# Electronic Supplementary Material for CrystEngComm
# This journal is (c) The Royal Society of Chemistry 2009

data_global
_journal_name_full               CrystEngComm

_journal_coden_Cambridge         1350

_publ_contact_author_name        'Ok-Sang Jung'
_publ_contact_author_email       OKSJUNG@PUSAN.AC.KR

_publ_section_title              
;
New 3D silver(I) coordination polymer topology.
Interpenetration of alternating perpendicular helical motifs
;
loop_
_publ_author_name
'Ok-Sang Jung'
'Youn Jung Choi'
'Young-A Lee'
'Tae Hwan Noh'
;
Yoon Kyong Ryu
;

# Attachment 'CYJ-2s.cif'

data_cyj-2s
_database_code_depnum_ccdc_archive 'CCDC 720473'

_audit_creation_method           SHELXTL
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H32 Ag Br4 F6 N4 O8 P'
_chemical_formula_weight         1197.12

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Tetragonal
_symmetry_space_group_name_H-M   P4(3)2(1)2

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y+1/2, x+1/2, z+3/4'
'y+1/2, -x+1/2, z+1/4'
'-x+1/2, y+1/2, -z+3/4'
'x+1/2, -y+1/2, -z+1/4'
'y, x, -z'
'-y, -x, -z+1/2'

_cell_length_a                   13.6263(2)
_cell_length_b                   13.6263(2)
_cell_length_c                   45.9922(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     8539.6(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    8828
_cell_measurement_theta_min      2.16
_cell_measurement_theta_max      21.48

_exptl_crystal_description       plate
_exptl_crystal_colour            colorles
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      0
_exptl_crystal_density_diffrn    1.862
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4672
_exptl_absorpt_coefficient_mu    4.331
_exptl_absorpt_correction_type   'empirical (SADABS)'
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  
;
Ratio of minimum to maximum apparent transmission: 0.724388
;
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            50479
_diffrn_reflns_av_R_equivalents  0.0749
_diffrn_reflns_av_sigmaI/netI    0.0644
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -56
_diffrn_reflns_limit_l_max       57
_diffrn_reflns_theta_min         1.56
_diffrn_reflns_theta_max         26.37
_reflns_number_total             8711
_reflns_number_gt                5983
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0495P)²+5.6151P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.003(11)
_refine_ls_number_reflns         8711
_refine_ls_number_parameters     564
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0887
_refine_ls_R_factor_gt           0.0445
_refine_ls_wR_factor_ref         0.1120
_refine_ls_wR_factor_gt          0.0948
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.79268(4) 0.77133(4) 0.251140(13) 0.04394(15) Uani 1 1 d . . .
Br1 Br 1.14840(7) 0.12092(6) 0.131688(19) 0.0655(3) Uani 1 1 d . . .
Br2 Br 0.85142(7) 0.12460(6) 0.127661(18) 0.0618(2) Uani 1 1 d . . .
Br3 Br 0.12840(6) 0.35563(6) 0.351776(18) 0.0542(2) Uani 1 1 d . A .
Br4 Br 0.11982(6) 0.66896(7) 0.35255(2) 0.0677(3) Uani 1 1 d . A .
O1 O 1.1434(3) 0.4801(4) 0.17070(11) 0.0532(14) Uani 1 1 d . . .
O2 O 1.0061(3) 0.4197(3) 0.15101(10) 0.0382(11) Uani 1 1 d . . .
O3 O 1.0063(3) 0.3775(3) 0.07752(10) 0.0405(11) Uani 1 1 d . . .
O4 O 0.8788(3) 0.4201(4) 0.05008(11) 0.0503(13) Uani 1 1 d . . .
O5 O 0.4795(12) 0.3815(10) 0.3067(3) 0.060(4) Uani 0.50 1 d P A 1
O5' O 0.4343(13) 0.4013(12) 0.2935(3) 0.067(5) Uani 0.50 1 d P A 2
O6 O 0.4155(3) 0.5127(3) 0.32940(10) 0.0399(12) Uani 1 1 d . A .
O7 O 0.3739(3) 0.5169(3) 0.40101(10) 0.0374(11) Uani 1 1 d . A .
O8 O 0.4192(4) 0.6496(3) 0.42588(11) 0.0573(16) Uani 1 1 d . A .
N1 N 0.8780(4) 0.6842(4) 0.21638(11) 0.0339(12) Uani 1 1 d . . .
N2 N 1.1708(4) 0.6122(4) 0.01261(12) 0.0392(13) Uani 1 1 d . . .
N3 N 0.6896(4) 0.6601(4) 0.27443(11) 0.0335(13) Uani 1 1 d . . .
N4 N 0.5964(4) 0.3700(4) 0.47392(11) 0.0367(13) Uani 1 1 d . . .
C1 C 0.9774(5) 0.6849(5) 0.21759(14) 0.0344(16) Uani 1 1 d . . .
H1 H 1.0085 0.7323 0.2296 0.041 Uiso 1 1 calc R . .
C2 C 1.0356(5) 0.6203(5) 0.20232(14) 0.0369(16) Uani 1 1 d . . .
H2 H 1.1051 0.6236 0.2036 0.044 Uiso 1 1 calc R . .
C3 C 0.9902(5) 0.5497(5) 0.18485(14) 0.0324(15) Uani 1 1 d . . .
C4 C 0.8889(5) 0.5484(5) 0.18358(14) 0.0376(17) Uani 1 1 d . . .
H4 H 0.8558 0.5021 0.1717 0.045 Uiso 1 1 calc R . .
C5 C 0.8366(5) 0.6151(5) 0.19977(15) 0.0409(17) Uani 1 1 d . . .
H5 H 0.7670 0.6119 0.1991 0.049 Uiso 1 1 calc R . .
C6 C 1.0555(5) 0.4799(5) 0.16854(14) 0.0355(16) Uani 1 1 d . . .
C7 C 1.0695(5) 0.3490(5) 0.13605(15) 0.0366(16) Uani 1 1 d . . .
H7A H 1.1120 0.3147 0.1502 0.044 Uiso 1 1 calc R . .
H7B H 1.1119 0.3832 0.1218 0.044 Uiso 1 1 calc R . .
C8 C 1.0023(5) 0.2752(5) 0.12046(14) 0.0396(16) Uani 1 1 d . . .
C9 C 0.9344(6) 0.2288(5) 0.14316(16) 0.0463(19) Uani 1 1 d . . .
H9A H 0.8920 0.2806 0.1515 0.056 Uiso 1 1 calc R . .
H9B H 0.9749 0.2017 0.1591 0.056 Uiso 1 1 calc R . .
C10 C 1.0693(6) 0.2005(5) 0.10496(17) 0.0500(19) Uani 1 1 d . . .
H10A H 1.1138 0.2364 0.0917 0.060 Uiso 1 1 calc R . .
H10B H 1.0281 0.1563 0.0930 0.060 Uiso 1 1 calc R . .
C11 C 0.9406(5) 0.3248(5) 0.09695(14) 0.0405(17) Uani 1 1 d . . .
H11A H 0.9031 0.2749 0.0859 0.049 Uiso 1 1 calc R . .
H11B H 0.8934 0.3709 0.1060 0.049 Uiso 1 1 calc R . .
C12 C 0.9654(5) 0.4238(5) 0.05571(16) 0.0357(16) Uani 1 1 d . . .
C13 C 1.0383(5) 0.4844(5) 0.03987(14) 0.0322(15) Uani 1 1 d . . .
C14 C 1.1377(5) 0.4698(5) 0.04145(14) 0.0348(16) Uani 1 1 d . . .
H14 H 1.1632 0.4154 0.0519 0.042 Uiso 1 1 calc R . .
C15 C 1.2003(5) 0.5340(5) 0.02783(15) 0.0368(16) Uani 1 1 d . . .
H15 H 1.2688 0.5222 0.0293 0.044 Uiso 1 1 calc R . .
C16 C 1.0730(5) 0.6267(5) 0.01129(15) 0.0421(17) Uani 1 1 d . . .
H16 H 1.0499 0.6823 0.0008 0.051 Uiso 1 1 calc R . .
C17 C 1.0046(5) 0.5667(5) 0.02402(14) 0.0391(16) Uani 1 1 d . . .
H17 H 0.9365 0.5801 0.0223 0.047 Uiso 1 1 calc R . .
C18 C 0.6197(5) 0.6945(5) 0.29185(15) 0.0344(15) Uani 1 1 d . . .
H18 H 0.6211 0.7623 0.2967 0.041 Uiso 1 1 calc R . .
C19 C 0.5469(5) 0.6390(5) 0.30315(14) 0.0330(15) Uani 1 1 d . . .
H19 H 0.4982 0.6671 0.3154 0.040 Uiso 1 1 calc R . .
C20 C 0.5453(5) 0.5410(5) 0.29646(14) 0.0387(17) Uani 1 1 d . A .
C21 C 0.6193(6) 0.5022(5) 0.27909(16) 0.054(2) Uani 1 1 d . . .
H21A H 0.6213 0.4339 0.2749 0.065 Uiso 1 1 calc R . .
C22 C 0.6881(5) 0.5634(5) 0.26832(16) 0.0426(18) Uani 1 1 d . . .
H22 H 0.7375 0.5373 0.2559 0.051 Uiso 1 1 calc R . .
C23 C 0.4694(6) 0.4725(6) 0.30862(16) 0.055(2) Uani 1 1 d . . .
C24 C 0.3427(5) 0.4506(5) 0.34307(15) 0.0390(17) Uani 1 1 d . . .
H24A H 0.3748 0.4054 0.3570 0.047 Uiso 1 1 calc R A .
H24B H 0.3085 0.4109 0.3282 0.047 Uiso 1 1 calc R . .
C25 C 0.2690(5) 0.5159(5) 0.35905(14) 0.0337(15) Uani 1 1 d . A .
C26 C 0.1974(5) 0.4511(5) 0.37550(14) 0.0380(17) Uani 1 1 d . . .
H26A H 0.1484 0.4936 0.3852 0.046 Uiso 1 1 calc R A .
H26B H 0.2338 0.4157 0.3909 0.046 Uiso 1 1 calc R . .
C27 C 0.2188(5) 0.5802(5) 0.33680(15) 0.0450(19) Uani 1 1 d . . .
H27A H 0.1873 0.5374 0.3221 0.054 Uiso 1 1 calc R A .
H27B H 0.2693 0.6197 0.3267 0.054 Uiso 1 1 calc R . .
C28 C 0.3199(5) 0.5816(5) 0.38109(14) 0.0335(16) Uani 1 1 d . . .
H28A H 0.3657 0.6270 0.3712 0.040 Uiso 1 1 calc R A .
H28B H 0.2710 0.6209 0.3919 0.040 Uiso 1 1 calc R . .
C29 C 0.4214(5) 0.5631(5) 0.42256(14) 0.0379(16) Uani 1 1 d . . .
C30 C 0.4786(4) 0.4936(5) 0.44109(13) 0.0337(14) Uani 1 1 d . A .
C31 C 0.5627(5) 0.5287(5) 0.45404(14) 0.0351(16) Uani 1 1 d . . .
H31 H 0.5806 0.5957 0.4520 0.042 Uiso 1 1 calc R A .
C32 C 0.6207(5) 0.4656(5) 0.47000(15) 0.0370(16) Uani 1 1 d . A .
H32 H 0.6794 0.4899 0.4785 0.044 Uiso 1 1 calc R . .
C33 C 0.5135(5) 0.3380(5) 0.46173(15) 0.0393(17) Uani 1 1 d . A .
H33 H 0.4948 0.2716 0.4646 0.047 Uiso 1 1 calc R . .
C34 C 0.4533(5) 0.3978(5) 0.44499(15) 0.0376(17) Uani 1 1 d . . .
H34 H 0.3953 0.3723 0.4364 0.045 Uiso 1 1 calc R A .
P1 P 1.29149(14) 0.70851(14) 0.2500 0.0466(7) Uani 1 2 d S . .
F1 F 1.2963(4) 0.5960(3) 0.25900(15) 0.104(2) Uani 1 1 d . . .
F2 F 1.1780(3) 0.7112(4) 0.25783(13) 0.0819(17) Uani 1 1 d . . .
F3 F 1.2648(4) 0.6830(5) 0.21811(12) 0.114(2) Uani 1 1 d . . .
P2 P 0.7888(3) 0.7138(3) 0.47115(10) 0.0519(11) Uani 0.50 1 d PD . .
F4 F 0.7039(6) 0.6724(7) 0.4909(2) 0.067(3) Uani 0.50 1 d PD . .
F5 F 0.7570(7) 0.8226(6) 0.4809(2) 0.059(2) Uani 0.50 1 d P . .
F6 F 0.8654(7) 0.7522(7) 0.4508(2) 0.071(3) Uani 0.50 1 d P . .
F7 F 0.7218(6) 0.7211(6) 0.44632(17) 0.057(2) Uani 0.50 1 d P . .
F8 F 0.8197(6) 0.6086(6) 0.4625(2) 0.057(2) Uani 0.50 1 d P . .
F9 F 0.8595(7) 0.7102(7) 0.4981(3) 0.081(3) Uani 0.50 1 d P . .


_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.306(5) . ?
Ag1 N4 2.325(5) 5_655 ?
Ag1 N3 2.327(5) . ?
Ag1 N2 2.383(5) 6_465 ?
Br1 C10 1.962(7) . ?
Br2 C9 1.950(7) . ?
Br3 C26 1.941(6) . ?
Br4 C27 1.951(7) . ?
O1 C6 1.201(8) . ?
O2 C6 1.333(8) . ?
O2 C7 1.465(7) . ?
O3 C12 1.309(8) . ?
O3 C11 1.455(8) . ?
O4 C12 1.209(8) . ?
O5 C23 1.250(16) . ?
O5' C23 1.284(16) . ?
O6 C23 1.324(8) . ?
O6 C24 1.447(7) . ?
O7 C29 1.341(7) . ?
O7 C28 1.470(7) . ?
O8 C29 1.189(7) . ?
N1 C5 1.338(8) . ?
N1 C1 1.355(8) . ?
N2 C15 1.336(8) . ?
N2 C16 1.349(8) . ?
N2 Ag1 2.383(5) 6_565 ?
N3 C18 1.330(8) . ?
N3 C22 1.348(8) . ?
N4 C33 1.335(8) . ?
N4 C32 1.356(8) . ?
N4 Ag1 2.325(5) 5_645 ?
C1 C2 1.377(9) . ?
C2 C3 1.398(9) . ?
C3 C4 1.382(9) . ?
C3 C6 1.503(9) . ?
C4 C5 1.374(9) . ?
C7 C8 1.538(9) . ?
C8 C11 1.528(9) . ?
C8 C9 1.532(9) . ?
C8 C10 1.542(9) . ?
C12 C13 1.483(9) . ?
C13 C14 1.371(9) . ?
C13 C17 1.415(9) . ?
C14 C15 1.373(9) . ?
C16 C17 1.371(9) . ?
C18 C19 1.352(9) . ?
C19 C20 1.371(9) . ?
C20 C21 1.391(10) . ?
C20 C23 1.501(9) . ?
C21 C22 1.349(10) . ?
C24 C25 1.530(9) . ?
C25 C27 1.511(8) . ?
C25 C26 1.518(9) . ?
C25 C28 1.520(8) . ?
C29 C30 1.493(9) . ?
C30 C34 1.362(9) . ?
C30 C31 1.378(8) . ?
C31 C32 1.379(9) . ?
C33 C34 1.389(9) . ?
P1 F3 1.550(5) 8_775 ?
P1 F3 1.550(5) . ?
P1 F2 1.589(5) . ?
P1 F2 1.589(5) 8_775 ?
P1 F1 1.590(5) 8_775 ?
P1 F1 1.590(5) . ?
P2 F7 1.466(9) . ?
P2 F6 1.496(10) . ?
P2 F8 1.546(9) . ?
P2 F9 1.571(10) . ?
P2 F4 1.576(7) . ?
P2 F5 1.608(9) . ?
F4 F4 1.032(15) 7_556 ?
F5 F9 1.263(13) 7_556 ?
F9 F5 1.263(13) 7_556 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N4 108.18(19) . 5_655 ?
N1 Ag1 N3 106.74(19) . . ?
N4 Ag1 N3 122.80(18) 5_655 . ?
N1 Ag1 N2 120.70(19) . 6_465 ?
N4 Ag1 N2 101.46(19) 5_655 6_465 ?
N3 Ag1 N2 97.77(19) . 6_465 ?
C6 O2 C7 112.9(5) . . ?
C12 O3 C11 116.5(5) . . ?
C23 O6 C24 116.8(5) . . ?
C29 O7 C28 114.8(5) . . ?
C5 N1 C1 116.8(5) . . ?
C5 N1 Ag1 123.0(4) . . ?
C1 N1 Ag1 118.2(4) . . ?
C15 N2 C16 116.0(6) . . ?
C15 N2 Ag1 117.4(4) . 6_565 ?
C16 N2 Ag1 125.4(5) . 6_565 ?
C18 N3 C22 117.4(6) . . ?
C18 N3 Ag1 118.7(4) . . ?
C22 N3 Ag1 123.4(4) . . ?
C33 N4 C32 117.7(5) . . ?
C33 N4 Ag1 124.7(4) . 5_645 ?
C32 N4 Ag1 117.6(4) . 5_645 ?
N1 C1 C2 123.4(6) . . ?
C1 C2 C3 118.6(6) . . ?
C4 C3 C2 118.4(6) . . ?
C4 C3 C6 124.2(6) . . ?
C2 C3 C6 117.4(6) . . ?
C5 C4 C3 119.2(6) . . ?
N1 C5 C4 123.7(6) . . ?
O1 C6 O2 123.7(6) . . ?
O1 C6 C3 123.2(6) . . ?
O2 C6 C3 113.1(5) . . ?
O2 C7 C8 107.3(5) . . ?
C11 C8 C9 109.4(6) . . ?
C11 C8 C7 111.6(5) . . ?
C9 C8 C7 108.2(5) . . ?
C11 C8 C10 106.9(6) . . ?
C9 C8 C10 113.6(6) . . ?
C7 C8 C10 107.1(6) . . ?
C8 C9 Br2 113.7(5) . . ?
C8 C10 Br1 113.6(5) . . ?
O3 C11 C8 108.3(6) . . ?
O4 C12 O3 124.0(7) . . ?
O4 C12 C13 124.9(7) . . ?
O3 C12 C13 111.0(6) . . ?
C14 C13 C17 117.6(6) . . ?
C14 C13 C12 123.7(6) . . ?
C17 C13 C12 118.5(6) . . ?
C13 C14 C15 119.8(6) . . ?
N2 C15 C14 124.1(6) . . ?
N2 C16 C17 124.4(7) . . ?
C16 C17 C13 118.2(6) . . ?
N3 C18 C19 124.1(6) . . ?
C18 C19 C20 118.1(6) . . ?
C19 C20 C21 119.2(6) . . ?
C19 C20 C23 122.2(7) . . ?
C21 C20 C23 118.5(6) . . ?
C22 C21 C20 118.7(6) . . ?
N3 C22 C21 122.6(6) . . ?
O5 C23 O5' 41.7(9) . . ?
O5 C23 O6 121.5(9) . . ?
O5' C23 O6 119.7(10) . . ?
O5 C23 C20 120.9(10) . . ?
O5' C23 C20 121.6(9) . . ?
O6 C23 C20 113.2(6) . . ?
O6 C24 C25 108.5(5) . . ?
C27 C25 C26 112.5(6) . . ?
C27 C25 C28 108.5(5) . . ?
C26 C25 C28 107.7(5) . . ?
C27 C25 C24 108.0(6) . . ?
C26 C25 C24 108.8(5) . . ?
C28 C25 C24 111.3(5) . . ?
C25 C26 Br3 114.9(4) . . ?
C25 C27 Br4 114.9(5) . . ?
O7 C28 C25 106.9(5) . . ?
O8 C29 O7 123.3(6) . . ?
O8 C29 C30 124.6(6) . . ?
O7 C29 C30 112.0(5) . . ?
C34 C30 C31 119.1(6) . . ?
C34 C30 C29 123.5(6) . . ?
C31 C30 C29 117.4(6) . . ?
C30 C31 C32 119.4(6) . . ?
N4 C32 C31 122.0(6) . . ?
N4 C33 C34 122.8(6) . . ?
C30 C34 C33 119.1(6) . . ?
F3 P1 F3 179.1(6) 8_775 . ?
F3 P1 F2 89.9(4) 8_775 . ?
F3 P1 F2 89.5(3) . . ?
F3 P1 F2 89.5(3) 8_775 8_775 ?
F3 P1 F2 89.9(4) . 8_775 ?
F2 P1 F2 90.4(4) . 8_775 ?
F3 P1 F1 92.3(4) 8_775 8_775 ?
F3 P1 F1 88.3(3) . 8_775 ?
F2 P1 F1 177.7(3) . 8_775 ?
F2 P1 F1 90.2(3) 8_775 8_775 ?
F3 P1 F1 88.3(3) 8_775 . ?
F3 P1 F1 92.3(4) . . ?
F2 P1 F1 90.2(3) . . ?
F2 P1 F1 177.7(3) 8_775 . ?
F1 P1 F1 89.3(4) 8_775 . ?
F7 P2 F6 85.7(6) . . ?
F7 P2 F8 91.9(5) . . ?
F6 P2 F8 88.5(5) . . ?
F7 P2 F9 177.7(6) . . ?
F6 P2 F9 94.4(6) . . ?
F8 P2 F9 90.4(6) . . ?
F7 P2 F4 91.0(6) . . ?
F6 P2 F4 176.6(6) . . ?
F8 P2 F4 91.0(5) . . ?
F9 P2 F4 89.0(6) . . ?
F7 P2 F5 89.2(5) . . ?
F6 P2 F5 92.2(5) . . ?
F8 P2 F5 178.7(6) . . ?
F9 P2 F5 88.5(5) . . ?
F4 P2 F5 88.4(5) . . ?
F4 F4 P2 128.6(4) 7_556 . ?
F9 F5 P2 135.8(9) 7_556 . ?
F5 F9 P2 110.1(9) 7_556 . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.638
_refine_diff_density_min         -0.923
_refine_diff_density_rms         0.102


