#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/05/4300523.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_4300523
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_formula_moiety         ' C40 H52 Ag2 N8, 2(F6 P), C2 H3 N '
_chemical_formula_sum            'C42 H55 Ag2 F12 N9 P2'
_chemical_formula_weight         1191.62
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                100.777(2)
_cell_angle_beta                 92.512(2)
_cell_angle_gamma                108.916(2)
_cell_formula_units_Z            2
_cell_length_a                   11.2078(3)
_cell_length_b                   14.3947(5)
_cell_length_c                   16.2084(6)
_cell_measurement_temperature    200
_cell_volume                     2414.70(14)
_diffrn_ambient_temperature      200
_exptl_crystal_density_diffrn    1.639
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_formula_sum        ' C42 H55 Ag2 F12 N9 P2 '
_cod_database_code               4300523
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-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_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
Ag2 Ag 0.53964(5) 0.22096(4) 0.62682(3) 0.0496 1.0000 Uani . . . . . .
Ag1 Ag 0.72824(5) 0.22164(4) 0.77873(3) 0.0514 1.0000 Uani . . . . . .
P1 P 0.89011(18) 0.19010(15) 0.33132(12) 0.0594 1.0000 Uani . . . . . .
P2 P 0.6501(2) 0.80963(16) 0.93017(14) 0.0681 1.0000 Uani . . . . . .
F1 F 0.8775(9) 0.2461(9) 0.2609(7) 0.1931 1.0000 Uani . . . . . .
F2 F 0.9916(8) 0.1636(8) 0.2838(5) 0.1693 1.0000 Uani . . . . . .
F3 F 0.9872(11) 0.2881(8) 0.3796(8) 0.2333 1.0000 Uani . . . . . .
F4 F 0.7928(8) 0.2274(6) 0.3799(5) 0.1448 1.0000 Uani . . . . . .
F5 F 0.7794(8) 0.1025(8) 0.2833(7) 0.2164 1.0000 Uani . . . . . .
F6 F 0.9053(9) 0.1371(8) 0.4003(5) 0.1662 1.0000 Uani . . . . . .
F7 F 0.7036(14) 0.7297(8) 0.9409(7) 0.2327 1.0000 Uani . . . . . .
F8 F 0.5312(10) 0.7475(7) 0.9618(7) 0.1962 1.0000 Uani . . . . . .
F9 F 0.7035(6) 0.8696(4) 1.0207(3) 0.1020 1.0000 Uani . . . . . .
F10 F 0.7691(6) 0.8676(9) 0.8939(5) 0.1828 1.0000 Uani . . . . . .
F11 F 0.5968(9) 0.7533(6) 0.8355(5) 0.1564 1.0000 Uani . . . . . .
F12 F 0.5815(7) 0.8835(5) 0.9133(4) 0.1244 1.0000 Uani . . . . . .
N1 N 0.8185(4) 0.4046(3) 0.8240(3) 0.0420 1.0000 Uani . . . . . .
N2 N 0.8437(4) 0.2804(4) 0.6773(3) 0.0439 1.0000 Uani . . . . . .
N3 N 0.6412(5) 0.1356(3) 0.5448(3) 0.0441 1.0000 Uani . . . . . .
N4 N 0.4046(5) 0.1404(4) 0.4879(3) 0.0484 1.0000 Uani . . . . . .
N5 N 0.7941(6) 0.1413(4) 0.8859(4) 0.0575 1.0000 Uani . . . . . .
N6 N 0.5536(5) 0.1377(4) 0.8313(3) 0.0493 1.0000 Uani . . . . . .
N7 N 0.4702(4) 0.2782(4) 0.7486(3) 0.0463 1.0000 Uani . . . . . .
N8 N 0.6028(4) 0.4017(4) 0.6461(3) 0.0436 1.0000 Uani . . . . . .
N9 N 0.2308(13) 0.4607(11) 0.7419(7) 0.1327 1.0000 Uani . U . . . .
C1 C 0.8021(5) 0.4666(5) 0.8921(4) 0.0466 1.0000 Uani . . . . . .
C2 C 0.8532(7) 0.5715(5) 0.9009(4) 0.0554 1.0000 Uani . . . . . .
C3 C 0.9214(7) 0.6110(5) 0.8402(5) 0.0595 1.0000 Uani . . . . . .
C4 C 0.9394(6) 0.5478(5) 0.7705(4) 0.0530 1.0000 Uani . . . . . .
C5 C 0.8854(5) 0.4441(5) 0.7643(4) 0.0442 1.0000 Uani . . . . . .
C6 C 0.8979(6) 0.3747(5) 0.6904(4) 0.0481 1.0000 Uani . . . . . .
C7 C 0.8666(6) 0.2171(5) 0.6012(4) 0.0512 1.0000 Uani . . . . . .
C8 C 0.7577(6) 0.1195(5) 0.5726(4) 0.0516 1.0000 Uani . . . . . .
C9 C 0.5965(6) 0.1023(5) 0.4671(4) 0.0491 1.0000 Uani . . . . . .
C10 C 0.4797(6) 0.1135(4) 0.4328(4) 0.0490 1.0000 Uani . . . . . .
C11 C 0.4507(7) 0.0948(5) 0.3457(5) 0.0614 1.0000 Uani . . . . . .
C12 C 0.3391(8) 0.1048(6) 0.3146(5) 0.0698 1.0000 Uani . . . . . .
C13 C 0.2607(8) 0.1301(6) 0.3700(5) 0.0699 1.0000 Uani . . . . . .
C14 C 0.2937(6) 0.1478(5) 0.4577(5) 0.0566 1.0000 Uani . . . . . .
C15 C 0.9088(8) 0.1454(6) 0.9167(6) 0.0715 1.0000 Uani D . . . . .
C16 C 0.9356(9) 0.1343(6) 0.9986(6) 0.0805 1.0000 Uani . . . . . .
C17 C 0.8399(9) 0.1177(6) 1.0490(6) 0.0795 1.0000 Uani . . . . . .
C18 C 0.7206(8) 0.1107(5) 1.0189(5) 0.0653 1.0000 Uani . . . . . .
C19 C 0.6999(7) 0.1220(5) 0.9363(4) 0.0550 1.0000 Uani . . . . . .
C20 C 0.5728(7) 0.1097(5) 0.8998(5) 0.0554 1.0000 Uani . . . . . .
C21 C 0.4232(6) 0.1189(5) 0.7987(4) 0.0549 1.0000 Uani . . . . . .
C22 C 0.3949(6) 0.2149(5) 0.8028(4) 0.0544 1.0000 Uani . . . . . .
C23 C 0.4969(6) 0.3730(5) 0.7699(4) 0.0478 1.0000 Uani . . . . . .
C24 C 0.5688(5) 0.4421(5) 0.7201(4) 0.0454 1.0000 Uani . . . . . .
C25 C 0.6031(7) 0.5447(5) 0.7493(4) 0.0547 1.0000 Uani . . . . . .
C26 C 0.6733(7) 0.6076(5) 0.7018(5) 0.0632 1.0000 Uani . . . . . .
C27 C 0.7096(6) 0.5667(5) 0.6275(4) 0.0545 1.0000 Uani . . . . . .
C28 C 0.6703(5) 0.4628(4) 0.5994(4) 0.0445 1.0000 Uani . . . . . .
C29 C 0.7316(6) 0.4171(5) 0.9573(4) 0.0517 1.0000 Uani . . . . . .
C30 C 0.8239(8) 0.3955(6) 1.0170(5) 0.0648 1.0000 Uani . . . . . .
C31 C 0.6583(7) 0.4764(6) 1.0074(5) 0.0680 1.0000 Uani . . . . . .
C32 C 0.2063(8) 0.1736(7) 0.5196(6) 0.0798 1.0000 Uani . . . . . .
C33 C 0.2577(9) 0.2827(6) 0.5625(5) 0.0788 1.0000 Uani . . . . . .
C34 C 0.1727(13) 0.1073(8) 0.5772(9) 0.1248 1.0000 Uani . . . . . .
C39 C 0.6982(6) 0.4117(5) 0.5158(4) 0.0533 1.0000 Uani . . . . . .
C40 C 0.5889(7) 0.3916(6) 0.4485(4) 0.0658 1.0000 Uani . . . . . .
C41 C 0.2687(13) 0.5445(14) 0.7561(8) 0.1109 1.0000 Uani . U . . . .
C42 C 0.3125(13) 0.6522(12) 0.7769(7) 0.1210 1.0000 Uani . U . . . .
C43 C 0.8236(7) 0.4704(6) 0.4881(5) 0.0673 1.0000 Uani . . . . . .
C350 C 0.9868(14) 0.1532(10) 0.8367(10) 0.061(3) 0.441(11) Uiso D . P . . .
C351 C 1.0262(11) 0.1652(8) 0.8705(8) 0.061(3) 0.559(11) Uiso D . P . . .
C360 C 1.086(2) 0.2584(14) 0.8540(16) 0.079(3) 0.441(11) Uiso D . P . . .
C361 C 1.0580(18) 0.2684(12) 0.8468(13) 0.079(3) 0.559(11) Uiso D . P . . .
C370 C 1.0451(18) 0.0697(13) 0.8224(13) 0.078(3) 0.441(11) Uiso D . P . . .
C371 C 0.9855(15) 0.0850(11) 0.7869(9) 0.078(3) 0.559(11) Uiso D . P . . .
H21 H 0.8395(7) 0.6170(5) 0.9514(4) 0.0657 1.0000 Uiso R . . . . .
H31 H 0.9582(7) 0.6855(5) 0.8464(5) 0.0683 1.0000 Uiso R . . . . .
H41 H 0.9895(6) 0.5752(5) 0.7256(4) 0.0630 1.0000 Uiso R . . . . .
H61 H 0.9522(6) 0.4029(5) 0.6475(4) 0.0588 1.0000 Uiso R . . . . .
H71 H 0.9454(6) 0.2019(5) 0.6142(4) 0.0613 1.0000 Uiso R . . . . .
H72 H 0.8783(6) 0.2549(5) 0.5545(4) 0.0613 1.0000 Uiso R . . . . .
H81 H 0.7416(6) 0.0843(5) 0.6208(4) 0.0637 1.0000 Uiso R . . . . .
H82 H 0.7811(6) 0.0766(5) 0.5246(4) 0.0637 1.0000 Uiso R . . . . .
H91 H 0.6426(6) 0.0672(5) 0.4281(4) 0.0590 1.0000 Uiso R . . . . .
H111 H 0.5087(7) 0.0747(5) 0.3065(5) 0.0714 1.0000 Uiso R . . . . .
H121 H 0.3163(8) 0.0936(6) 0.2523(5) 0.0822 1.0000 Uiso R . . . . .
H131 H 0.1793(8) 0.1361(6) 0.3481(5) 0.0834 1.0000 Uiso R . . . . .
H161 H 1.0227(9) 0.1384(6) 1.0197(6) 0.0936 1.0000 Uiso R . . . . .
H171 H 0.8569(9) 0.1106(6) 1.1082(6) 0.0929 1.0000 Uiso R . . . . .
H181 H 0.6496(8) 0.0978(5) 1.0552(5) 0.0783 1.0000 Uiso R . . . . .
H201 H 0.4983(7) 0.0783(5) 0.9292(5) 0.0661 1.0000 Uiso R . . . . .
H211 H 0.3650(6) 0.0770(5) 0.8331(4) 0.0632 1.0000 Uiso R . . . . .
H212 H 0.4081(6) 0.0816(5) 0.7385(4) 0.0632 1.0000 Uiso R . . . . .
H221 H 0.4144(6) 0.2538(5) 0.8626(4) 0.0649 1.0000 Uiso R . . . . .
H222 H 0.3027(6) 0.1977(5) 0.7839(4) 0.0649 1.0000 Uiso R . . . . .
H231 H 0.4674(6) 0.4014(5) 0.8230(4) 0.0609 1.0000 Uiso R . . . . .
H251 H 0.5771(7) 0.5727(5) 0.8040(4) 0.0662 1.0000 Uiso R . . . . .
H261 H 0.6978(7) 0.6821(5) 0.7210(5) 0.0745 1.0000 Uiso R . . . . .
H271 H 0.7644(6) 0.6117(5) 0.5937(4) 0.0663 1.0000 Uiso R . . . . .
H291 H 0.6660(6) 0.3531(5) 0.9260(4) 0.0607 1.0000 Uiso R . . . . .
H301 H 0.7769(8) 0.3623(6) 1.0606(5) 0.0831 1.0000 Uiso R . . . . .
H302 H 0.8910(8) 0.4601(6) 1.0455(5) 0.0831 1.0000 Uiso R . . . . .
H303 H 0.8643(8) 0.3501(6) 0.9840(5) 0.0831 1.0000 Uiso R . . . . .
H311 H 0.6138(7) 0.4387(6) 1.0494(5) 0.0844 1.0000 Uiso R . . . . .
H312 H 0.7186(7) 0.5434(6) 1.0377(5) 0.0844 1.0000 Uiso R . . . . .
H313 H 0.5944(7) 0.4862(6) 0.9679(5) 0.0844 1.0000 Uiso R . . . . .
H321 H 0.1237(8) 0.1619(7) 0.4862(6) 0.0945 1.0000 Uiso R . . . . .
H331 H 0.1986(9) 0.2982(6) 0.6031(5) 0.0955 1.0000 Uiso R . . . . .
H332 H 0.3430(9) 0.2979(6) 0.5938(5) 0.0955 1.0000 Uiso R . . . . .
H333 H 0.2659(9) 0.3249(6) 0.5191(5) 0.0955 1.0000 Uiso R . . . . .
H341 H 0.1150(13) 0.1283(8) 0.6161(9) 0.1644 1.0000 Uiso R . . . . .
H342 H 0.2514(13) 0.1106(8) 0.6110(9) 0.1644 1.0000 Uiso R . . . . .
H343 H 0.1286(13) 0.0369(8) 0.5449(9) 0.1644 1.0000 Uiso R . . . . .
H391 H 0.7071(6) 0.3469(5) 0.5237(4) 0.0670 1.0000 Uiso R . . . . .
H401 H 0.6071(7) 0.3577(6) 0.3932(4) 0.0743 1.0000 Uiso R . . . . .
H402 H 0.5787(7) 0.4567(6) 0.4429(4) 0.0743 1.0000 Uiso R . . . . .
H403 H 0.5089(7) 0.3472(6) 0.4652(4) 0.0743 1.0000 Uiso R . . . . .
H421 H 0.4071(13) 0.6832(12) 0.7855(7) 0.1521 1.0000 Uiso R . . . . .
H422 H 0.2772(13) 0.6824(12) 0.7353(7) 0.1521 1.0000 Uiso R . . . . .
H423 H 0.2791(13) 0.6678(12) 0.8321(7) 0.1521 1.0000 Uiso R . . . . .
H431 H 0.8364(7) 0.4327(6) 0.4327(5) 0.0819 1.0000 Uiso R . . . . .
H432 H 0.8948(7) 0.4793(6) 0.5316(5) 0.0819 1.0000 Uiso R . . . . .
H433 H 0.8219(7) 0.5378(6) 0.4818(5) 0.0819 1.0000 Uiso R . . . . .
H3501 H 0.9313(14) 0.1436(10) 0.7836(10) 0.0734 0.4413 Uiso R . . . . .
H3511 H 1.1008(11) 0.1632(8) 0.9055(8) 0.0734 0.5587 Uiso R . . . . .
H3601 H 1.137(2) 0.2660(14) 0.8049(16) 0.0937 0.4413 Uiso R . . . . .
H3602 H 1.144(2) 0.2683(14) 0.9062(16) 0.0937 0.4413 Uiso R . . . . .
H3603 H 1.043(2) 0.3097(14) 0.8622(16) 0.0937 0.4413 Uiso R . . . . .
H3611 H 1.1355(18) 0.2814(12) 0.8163(13) 0.0937 0.5587 Uiso R . . . . .
H3612 H 1.0743(18) 0.3219(12) 0.8993(13) 0.0937 0.5587 Uiso R . . . . .
H3613 H 0.9850(18) 0.2689(12) 0.8094(13) 0.0937 0.5587 Uiso R . . . . .
H3701 H 1.0939(18) 0.0746(13) 0.7723(13) 0.0939 0.4413 Uiso R . . . . .
H3702 H 1.1034(18) 0.0772(13) 0.8736(13) 0.0939 0.4413 Uiso R . . . . .
H3703 H 0.9759(18) 0.0029(13) 0.8120(13) 0.0939 0.4413 Uiso R . . . . .
H3711 H 1.0587(15) 0.0932(11) 0.7525(9) 0.0939 0.5587 Uiso R . . . . .
H3712 H 0.9582(15) 0.0164(11) 0.7999(9) 0.0939 0.5587 Uiso R . . . . .
H3713 H 0.9132(15) 0.0935(11) 0.7544(9) 0.0939 0.5587 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
Ag2 . Ag1 . 3.1706(7) yes
Ag2 . N3 . 2.237(5) yes
Ag2 . N4 . 2.508(5) yes
Ag2 . N7 . 2.263(5) yes
Ag2 . N8 . 2.419(5) yes
Ag1 . N1 . 2.446(5) yes
Ag1 . N2 . 2.256(5) yes
Ag1 . N5 . 2.468(6) yes
Ag1 . N6 . 2.240(5) yes
P1 . F1 . 1.541(8) yes
P1 . F2 . 1.510(6) yes
P1 . F3 . 1.518(8) yes
P1 . F4 . 1.547(7) yes
P1 . F5 . 1.507(7) yes
P1 . F6 . 1.499(6) yes
P2 . F7 . 1.492(8) yes
P2 . F8 . 1.515(8) yes
P2 . F9 . 1.540(5) yes
P2 . F10 . 1.533(7) yes
P2 . F11 . 1.584(7) yes
P2 . F12 . 1.554(6) yes
N1 . C1 . 1.343(8) yes
N1 . C5 . 1.347(8) yes
N2 . C6 . 1.265(8) yes
N2 . C7 . 1.476(7) yes
N3 . C8 . 1.464(8) yes
N3 . C9 . 1.277(8) yes
N4 . C10 . 1.343(8) yes
N4 . C14 . 1.361(8) yes
N5 . C15 . 1.338(10) yes
N5 . C19 . 1.352(9) yes
N6 . C20 . 1.281(9) yes
N6 . C21 . 1.452(8) yes
N7 . C22 . 1.476(8) yes
N7 . C23 . 1.273(8) yes
N8 . C24 . 1.357(7) yes
N8 . C28 . 1.337(7) yes
N9 . C41 . 1.115(17) yes
C1 . C2 . 1.406(9) yes
C1 . C29 . 1.496(9) yes
C2 . C3 . 1.367(10) yes
C2 . H21 . 1.000 no
C3 . C4 . 1.378(10) yes
C3 . H31 . 1.000 no
C4 . C5 . 1.399(9) yes
C4 . H41 . 1.000 no
C5 . C6 . 1.453(9) yes
C6 . H61 . 1.000 no
C7 . C8 . 1.509(9) yes
C7 . H71 . 1.000 no
C7 . H72 . 1.000 no
C8 . H81 . 1.000 no
C8 . H82 . 1.000 no
C9 . C10 . 1.468(9) yes
C9 . H91 . 1.000 no
C10 . C11 . 1.390(10) yes
C11 . C12 . 1.389(11) yes
C11 . H111 . 1.000 no
C12 . C13 . 1.366(11) yes
C12 . H121 . 1.000 no
C13 . C14 . 1.407(11) yes
C13 . H131 . 1.000 no
C14 . C32 . 1.511(10) yes
C15 . C16 . 1.398(12) yes
C15 . C350 . 1.595(13) yes
C15 . C351 . 1.515(12) yes
C16 . C17 . 1.363(12) yes
C16 . H161 . 1.000 no
C17 . C18 . 1.369(12) yes
C17 . H171 . 1.000 no
C18 . C19 . 1.397(10) yes
C18 . H181 . 1.000 no
C19 . C20 . 1.461(10) yes
C20 . H201 . 1.000 no
C21 . C22 . 1.506(10) yes
C21 . H211 . 1.000 no
C21 . H212 . 1.000 no
C22 . H221 . 1.000 no
C22 . H222 . 1.000 no
C23 . C24 . 1.458(9) yes
C23 . H231 . 1.000 no
C24 . C25 . 1.382(9) yes
C25 . C26 . 1.371(10) yes
C25 . H251 . 1.000 no
C26 . C27 . 1.377(10) yes
C26 . H261 . 1.000 no
C27 . C28 . 1.392(9) yes
C27 . H271 . 1.000 no
C28 . C39 . 1.513(9) yes
C29 . C30 . 1.529(10) yes
C29 . C31 . 1.522(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 . 1.501(11) yes
C32 . C34 . 1.433(13) 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
C39 . C40 . 1.520(10) yes
C39 . C43 . 1.523(9) yes
C39 . H391 . 1.000 no
C40 . H401 . 1.000 no
C40 . H402 . 1.000 no
C40 . H403 . 1.000 no
C41 . C42 . 1.433(19) yes
C42 . H421 . 1.000 no
C42 . H422 . 1.000 no
C42 . H423 . 1.000 no
C43 . H431 . 1.000 no
C43 . H432 . 1.000 no
C43 . H433 . 1.000 no
C350 . C360 . 1.527(16) yes
C350 . C370 . 1.530(15) yes
C350 . H3501 . 1.000 no
C351 . C361 . 1.537(15) yes
C351 . C371 . 1.549(14) yes
C351 . H3511 . 1.000 no
C360 . H3601 . 1.000 no
C360 . H3602 . 1.000 no
C360 . H3603 . 1.000 no
C361 . H3611 . 1.000 no
C361 . H3612 . 1.000 no
C361 . H3613 . 1.000 no
C370 . H3701 . 1.000 no
C370 . H3702 . 1.000 no
C370 . H3703 . 1.000 no
C371 . H3711 . 1.000 no
C371 . H3712 . 1.000 no
C371 . H3713 . 1.000 no
