0.0411 1.0000 Uani . . . . . .
C49 C 0.8596(7) 0.0861(2) 0.6218(6) 0.0531 1.0000 Uani . . . . . .
C50 C 0.7506(8) 0.0659(3) 0.5604(6) 0.0589 1.0000 Uani . . . . . .
C51 C 0.6509(6) 0.0966(2) 0.5267(5) 0.0475 1.0000 Uani . . . . . .
C52 C 0.6649(5) 0.1480(2) 0.5595(5) 0.0353 1.0000 Uani . . . . . .
C53 C 0.5166(4) 0.2409(2) 0.7342(4) 0.0285 1.0000 Uani . . . . . .
C54 C 0.4841(5) 0.2303(2) 0.8264(5) 0.0380 1.0000 Uani . . . . . .
C55 C 0.3693(5) 0.2374(3) 0.8164(5) 0.0459 1.0000 Uani . . . . . .
C56 C 0.2874(5) 0.2546(3) 0.7130(5) 0.0462 1.0000 Uani . . . . . .
C57 C 0.3197(5) 0.2661(2) 0.6202(5) 0.0389 1.0000 Uani . . . . . .
C58 C 0.4339(5) 0.25882(18) 0.6309(4) 0.0313 1.0000 Uani . . . . . .
C59 C 0.8251(5) 0.5437(2) 0.6470(5) 0.0366 1.0000 Uani . . . . . .
C60 C 0.8463(6) 0.5609(2) 0.5530(5) 0.0451 1.0000 Uani . . . . . .
C61 C 0.9579(7) 0.5566(3) 0.5505(6) 0.0558 1.0000 Uani . . . . . .
C62 C 1.0462(7) 0.5360(3) 0.6434(7) 0.0572 1.0000 Uani . . . . . .
C63 C 1.0254(6) 0.5180(2) 0.7386(6) 0.0500 1.0000 Uani . . . . . .
C64 C 0.9142(5) 0.5214(2) 0.7407(5) 0.0364 1.0000 Uani . . . . . .
C65 C 0.7802(5) 0.5888(2) 0.9734(5) 0.0436 1.0000 Uani . . . . . .
C66 C 0.8030(6) 0.6329(3) 1.0418(7) 0.0628 1.0000 Uani . . . . . .
C67 C 0.8076(8) 0.6302(4) 1.1524(8) 0.0784 1.0000 Uani . . . . . .
C68 C 0.7905(7) 0.5837(4) 1.1969(6) 0.0759 1.0000 Uani . . . . . .
C69 C 0.7669(6) 0.5382(3) 1.1306(6) 0.0573 1.0000 Uani . . . . . .
C70 C 0.7648(5) 0.5417(2) 1.0213(5) 0.0387 1.0000 Uani . . . . . .
C71 C 0.5082(5) 0.4987(2) 0.7241(5) 0.0324 1.0000 Uani . . . . . .
C72 C 0.3887(5) 0.4995(2) 0.6933(5) 0.0422 1.0000 Uani . . . . . .
C73 C 0.3283(6) 0.4529(3) 0.6561(6) 0.0478 1.0000 Uani . . . . . .
C74 C 0.3880(6) 0.4085(2) 0.6512(5) 0.0445 1.0000 Uani . . . . . .
C75 C 0.5073(6) 0.4081(2) 0.6820(5) 0.0376 1.0000 Uani . . . . . .
C76 C 0.5682(5) 0.4539(2) 0.7187(5) 0.0327 1.0000 Uani . . . . . .
C77 C 0.5517(7) 0.1664(3) 0.2533(6) 0.0599 1.0000 Uani . . . . . .
H21 H 0.0024(6) 0.1737(2) 0.4253(6) 0.0508 1.0000 Uiso R . . . . .
H31 H -0.0776(5) 0.2227(3) 0.5389(5) 0.0592 1.0000 Uiso R . . . . .
H41 H -0.0653(5) 0.3165(2) 0.5330(5) 0.0480 1.0000 Uiso R . . . . .
H61 H 0.0013(4) 0.3952(2) 0.4519(5) 0.0355 1.0000 Uiso R . . . . .
H71 H 0.0308(5) 0.4630(2) 0.3669(5) 0.0494 1.0000 Uiso R . . . . .
H72 H 0.1546(5) 0.4561(2) 0.3489(5) 0.0494 1.0000 Uiso R . . . . .
H81 H 0.0086(6) 0.5033(2) 0.1924(6) 0.0563 1.0000 Uiso R . . . . .
H82 H -0.0631(6) 0.4491(2) 0.1601(6) 0.0563 1.0000 Uiso R . . . . .
H91 H -0.0564(5) 0.43462(19) -0.0107(5) 0.0370 1.0000 Uiso R . . . . .
H111 H -0.0390(6) 0.3974(2) -0.1951(5) 0.0500 1.0000 Uiso R . . . . .
H121 H 0.0845(7) 0.3673(3) -0.2916(5) 0.0607 1.0000 Uiso R . . . . .
H131 H 0.2905(6) 0.3686(3) -0.1928(5) 0.0597 1.0000 Uiso R . . . . .
H161 H -0.1783(5) 0.2728(2) -0.1610(5) 0.0511 1.0000 Uiso R . . . . .
H171 H -0.0267(5) 0.2436(2) -0.2201(5) 0.0462 1.0000 Uiso R . . . . .
H181 H 0.1724(5) 0.2571(2) -0.0932(5) 0.0421 1.0000 Uiso R . . . . .
H201 H 0.3140(4) 0.2911(2) 0.0985(4) 0.0335 1.0000 Uiso R . . . . .
H211 H 0.4320(4) 0.3319(2) 0.2581(4) 0.0349 1.0000 Uiso R . . . . .
H212 H 0.4009(4) 0.2925(2) 0.3449(4) 0.0349 1.0000 Uiso R . . . . .
H221 H 0.4622(5) 0.3674(2) 0.4490(4) 0.0389 1.0000 Uiso R . . . . .
H222 H 0.3208(5) 0.3667(2) 0.4106(4) 0.0389 1.0000 Uiso R . . . . .
H231 H 0.5228(5) 0.4444(2) 0.4487(5) 0.0421 1.0000 Uiso R . . . . .
H251 H 0.6022(6) 0.5332(2) 0.4473(6) 0.0526 1.0000 Uiso R . . . . .
H261 H 0.5842(7) 0.6160(3) 0.3518(7) 0.0697 1.0000 Uiso R . . . . .
H271 H 0.4269(7) 0.6293(2) 0.1751(6) 0.0656 1.0000 Uiso R . . . . .
H291 H 0.1101(6) 0.2310(2) 0.2175(6) 0.0530 1.0000 Uiso R . . . . .
H301 H 0.0624(6) 0.1435(3) 0.1613(6) 0.0573 1.0000 Uiso R . . . . .
H302 H -0.0520(6) 0.1757(3) 0.1591(6) 0.0573 1.0000 Uiso R . . . . .
H303 H 0.0138(6) 0.1369(3) 0.2662(6) 0.0573 1.0000 Uiso R . . . . .
H311 H 0.2564(6) 0.1677(3) 0.2945(7) 0.0646 1.0000 Uiso R . . . . .
H312 H 0.2767(6) 0.2162(3) 0.3831(7) 0.0646 1.0000 Uiso R . . . . .
H313 H 0.2202(6) 0.1628(3) 0.4079(7) 0.0646 1.0000 Uiso R . . . . .
H321 H 0.4253(5) 0.4022(3) 0.1092(5) 0.0583 1.0000 Uiso R . . . . .
H331 H 0.5641(8) 0.3578(3) 0.0530(9) 0.0955 1.0000 Uiso R . . . . .
H332 H 0.4660(8) 0.3516(3) -0.0764(9) 0.0955 1.0000 Uiso R . . . . .
H333 H 0.4485(8) 0.3227(3) 0.0327(9) 0.0955 1.0000 Uiso R . . . . .
H341 H 0.5521(7) 0.4509(3) 0.0425(7) 0.0786 1.0000 Uiso R . . . . .
H342 H 0.4295(7) 0.4809(3) 0.0195(7) 0.0786 1.0000 Uiso R . . . . .
H343 H 0.4513(7) 0.4510(3) -0.0863(7) 0.0786 1.0000 Uiso R . . . . .
H351 H -0.1289(5) 0.3478(2) 0.1000(5) 0.0489 1.0000 Uiso R . . . . .
H361 H -0.3169(5) 0.3667(3) -0.0339(6) 0.0538 1.0000 Uiso R . . . . .
H362 H -0.2174(5) 0.3831(3) -0.0852(6) 0.0538 1.0000 Uiso R . . . . .
H363 H -0.2920(5) 0.3303(3) -0.1293(6) 0.0538 1.0000 Uiso R . . . . .
H371 H -0.2810(6) 0.2930(3) 0.1046(7) 0.0729 1.0000 Uiso R . . . . .
H372 H -0.1578(6) 0.2618(3) 0.1440(7) 0.0729 1.0000 Uiso R . . . . .
H373 H -0.2543(6) 0.2540(3) 0.0143(7) 0.0729 1.0000 Uiso R . . . . .
H381 H 0.2247(6) 0.5287(3) 0.0246(5) 0.0579 1.0000 Uiso R . . . . .
H391 H 0.0836(8) 0.5927(4) 0.0038(8) 0.0913 1.0000 Uiso R . . . . .
H392 H 0.1754(8) 0.6228(4) 0.1148(8) 0.0913 1.0000 Uiso R . . . . .
H393 H 0.1266(8) 0.5661(4) 0.1314(8) 0.0913 1.0000 Uiso R . . . . .
H401 H 0.2099(8) 0.5952(4) -0.1070(7) 0.0888 1.0000 Uiso R . . . . .
H402 H 0.3120(8) 0.6263(4) -0.0062(7) 0.0888 1.0000 Uiso R . . . . .
H403 H 0.3412(8) 0.5713(4) -0.0532(7) 0.0888 1.0000 Uiso R . . . . .
H421 H 0.6618(5) 0.3140(3) 0.2767(5) 0.0534 1.0000 Uiso R . . . . .
H431 H 0.7326(5) 0.4018(3) 0.2933(6) 0.0575 1.0000 Uiso R . . . . .
H441 H 0.7941(6) 0.4446(2) 0.4741(6) 0.0598 1.0000 Uiso R . . . . .
H451 H 0.7735(5) 0.4048(2) 0.6372(5) 0.0497 1.0000 Uiso R . . . . .
H481 H 0.9504(5) 0.1532(2) 0.6941(5) 0.0516 1.0000 Uiso R . . . . .
H491 H 0.9296(7) 0.0633(2) 0.6451(6) 0.0677 1.0000 Uiso R . . . . .
H501 H 0.7436(8) 0.0284(3) 0.5409(6) 0.0703 1.0000 Uiso R . . . . .
H511 H 0.5726(6) 0.0822(2) 0.4807(5) 0.0581 1.0000 Uiso R . . . . .
H541 H 0.5429(5) 0.2170(2) 0.9000(5) 0.0438 1.0000 Uiso R . . . . .
H551 H 0.3458(5) 0.2304(3) 0.8838(5) 0.0584 1.0000 Uiso R . . . . .
H561 H 0.2044(5) 0.2588(3) 0.7054(5) 0.0585 1.0000 Uiso R . . . . .
H571 H 0.2615(5) 0.2796(2) 0.5466(5) 0.0445 1.0000 Uiso R . . . . .
H601 H 0.7820(6) 0.5761(2) 0.4861(5) 0.0549 1.0000 Uiso R . . . . .
H611 H 0.9738(7) 0.5686(3) 0.4813(6) 0.0711 1.0000 Uiso R . . . . .
H621 H 1.1266(7) 0.5338(3) 0.6421(7) 0.0727 1.0000 Uiso R . . . . .
H631 H 1.0894(6) 0.5030(2) 0.8062(6) 0.0632 1.0000 Uiso R . . . . .
H661 H 0.8174(6) 0.6663(3) 1.0096(7) 0.0697 1.0000 Uiso R . . . . .
H671 H 0.8241(8) 0.6621(4) 1.2007(8) 0.0827 1.0000 Uiso R . . . . .
H681 H 0.7922(7) 0.5827(4) 1.2778(6) 0.0881 1.0000 Uiso R . . . . .
H691 H 0.7536(6) 0.5045(3) 1.1628(6) 0.0693 1.0000 Uiso R . . . . .
H721 H 0.3474(5) 0.5321(2) 0.6975(5) 0.0496 1.0000 Uiso R . . . . .
H731 H 0.2420(6) 0.4522(3) 0.6349(6) 0.0556 1.0000 Uiso R . . . . .
H741 H 0.3435(6) 0.3759(2) 0.6238(5) 0.0538 1.0000 Uiso R . . . . .
H751 H 0.5499(6) 0.3758(2) 0.6780(5) 0.0488 1.0000 Uiso R . . . . .
H771 H 0.5427(7) 0.1828(3) 0.3222(6) 0.0716 1.0000 Uiso R . . . . .
H772 H 0.5120(7) 0.1321(3) 0.2389(6) 0.0716 1.0000 Uiso R . . . . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
As1 . O1 . 1.840(4) yes
As1 . O2 . 1.835(4) yes
As1 . O3 . 1.830(3) yes
As1 . O4 . 1.830(4) yes
As1 . O5 . 1.838(3) yes
As1 . O6 . 1.841(4) yes
As2 . O7 . 1.833(4) yes
As2 . O8 . 1.845(4) yes
As2 . O9 . 1.828(4) yes
As2 . O10 . 1.836(4) yes
As2 . O11 . 1.828(4) yes
As2 . O12 . 1.832(4) yes
Cu1 . Cu2 . 3.6631(9) yes
Cu1 . N1 . 2.086(4) yes
Cu1 . N2 . 2.015(4) yes
Cu1 . N5 . 2.083(4) yes
Cu1 . N6 . 2.002(4) yes
Cu2 . N3 . 2.015(4) yes
Cu2 . N4 . 2.059(5) yes
Cu2 . N7 . 2.020(4) yes
Cu2 . N8 . 2.072(5) yes
Cl1 . C77 . 1.761(7) yes
Cl2 . C77 . 1.725(9) yes
O1 . C41 . 1.364(7) yes
O2 . C46 . 1.358(6) yes
O3 . C47 . 1.385(6) yes
O4 . C52 . 1.370(7) yes
O5 . C53 . 1.344(6) yes
O6 . C58 . 1.352(7) yes
O7 . C59 . 1.346(8) yes
O8 . C64 . 1.358(7) yes
O9 . C65 . 1.345(8) yes
O10 . C70 . 1.366(7) yes
O11 . C71 . 1.366(6) yes
O12 . C76 . 1.352(7) yes
N1 . C1 . 1.361(7) yes
N1 . C5 . 1.354(7) yes
N2 . C6 . 1.262(7) yes
N2 . C7 . 1.489(7) yes
N3 . C8 . 1.458(8) yes
N3 . C9 . 1.273(7) yes
N4 . C10 . 1.364(7) yes
N4 . C14 . 1.320(8) yes
N5 . C15 . 1.357(6) yes
N5 . C19 . 1.329(7) yes
N6 . C20 . 1.262(7) yes
N6 . C21 . 1.480(6) yes
N7 . C22 . 1.466(7) yes
N7 . C23 . 1.282(7) yes
N8 . C24 . 1.345(7) yes
N8 . C28 . 1.337(8) yes
C1 . C2 . 1.388(8) yes
C1 . C29 . 1.495(8) yes
C2 . C3 . 1.369(9) yes
C2 . H21 . 1.000 no
C3 . C4 . 1.408(9) yes
C3 . H31 . 1.000 no
C4 . C5 . 1.363(8) yes
C4 . H41 . 1.000 no
C5 . C6 . 1.467(8) yes
C6 . H61 . 1.000 no
C7 . C8 . 1.527(9) yes
C7 . H71 . 1.000 no
C7 . H72 . 1.000 no
C8 . H81 . 1.000 no
C8 . H82 . 1.000 no
C9 . C10 . 1.458(9) yes
C9 . H91 . 1.000 no
C10 . C11 . 1.393(8) yes
C11 . C12 . 1.378(10) yes
C11 . H111 . 1.000 no
C12 . C13 . 1.374(10) yes
C12 . H121 . 1.000 no
C13 . C14 . 1.407(9) yes
C13 . H131 . 1.000 no
C14 . C32 . 1.511(9) yes
C15 . C16 . 1.398(8) yes
C15 . C35 . 1.496(8) yes
C16 . C17 . 1.368(9) yes
C16 . H161 . 1.000 no
C17 . C18 . 1.387(8) yes
C17 . H171 . 1.000 no
C18 . C19 . 1.385(7) yes
C18 . H181 . 1.000 no
C19 . C20 . 1.474(7) yes
C20 . H201 . 1.000 no
C21 . C22 . 1.517(7) yes
C21 . H211 . 1.000 no
C21 . H212 . 1.000 no
C22 . H221 . 1.000 no
C22 . H222 . 1.000 no
C23 . C24 . 1.463(8) yes
C23 . H231 . 1.000 no
C24 . C25 . 1.390(8) yes
C25 . C26 . 1.403(10) yes
C25 . H251 . 1.000 no
C26 . C27 . 1.366(10) yes
C26 . H261 . 1.000 no
C27 . C28 . 1.398(9) yes
C27 . H271 . 1.000 no
C28 . C38 . 1.503(9) yes
C29 . C30 . 1.532(9) yes
C29 . C31 . 1.518(9) yes
C29 . H291 . 1.000 no
C30 . H301 . 1.000 no
C30 . H302 . 1.000 no
C30 . H303 . 1.000 no
C31 . H311 . 1.000 no
C31 . H312 . 1.000 no
C31 . H313 . 1.000 no
C32 . C33 . 1.535(11) yes
C32 . C34 . 1.503(10) yes
C32 . H321 . 1.000 no
C33 . H331 . 1.000 no
C33 . H332 . 1.000 no
C33 . H333 . 1.000 no
C34 . H341 . 1.000 no
C34 . H342 . 1.000 no
C34 . H343 . 1.000 no
C35 . C36 . 1.527(8) yes
C35 . C37 . 1.529(9) yes
C35 . H351 . 1.000 no
C36 . H361 . 1.000 no
C36 . H362 . 1.000 no
C36 . H363 . 1.000 no
C37 . H371 . 1.000 no
C37 . H372 . 1.000 no
C37 . H373 . 1.000 no
C38 . C39 . 1.502(12) yes
C38 . C40 . 1.515(10) yes
C38 . H381 . 1.000 no
C39 . H391 . 1.000 no
C39 . H392 . 1.000 no
C39 . H393 . 1.000 no
C40 . H401 . 1.000 no
C40 . H402 . 1.000 no
C40 . H403 . 1.000 no
C41 . C42 . 1.373(8) yes
C41 . C46 . 1.402(8) yes
C42 . C43 . 1.409(9) yes
C42 . H421 . 1.000 no
C43 . C44 . 1.384(10) yes
C43 . H431 . 1.000 no
C44 . C45 . 1.370(9) yes
C44 . H441 . 1.000 no
C45 . C46 . 1.402(8) yes
C45 . H451 . 1.000 no
C47 . C48 . 1.367(8) yes
C47 . C52 . 1.387(8) yes
C48 . C49 . 1.392(9) yes
C48 . H481 . 1.000 no
C49 . C50 . 1.387(11) yes
C49 . H491 . 1.000 no
C50 . C51 . 1.397(10) yes
C50 . H501 . 1.000 no
C51 . C52 . 1.388(8) yes
C51 . H511 . 1.000 no
C53 . C54 . 1.374(7) yes
C53 . C58 . 1.399(7) yes
C54 . C55 . 1.389(8) yes
C54 . H541 . 1.000 no
C55 . C56 . 1.390(9) yes
C55 . H551 . 1.000 no
C56 . C57 . 1.385(9) yes
C56 . H561 . 1.000 no
C57 . C58 . 1.380(8) yes
C57 . H571 . 1.000 no
C59 . C60 . 1.364(9) yes
C59 . C64 . 1.404(8) yes
C60 . C61 . 1.393(10) yes
C60 . H601 . 1.000 no
C61 . C62 . 1.377(11) yes
C61 . H611 . 1.000 no
C62 . C63 . 1.383(10) yes
C62 . H621 . 1.000 no
C63 . C64 . 1.385(9) yes
C63 . H631 . 1.000 no
C65 . C66 . 1.392(9) yes
C65 . C70 . 1.406(9) yes
C66 . C67 . 1.359(12) yes
C66 . H661 . 1.000 no
C67 . C68 . 1.379(14) yes
C67 . H671 . 1.000 no
C68 . C69 . 1.410(12) yes
C68 . H681 . 1.000 no
C69 . C70 . 1.355(9) yes
C69 . H691 . 1.000 no
C71 . C72 . 1.382(8) yes
C71 . C76 . 1.394(8) yes
C72 . C73 . 1.407(9) yes
C72 . H721 . 1.000 no
C73 . C74 . 1.382(9) yes
C73 . H731 . 1.000 no
C74 . C75 . 1.380(9) yes
C74 . H741 . 1.000 no
C75 . C76 . 1.393(8) yes
C75 . H751 . 1.000 no
C77 . H771 . 1.000 no
C77 . H772 . 1.000 no
