#------------------------------------------------------------------------------
#$Date: 2016-02-20 02:53:41 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176768 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/51/2105191.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2105191
loop_
_publ_author_name
'Siegler, Maxime A.'
'Parkin, Sean'
'Brock, Carolyn Pratt'
_publ_section_title
;
 [Ni(MeCN)(H₂O)₂(NO₃)₂]·(15-crown-5)·MeCN: detailed
 study of a four-phase sequence that includes an intermediate modulated
 phase
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              389
_journal_page_last               400
_journal_paper_doi               10.1107/S0108768112018319
_journal_volume                  68
_journal_year                    2012
_chemical_formula_moiety         'C10 H20 O5, C2 H7 N3 Ni O8, C2 H3 N'
_chemical_formula_sum            'C14 H30 N4 Ni O13'
_chemical_formula_weight         521.13
_chemical_name_systematic
;
acetonitrilediaqual-κ¹O-nitrato-κ²O-nitratonickel(II) (15-crown-5)
acetonitrile solvate
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'SHELXL-97 and C P Brock'
_cell_angle_alpha                90.00
_cell_angle_beta                 105.358(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.1511(2)
_cell_length_b                   12.3880(2)
_cell_length_c                   8.18270(10)
_cell_measurement_reflns_used    2858
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.00
_cell_volume                     1187.74(3)
_computing_cell_refinement       'DENZO-SMN (Nonius, 1999)'
_computing_data_collection       'COLLECT (Nonius, 1999)'
_computing_data_reduction        'DENZO-SMN (Nonius, 1999)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  'SHELX-97 and local procedures'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      273(2)
_diffrn_detector_area_resol_mean 18
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Nonius KappaCCD diffractometer'
_diffrn_measurement_method       'ω scans at fixed χ = 55°'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0322
_diffrn_reflns_av_sigmaI/netI    0.0467
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            5454
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    0.884
_exptl_absorpt_correction_T_max  0.9168
_exptl_absorpt_correction_T_min  0.8092
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Scalepack (Otwinowski & Minor, 2006)'
_exptl_crystal_colour            'pale green'
_exptl_crystal_density_diffrn    1.457
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             548
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.312
_refine_diff_density_min         -0.330
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     321
_refine_ls_number_reflns         2859
_refine_ls_number_restraints     151
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0907
_refine_ls_R_factor_gt           0.0432
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0737P)²+0.0272P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1106
_refine_ls_wR_factor_ref         0.1321
_reflns_number_gt                1665
_reflns_number_total             2859
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            hw5021.cif
_cod_data_source_block           273K_I_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               2105191
_cod_database_fobs_code          2105191
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.0580(7) 0.1548(5) 0.6321(13) 0.0803(18) Uani d PDU 0.606(4) 1 . 1
H H1A 0.0583 0.1616 0.5142 0.096 Uiso calc PR 0.606(4) 1 . 1
H H1B -0.0201 0.1428 0.6367 0.096 Uiso calc PR 0.606(4) 1 . 1
C C2 0.1307(6) 0.0618(7) 0.7108(15) 0.0927(19) Uani d PDU 0.606(4) 1 . 1
H H2A 0.1329 0.0564 0.8299 0.111 Uiso calc PR 0.606(4) 1 . 1
H H2B 0.0995 -0.0049 0.6553 0.111 Uiso calc PR 0.606(4) 1 . 1
C C3 0.3263(6) 0.0069(6) 0.7855(9) 0.0960(19) Uani d PDU 0.606(4) 1 . 1
H H3A 0.3131 -0.0647 0.7363 0.115 Uiso calc PR 0.606(4) 1 . 1
H H3B 0.3210 0.0027 0.9016 0.115 Uiso calc PR 0.606(4) 1 . 1
C C4 0.4410(10) 0.0442(11) 0.784(2) 0.086(2) Uani d PDU 0.606(4) 1 . 1
H H4A 0.4969 -0.0118 0.8269 0.104 Uiso calc PR 0.606(4) 1 . 1
H H4B 0.4429 0.0615 0.6689 0.104 Uiso calc PR 0.606(4) 1 . 1
C C5 0.5642(9) 0.2057(9) 0.9167(19) 0.076(3) Uani d PDU 0.303(2) 1 . 1
H H5A 0.587(4) 0.212(4) 1.043(3) 0.091 Uiso d PD 0.50 1 A 1
H H5B 0.587(6) 0.136(3) 0.882(6) 0.091 Uiso d PD 0.50 1 B 1
C C6 0.536(2) 0.3055(13) 0.811(2) 0.097(5) Uani d PDU 0.303(2) 1 . 1
H H6A 0.605(3) 0.340(5) 0.789(9) 0.116 Uiso d PD 0.50 1 C 1
H H6B 0.469(3) 0.340(6) 0.719(7) 0.116 Uiso d PD 0.50 1 D 1
O O1 0.1003(4) 0.2500 0.7200(5) 0.0662(13) Uani d SPDU 0.606(4) 2 . 1
O O2 0.2426(3) 0.0787(4) 0.6926(4) 0.0820(12) Uani d PDU 0.606(4) 1 . 1
O O3 0.4659(4) 0.1376(3) 0.8881(6) 0.0980(14) Uani d PDU 0.606(4) 1 . 1
C C5' 0.038(3) 0.3254(15) 0.620(4) 0.097(5) Uani d PDU 0.197(2) 1 . 2
C C6' 0.0508(14) 0.2046(14) 0.631(2) 0.0803(18) Uani d PDU 0.197(2) 1 . 2
C C7' 0.1619(13) 0.0460(10) 0.746(2) 0.0927(19) Uani d PDU 0.394(4) 1 . 2
H H7'1 0.095(5) 0.000(7) 0.693(8) 0.111 Uiso d PD 0.394(4) 1 . 2
H H7'2 0.169(6) 0.051(7) 0.869(4) 0.111 Uiso d PD 0.394(4) 1 . 2
C C8' 0.2737(8) 0.0086(10) 0.7195(15) 0.0960(19) Uani d PDU 0.394(4) 1 . 2
H H8'1 0.2872 -0.0664 0.7525 0.115 Uiso calc PR 0.394(4) 1 . 2
H H8'2 0.2730 0.0155 0.6012 0.115 Uiso calc PR 0.394(4) 1 . 2
C C9' 0.4624(15) 0.067(2) 0.772(4) 0.086(2) Uani d PDU 0.394(4) 1 . 2
H H9'1 0.4475 0.0735 0.6503 0.104 Uiso calc PR 0.394(4) 1 . 2
H H9'2 0.4981 -0.0028 0.8057 0.104 Uiso calc PR 0.394(4) 1 . 2
C C10' 0.5397(9) 0.1557(7) 0.8585(15) 0.076(3) Uani d PDU 0.394(4) 1 . 2
H H10A 0.5393 0.1613 0.9766 0.091 Uiso calc PR 0.394(4) 1 . 2
H H10B 0.6174 0.1430 0.8526 0.091 Uiso calc PR 0.394(4) 1 . 2
O O1' 0.4952(9) 0.2500 0.7692(12) 0.075(3) Uani d SPDU 0.394(4) 2 . 2
O O4' 0.1260(9) 0.1544(8) 0.7735(13) 0.0772(19) Uani d PDU 0.197(2) 1 . 2
O O4'' 0.1484(10) 0.1384(8) 0.6382(13) 0.0772(19) Uani d PDU 0.197(2) 1 . 2
O O5' 0.3589(5) 0.0743(6) 0.8206(7) 0.0762(17) Uani d PDU 0.394(4) 1 . 2
Ni Ni1 0.30544(4) 0.2641(5) 0.26705(6) 0.0478(9) Uani d PU 0.50 1 . .
O O6 0.3009(3) 0.2500 0.5121(3) 0.0634(7) Uani d SDU 1 2 . .
H H6C 0.310(5) 0.199(4) 0.576(7) 0.095 Uiso d PD 0.50 1 . .
H H6D 0.253(4) 0.290(4) 0.534(8) 0.095 Uiso d PD 0.50 1 . .
O O7 0.2985(3) 0.2701(13) 0.0176(4) 0.079(4) Uani d PDU 0.50 1 . .
H H7C 0.259(3) 0.2500 -0.077(3) 0.119 Uiso d SD 1 2 . .
H H7D 0.357(3) 0.296(5) -0.008(7) 0.119 Uiso d PD 0.50 1 . .
N N1' 0.240(3) 0.044(2) 0.259(5) 0.067(4) Uani d PDU 0.222(16) 1 . 1
O O8' 0.3345(14) 0.0289(19) 0.354(4) 0.103(6) Uani d PDU 0.222(16) 1 . 1
O O9' 0.203(3) 0.1369(15) 0.204(2) 0.084(5) Uani d PDU 0.222(16) 1 . 1
O O10' 0.181(5) -0.037(3) 0.243(6) 0.113(6) Uani d PDU 0.222(16) 1 . 1
N N1 0.2118(18) 0.0445(16) 0.2428(18) 0.067(4) Uani d PDU 0.278(16) 1 . 2
O O8 0.304(2) 0.0967(16) 0.255(4) 0.080(5) Uani d PDU 0.278(16) 1 . 2
O O9 0.1257(16) 0.0983(19) 0.228(3) 0.152(10) Uani d PDU 0.278(16) 1 . 2
O O10 0.215(3) -0.0534(15) 0.246(4) 0.113(6) Uani d PDU 0.278(16) 1 . 2
N N2 0.2032(12) 0.4408(12) 0.252(2) 0.072(4) Uani d PU 0.50 1 . .
O O11 0.3120(10) 0.4298(14) 0.285(2) 0.066(2) Uani d PU 0.50 1 . .
O O12 0.1468(12) 0.3588(12) 0.2206(11) 0.076(2) Uani d PU 0.50 1 . .
O O13 0.1572(15) 0.5278(14) 0.246(3) 0.122(5) Uani d PU 0.50 1 . .
C C11 0.6906(4) 0.2500 0.5159(7) 0.0938(15) Uani d SDU 1 2 . .
H H11A 0.748(4) 0.2500 0.449(6) 0.141 Uiso d SD 1 2 . .
H H11B 0.697(3) 0.3197(19) 0.573(4) 0.141 Uiso d D 1 1 . .
C C12 0.5729(4) 0.2500 0.4176(5) 0.0670(10) Uani d SU 1 2 . .
N N3 0.4802(3) 0.2500 0.3434(4) 0.0665(9) Uani d SU 1 2 . .
C C13 -0.0692(5) 0.2500 -0.0134(7) 0.1082(18) Uani d SDU 1 2 . .
H H13A -0.094(4) 0.2500 -0.139(2) 0.162 Uiso d SD 1 2 . .
H H13B -0.012(3) 0.190(3) 0.018(4) 0.162 Uiso d D 1 1 . .
C C14 -0.1222(4) 0.2500 0.1210(7) 0.0847(13) Uani d SU 1 2 . .
N N4 -0.1664(5) 0.2500 0.2272(8) 0.137(2) Uani d SU 1 2 . .
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'
O O 0.0106 0.0060 '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'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 C1 C2 . . 109.4(7) no
O1 C1 H1A . . 109.8 no
C2 C1 H1A . . 109.8 no
O1 C1 H1B . . 109.8 no
C2 C1 H1B . . 109.8 no
H1A C1 H1B . . 108.2 no
O2 C2 C1 . . 108.4(6) no
O2 C2 H2A . . 110.0 no
C1 C2 H2A . . 110.0 no
O2 C2 H2B . . 110.0 no
C1 C2 H2B . . 110.0 no
H2A C2 H2B . . 108.4 no
O2 C2 H7'1 . . 124(6) no
C1 C2 H7'1 . . 113(6) no
H2A C2 H7'1 . . 89.3 no
H2B C2 H7'1 . . 19.9 no
O2 C2 H7'2 . . 91(3) no
C1 C2 H7'2 . . 123(4) no
H2A C2 H7'2 . . 19.6 no
H2B C2 H7'2 . . 112.4 no
H7'1 C2 H7'2 . . 96(4) no
O2 C3 C4 . . 110.2(10) no
O2 C3 H3A . . 109.6 no
C4 C3 H3A . . 109.6 no
O2 C3 H3B . . 109.6 no
C4 C3 H3B . . 109.6 no
H3A C3 H3B . . 108.1 no
O3 C4 C3 . . 107.5(6) no
O3 C4 H4A . . 110.2 no
C3 C4 H4A . . 110.2 no
O3 C4 H4B . . 110.2 no
C3 C4 H4B . . 110.2 no
H4A C4 H4B . . 108.5 no
C6 C5 C5 4_565 4_565 99.4(16) no
C6 C5 O3 4_565 . 69.5(13) no
C5 C5 O3 4_565 . 126.1(5) no
C6 C5 C6 4_565 . 65(2) no
C5 C5 C6 4_565 . 34.3(9) no
O3 C5 C6 . . 110.0(12) no
C6 C5 H5A 4_565 . 172(3) no
C5 C5 H5A 4_565 . 85(3) no
O3 C5 H5A . . 102(3) no
C6 C5 H5A . . 119(3) no
C6 C5 H5B 4_565 . 68(4) no
C5 C5 H5B 4_565 . 152(4) no
O3 C5 H5B . . 74(4) no
C6 C5 H5B . . 127(3) no
H5A C5 H5B . . 111(3) no
C5 C6 C6 4_565 4_565 80.6(16) no
C5 C6 O3 4_565 4_565 75.2(13) no
C6 C6 O3 4_565 4_565 120.5(8) no
C5 C6 C5 4_565 . 46.3(14) no
C6 C6 C5 4_565 . 34.3(9) no
O3 C6 C5 4_565 . 103.0(9) no
C5 C6 H6A 4_565 . 97(5) no
C6 C6 H6A 4_565 . 116(4) no
O3 C6 H6A 4_565 . 120(5) no
C5 C6 H6A . . 113(4) no
C5 C6 H6B 4_565 . 145(5) no
C6 C6 H6B 4_565 . 114(5) no
O3 C6 H6B 4_565 . 70(4) no
C5 C6 H6B . . 140(5) no
H6A C6 H6B . . 103(3) no
C1 O1 C1 4_565 . 114.0(8) no
C3 O2 C2 . . 115.0(5) no
C6 O3 C4 4_565 . 101.4(8) no
C6 O3 C5 4_565 . 35.3(8) no
C4 O3 C5 . . 127.9(7) no
C6' C5' O4'' 4_565 4_565 89(6) no
C6' C5' O4' 4_565 4_565 80(6) no
O4'' C5' O4' 4_565 4_565 51.4(15) no
C6' C5' C6' 4_565 . 17(4) no
O4'' C5' C6' 4_565 . 104(2) no
O4' C5' C6' 4_565 . 95(2) no
C6' C5' C5' 4_565 4_565 23(6) no
O4'' C5' C5' 4_565 4_565 109.0(9) no
O4' C5' C5' 4_565 4_565 100.0(8) no
C6' C5' C5' . 4_565 5.9(17) no
C5' C6' C6' 4_565 4_565 157(6) no
C5' C6' O4' 4_565 . 84(6) no
C6' C6' O4' 4_565 . 115.9(9) no
C5' C6' O4'' 4_565 . 75(5) no
C6' C6' O4'' 4_565 . 125.0(9) no
O4' C6' O4'' . . 50.8(7) no
C5' C6' C5' 4_565 . 152(7) no
C6' C6' C5' 4_565 . 5.9(17) no
O4' C6' C5' . . 121(2) no
O4'' C6' C5' . . 130(2) no
O4'' C7' O4' . . 50.4(7) no
O4'' C7' C8' . . 96.8(11) no
O4' C7' C8' . . 129.0(12) no
O4'' C7' H7'1 . . 104(5) no
O4' C7' H7'1 . . 111(6) no
C8' C7' H7'1 . . 115(5) no
O4'' C7' H7'2 . . 123(5) no
O4' C7' H7'2 . . 75(5) no
C8' C7' H7'2 . . 109(5) no
H7'1 C7' H7'2 . . 109(3) no
O5' C8' C7' . . 106.9(11) no
O5' C8' H8'1 . . 110.3 no
C7' C8' H8'1 . . 110.3 no
O5' C8' H8'2 . . 110.3 no
C7' C8' H8'2 . . 110.3 no
H8'1 C8' H8'2 . . 108.6 no
O5' C9' C10' . . 108.2(10) no
O5' C9' H9'1 . . 110.1 no
C10' C9' H9'1 . . 110.1 no
O5' C9' H9'2 . . 110.1 no
C10' C9' H9'2 . . 110.1 no
H9'1 C9' H9'2 . . 108.4 no
O1' C10' C9' . . 105.1(15) no
O1' C10' H5B . . 134(7) no
C9' C10' H5B . . 107(5) no
O1' C10' H10A . . 110.7 no
C9' C10' H10A . . 110.7 no
H5B C10' H10A . . 88.2 no
O1' C10' H10B . . 110.7 no
C9' C10' H10B . . 110.7 no
H5B C10' H10B . . 25.3 no
H10A C10' H10B . . 108.8 no
C10' O1' C10' . 4_565 112.2(11) no
C10' O1' H6B . . 168(3) no
C10' O1' H6B 4_565 . 56(3) no
O4'' O4' C6' . . 65.0(7) no
O4'' O4' C5' . 4_565 61.9(12) no
C6' O4' C5' . 4_565 16.2(15) no
O4'' O4' C7' . . 63.9(6) no
C6' O4' C7' . . 115.6(11) no
C5' O4' C7' 4_565 . 102.1(12) no
O4' O4'' C5' . 4_565 66.7(15) no
O4' O4'' C7' . . 65.7(7) no
C5' O4'' C7' 4_565 . 106.1(13) no
O4' O4'' C6' . . 64.2(7) no
C5' O4'' C6' 4_565 . 16.3(16) no
C7' O4'' C6' . . 116.4(10) no
C8' O5' C9' . . 111.6(9) no
Ni1 Ni1 O8 4_565 4_565 177.0(10) no
Ni1 Ni1 O9' 4_565 4_565 135.2(11) no
O8 Ni1 O9' 4_565 4_565 43.8(10) no
Ni1 Ni1 O9' 4_565 . 37.7(9) no
O8 Ni1 O9' 4_565 . 141.2(15) no
O9' Ni1 O9' 4_565 . 97(2) no
Ni1 Ni1 O7 4_565 . 92.1(5) no
O8 Ni1 O7 4_565 . 84.9(13) no
O9' Ni1 O7 4_565 . 80.7(8) no
O9' Ni1 O7 . . 85.0(7) no
Ni1 Ni1 O6 4_565 . 85.07(16) no
O8 Ni1 O6 4_565 . 97.9(10) no
O9' Ni1 O6 4_565 . 98.6(8) no
O9' Ni1 O6 . . 90.5(6) no
O7 Ni1 O6 . . 175.3(4) no
Ni1 Ni1 N3 4_565 . 85.13(15) no
O8 Ni1 N3 4_565 . 95.5(9) no
O9' Ni1 N3 4_565 . 139.2(12) no
O9' Ni1 N3 . . 122.5(10) no
O7 Ni1 N3 . . 94.19(14) no
O6 Ni1 N3 . . 89.37(12) no
Ni1 Ni1 O11 4_565 . 175.9(4) no
O8 Ni1 O11 4_565 . 7.1(14) no
O9' Ni1 O11 4_565 . 47.5(10) no
O9' Ni1 O11 . . 144.8(11) no
O7 Ni1 O11 . . 91.5(5) no
O6 Ni1 O11 . . 91.5(5) no
N3 Ni1 O11 . . 92.6(4) no
Ni1 Ni1 O7 4_565 4_565 78.2(5) no
O8 Ni1 O7 4_565 4_565 98.8(10) no
O9' Ni1 O7 4_565 4_565 90.8(7) no
O9' Ni1 O7 . 4_565 73.9(8) no
O7 Ni1 O7 . 4_565 14.0(9) no
O6 Ni1 O7 . 4_565 162.8(5) no
N3 Ni1 O7 . 4_565 92.92(15) no
O11 Ni1 O7 . 4_565 105.5(7) no
Ni1 Ni1 O8 4_565 . 2.5(9) no
O8 Ni1 O8 4_565 . 174.4(19) no
O9' Ni1 O8 4_565 . 134.3(15) no
O9' Ni1 O8 . . 36.9(9) no
O7 Ni1 O8 . . 89.6(8) no
O6 Ni1 O8 . . 87.5(9) no
N3 Ni1 O8 . . 85.7(7) no
O11 Ni1 O8 . . 178.0(7) no
O7 Ni1 O8 4_565 . 75.7(11) no
Ni1 Ni1 O12 4_565 . 122.2(3) no
O8 Ni1 O12 4_565 . 57.5(9) no
O9' Ni1 O12 4_565 . 16.3(13) no
O9' Ni1 O12 . . 85.2(9) no
O7 Ni1 O12 . . 90.3(3) no
O6 Ni1 O12 . . 88.0(3) no
N3 Ni1 O12 . . 152.1(4) no
O11 Ni1 O12 . . 59.8(4) no
O7 Ni1 O12 4_565 . 97.7(4) no
O8 Ni1 O12 . . 121.9(7) no
Ni1 Ni1 O11 4_565 4_565 3.5(4) no
O8 Ni1 O11 4_565 4_565 178.8(7) no
O9' Ni1 O11 4_565 4_565 137.4(12) no
O9' Ni1 O11 . 4_565 40.0(9) no
O7 Ni1 O11 . 4_565 95.2(7) no
O6 Ni1 O11 . 4_565 82.1(4) no
N3 Ni1 O11 . 4_565 83.2(3) no
O11 Ni1 O11 . 4_565 172.3(8) no
O7 Ni1 O11 4_565 4_565 81.3(5) no
O8 Ni1 O11 . 4_565 6.0(11) no
O12 Ni1 O11 . 4_565 123.8(4) no
Ni1 O6 Ni1 . 4_565 9.9(3) no
Ni1 O6 H6C . . 132(5) no
Ni1 O6 H6C 4_565 . 122(5) no
Ni1 O6 H6D . . 112(4) no
Ni1 O6 H6D 4_565 . 118(4) no
H6C O6 H6D . . 108(3) no
O7 O7 Ni1 4_565 . 87.9(5) no
O7 O7 Ni1 4_565 4_565 78.2(5) no
Ni1 O7 Ni1 . 4_565 9.7(3) no
O7 O7 H7C 4_565 . 72.6(12) no
Ni1 O7 H7C . . 142(3) no
Ni1 O7 H7C 4_565 . 136(3) no
O7 O7 H7D 4_565 . 112(5) no
Ni1 O7 H7D . . 117(4) no
Ni1 O7 H7D 4_565 . 120(4) no
H7C O7 H7D . . 101(3) no
N2 N1' O11 4_565 4_565 135(5) no
N2 N1' O10' 4_565 . 79(4) no
O11 N1' O10' 4_565 . 145(4) no
N2 N1' O8' 4_565 . 147(9) no
O11 N1' O8' 4_565 . 38.3(15) no
O10' N1' O8' . . 111(4) no
N2 N1' O9' 4_565 . 50(3) no
O11 N1' O9' 4_565 . 89(2) no
O10' N1' O9' . . 125(3) no
O8' N1' O9' . . 123(2) no
N2 N1' O13 4_565 4_565 66(4) no
O11 N1' O13 4_565 4_565 158(2) no
O10' N1' O13 . 4_565 14(3) no
O8' N1' O13 . 4_565 121(2) no
O9' N1' O13 . 4_565 113(2) no
N2 N1' O12 4_565 4_565 25(3) no
O11 N1' O12 4_565 4_565 111(2) no
O10' N1' O12 . 4_565 104(3) no
O8' N1' O12 . 4_565 137(3) no
O9' N1' O12 . 4_565 25.7(10) no
O13 N1' O12 4_565 4_565 90.5(18) no
O11 O8' N1' 4_565 . 48(2) no
O11 O8' N2 4_565 4_565 49.6(15) no
N1' O8' N2 . 4_565 9(3) no
O12 O9' N2 4_565 4_565 84.9(18) no
O12 O9' N1' 4_565 . 105(3) no
N2 O9' N1' 4_565 . 20(2) no
O12 O9' O11 4_565 4_565 133.7(19) no
N2 O9' O11 4_565 4_565 55.1(14) no
N1' O9' O11 . 4_565 35.6(14) no
O12 O9' Ni1 4_565 4_565 122(3) no
N2 O9' Ni1 4_565 4_565 128(2) no
N1' O9' Ni1 . 4_565 112.1(19) no
O11 O9' Ni1 4_565 4_565 77.4(16) no
O12 O9' Ni1 4_565 . 116(3) no
N2 O9' Ni1 4_565 . 134.1(18) no
N1' O9' Ni1 . . 119.0(18) no
O11 O9' Ni1 4_565 . 84.5(15) no
Ni1 O9' Ni1 4_565 . 7.1(3) no
O13 O10' N1' 4_565 . 102(8) no
O13 O10' N2 4_565 4_565 80(7) no
N1' O10' N2 . 4_565 22(2) no
N2 N1 O13 4_565 4_565 108(8) no
N2 N1 O10 4_565 . 143(8) no
O13 N1 O10 4_565 . 38.2(18) no
N2 N1 O11 4_565 4_565 102(8) no
O13 N1 O11 4_565 4_565 139(2) no
O10 N1 O11 . 4_565 103.5(19) no
N2 N1 O9 4_565 . 32(7) no
O13 N1 O9 4_565 . 87(2) no
O10 N1 O9 . . 125(2) no
O11 N1 O9 4_565 . 130.8(18) no
N2 N1 O8 4_565 . 92(8) no
O13 N1 O8 4_565 . 157(3) no
O10 N1 O8 . . 119(2) no
O11 N1 O8 4_565 . 18.6(12) no
O9 N1 O8 . . 116.4(19) no
N2 N1 O12 4_565 4_565 25(7) no
O13 N1 O12 4_565 4_565 111(2) no
O10 N1 O12 . 4_565 149(2) no
O11 N1 O12 4_565 4_565 107.3(15) no
O9 N1 O12 . 4_565 24.9(10) no
O8 N1 O12 . 4_565 91.7(17) no
O11 O8 N1 4_565 . 73(4) no
O11 O8 N2 4_565 4_565 79(4) no
N1 O8 N2 . 4_565 10.2(13) no
O11 O8 Ni1 4_565 4_565 141(7) no
N1 O8 Ni1 . 4_565 121(2) no
N2 O8 Ni1 4_565 4_565 110.7(18) no
O11 O8 Ni1 4_565 . 142(7) no
N1 O8 Ni1 . . 120.5(19) no
N2 O8 Ni1 4_565 . 110.8(17) no
Ni1 O8 Ni1 4_565 . 0.51(17) no
O12 O9 N2 4_565 4_565 92(3) no
O12 O9 N1 4_565 . 97(3) no
N2 O9 N1 4_565 . 6.8(14) no
O12 O9 O13 4_565 4_565 140(3) no
N2 O9 O13 4_565 4_565 48.9(13) no
N1 O9 O13 . 4_565 44.1(13) no
O13 O10 N1 4_565 . 64(2) no
O13 O10 N2 4_565 4_565 59.4(19) no
N1 O10 N2 . 4_565 5.7(13) no
N1 N2 N1' 4_565 4_565 40(9) no
N1 N2 O9 4_565 4_565 141(8) no
N1' N2 O9 4_565 4_565 174(7) no
N1 N2 O9' 4_565 4_565 125(9) no
N1' N2 O9' 4_565 4_565 109(5) no
O9 N2 O9' 4_565 4_565 65.2(19) no
N1 N2 O13 4_565 . 62(8) no
N1' N2 O13 4_565 . 93(4) no
O9 N2 O13 4_565 . 91(2) no
O9' N2 O13 4_565 . 149(2) no
N1 N2 O12 4_565 . 151(8) no
N1' N2 O12 4_565 . 145(4) no
O9 N2 O12 4_565 . 29.6(11) no
O9' N2 O12 4_565 . 36.8(16) no
O13 N2 O12 . . 120.5(17) no
N1 N2 O10' 4_565 4_565 47(7) no
N1' N2 O10' 4_565 4_565 79(4) no
O9 N2 O10' 4_565 4_565 106(3) no
O9' N2 O10' 4_565 4_565 155(3) no
O13 N2 O10' . 4_565 15(3) no
O12 N2 O10' . 4_565 135(3) no
N1 N2 O11 4_565 . 68(8) no
N1' N2 O11 4_565 . 30(3) no
O9 N2 O11 4_565 . 146.0(17) no
O9' N2 O11 4_565 . 83.5(16) no
O13 N2 O11 . . 122.8(18) no
O12 N2 O11 . . 116.7(11) no
O10' N2 O11 4_565 . 108(3) no
N1 N2 O8 4_565 4_565 78(8) no
N1' N2 O8 4_565 4_565 45(3) no
O9 N2 O8 4_565 4_565 130.2(19) no
O9' N2 O8 4_565 4_565 65.8(16) no
O13 N2 O8 . 4_565 138(2) no
O12 N2 O8 . 4_565 100.5(14) no
O10' N2 O8 4_565 4_565 123(3) no
O11 N2 O8 . 4_565 18.0(12) no
N1 N2 O10 4_565 4_565 32(7) no
N1' N2 O10 4_565 4_565 60(4) no
O9 N2 O10 4_565 4_565 124(2) no
O9' N2 O10 4_565 4_565 154(3) no
O13 N2 O10 . 4_565 33.1(15) no
O12 N2 O10 . 4_565 151.6(17) no
O10' N2 O10 4_565 4_565 18(3) no
O11 N2 O10 . 4_565 90.3(16) no
O8 N2 O10 4_565 4_565 105(2) no
N1 N2 O8' 4_565 4_565 61(7) no
N1' N2 O8' 4_565 4_565 24(7) no
O9 N2 O8' 4_565 4_565 157(2) no
O9' N2 O8' 4_565 4_565 108.3(16) no
O13 N2 O8' . 4_565 101.1(17) no
O12 N2 O8' . 4_565 136.0(11) no
O10' N2 O8' 4_565 4_565 88(3) no
O11 N2 O8' . 4_565 26.8(9) no
O8 N2 O8' 4_565 4_565 44.6(13) no
O10 N2 O8' 4_565 4_565 72.3(15) no
O8 O11 O8' 4_565 4_565 168(7) no
O8 O11 N1' 4_565 4_565 95(5) no
O8' O11 N1' 4_565 4_565 94(2) no
O8 O11 N1 4_565 4_565 89(5) no
O8' O11 N1 4_565 4_565 100(2) no
N1' O11 N1 4_565 4_565 6.2(18) no
O8 O11 N2 4_565 . 83(5) no
O8' O11 N2 4_565 . 103.6(19) no
N1' O11 N2 4_565 . 15(2) no
N1 O11 N2 4_565 . 10.1(12) no
O8 O11 O9' 4_565 4_565 43(5) no
O8' O11 O9' 4_565 4_565 141(2) no
N1' O11 O9' 4_565 4_565 54.9(14) no
N1 O11 O9' 4_565 4_565 48.7(10) no
N2 O11 O9' . 4_565 41.5(9) no
O8 O11 Ni1 4_565 . 32(6) no
O8' O11 Ni1 4_565 . 136(2) no
N1' O11 Ni1 4_565 . 108.8(16) no
N1 O11 Ni1 4_565 . 102.9(14) no
N2 O11 Ni1 . . 94.1(12) no
O9' O11 Ni1 4_565 . 55.0(9) no
O8 O11 Ni1 4_565 4_565 32(6) no
O8' O11 Ni1 4_565 4_565 136(2) no
N1' O11 Ni1 4_565 4_565 109.2(16) no
N1 O11 Ni1 4_565 4_565 103.2(14) no
N2 O11 Ni1 . 4_565 94.4(11) no
O9' O11 Ni1 4_565 4_565 55.5(9) no
Ni1 O11 Ni1 . 4_565 0.60(6) no
O9 O12 O9' 4_565 4_565 114(3) no
O9 O12 N2 4_565 . 58(2) no
O9' O12 N2 4_565 . 58.3(17) no
O9 O12 N1 4_565 4_565 59(2) no
O9' O12 N1 4_565 4_565 56(2) no
N2 O12 N1 . 4_565 4.6(12) no
O9 O12 N1' 4_565 4_565 68(2) no
O9' O12 N1' 4_565 4_565 49(2) no
N2 O12 N1' . 4_565 9.5(15) no
N1 O12 N1' 4_565 4_565 9.8(14) no
O9 O12 Ni1 4_565 . 146(3) no
O9' O12 Ni1 4_565 . 42(2) no
N2 O12 Ni1 . . 89.4(10) no
N1 O12 Ni1 4_565 . 89.7(11) no
N1' O12 Ni1 4_565 . 80.2(11) no
O9 O12 Ni1 4_565 4_565 153(3) no
O9' O12 Ni1 4_565 4_565 48(2) no
N2 O12 Ni1 . 4_565 96.4(10) no
N1 O12 Ni1 4_565 4_565 96.8(11) no
N1' O12 Ni1 4_565 4_565 87.2(11) no
Ni1 O12 Ni1 . 4_565 7.0(2) no
O10' O13 O10 4_565 4_565 4(10) no
O10' O13 N1 4_565 4_565 75(6) no
O10 O13 N1 4_565 4_565 78(2) no
O10' O13 N2 4_565 . 85(6) no
O10 O13 N2 4_565 . 87(2) no
N1 O13 N2 4_565 . 10.5(15) no
O10' O13 N1' 4_565 4_565 64(6) no
O10 O13 N1' 4_565 4_565 67(3) no
N1 O13 N1' 4_565 4_565 12.2(16) no
N2 O13 N1' . 4_565 20.8(18) no
O10' O13 O9 4_565 4_565 123(7) no
O10 O13 O9 4_565 4_565 127(3) no
N1 O13 O9 4_565 4_565 49.3(13) no
N2 O13 O9 . 4_565 39.9(13) no
N1' O13 O9 4_565 4_565 60.7(14) no
C12 C11 H11A . . 115(3) no
C12 C11 H11B . . 102(2) no
H11A C11 H11B . . 106.5(17) no
N3 C12 C11 . . 178.7(4) no
C12 N3 Ni1 . 4_565 165.0(3) no
C12 N3 Ni1 . . 165.0(3) no
Ni1 N3 Ni1 4_565 . 9.7(3) no
C14 C13 H13A . . 137(3) no
C14 C13 H13B . . 103(2) no
H13A C13 H13B . . 105.7(18) no
N4 C14 C13 . . 178.9(6) no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 O1 . 1.406(6) no
C1 C2 . 1.491(8) no
C1 H1A . 0.9700 no
C1 H1B . 0.9700 no
C2 O2 . 1.423(7) no
C2 H2A . 0.9700 no
C2 H2B . 0.9700 no
C2 H7'1 . 0.87(6) no
C2 H7'2 . 1.26(4) no
C3 O2 . 1.412(6) no
C3 C4 . 1.471(8) no
C3 H3A . 0.9700 no
C3 H3B . 0.9700 no
C4 O3 . 1.423(8) no
C4 H4A . 0.9700 no
C4 H4B . 0.9700 no
C5 C6 4_565 0.856(18) no
C5 C5 4_565 1.10(2) no
C5 O3 . 1.431(9) no
C5 C6 . 1.497(9) no
C5 H5A . 1.001(19) no
C5 H5B . 0.969(19) no
C6 C5 4_565 0.856(18) no
C6 C6 4_565 1.38(3) no
C6 O3 4_565 1.386(17) no
C6 H6A . 0.99(2) no
C6 H6B . 1.04(2) no
O1 C1 4_565 1.406(6) no
O3 C6 4_565 1.386(17) no
C5' C6' 4_565 0.40(4) no
C5' O4'' 4_565 1.38(3) no
C5' O4' 4_565 1.44(4) no
C5' C6' . 1.503(10) no
C5' C5' 4_565 1.87(4) no
C6' C5' 4_565 0.40(4) no
C6' C6' 4_565 1.12(4) no
C6' O4' . 1.422(10) no
C6' O4'' . 1.431(10) no
C7' O4'' . 1.427(9) no
C7' O4' . 1.448(10) no
C7' C8' . 1.503(9) no
C7' H7'1 . 0.99(2) no
C7' H7'2 . 0.99(2) no
C8' O5' . 1.401(8) no
C8' H8'1 . 0.9700 no
C8' H8'2 . 0.9700 no
C9' O5' . 1.418(9) no
C9' C10' . 1.498(9) no
C9' H9'1 . 0.9700 no
C9' H9'2 . 0.9700 no
C10' O1' . 1.408(9) no
C10' H5B . 0.61(6) no
C10' H10A . 0.9700 no
C10' H10B . 0.9700 no
O1' C10' 4_565 1.408(9) no
O1' H6B . 1.20(6) no
O4' O4'' . 1.225(14) no
O4' C5' 4_565 1.44(4) no
O4'' C5' 4_565 1.38(3) no
Ni1 Ni1 4_565 0.349(11) no
Ni1 O8 4_565 1.73(2) no
Ni1 O9' 4_565 1.729(18) no
Ni1 O9' . 1.992(17) no
Ni1 O7 . 2.022(3) no
Ni1 O6 . 2.028(2) no
Ni1 N3 . 2.056(4) no
Ni1 O11 . 2.059(18) no
Ni1 O7 4_565 2.065(4) no
Ni1 O8 . 2.08(2) no
Ni1 O12 . 2.203(19) no
Ni1 O11 4_565 2.407(18) no
O6 Ni1 4_565 2.028(2) no
O6 H6C . 0.812(19) no
O6 H6D . 0.817(19) no
O7 O7 4_565 0.50(3) no
O7 Ni1 4_565 2.065(4) no
O7 H7C . 0.832(19) no
O7 H7D . 0.858(19) no
N1' N2 4_565 0.47(4) no
N1' O11 4_565 0.91(3) no
N1' O10' . 1.219(10) no
N1' O8' . 1.223(10) no
N1' O9' . 1.273(10) no
N1' O13 4_565 1.32(3) no
N1' O12 4_565 1.62(3) no
O8' O11 4_565 0.76(2) no
O8' N2 4_565 1.64(2) no
O9' O12 4_565 0.73(3) no
O9' N2 4_565 1.04(2) no
O9' O11 4_565 1.56(3) no
O9' Ni1 4_565 1.729(18) no
O10' O13 4_565 0.32(7) no
O10' N2 4_565 1.22(3) no
N1 N2 4_565 0.23(3) no
N1 O13 4_565 1.12(3) no
N1 O10 . 1.213(10) no
N1 O11 4_565 1.22(3) no
N1 O9 . 1.220(10) no
N1 O8 . 1.273(10) no
N1 O12 4_565 1.42(2) no
O8 O11 4_565 0.41(3) no
O8 N2 4_565 1.30(3) no
O8 Ni1 4_565 1.73(2) no
O9 O12 4_565 0.601(19) no
O9 N2 4_565 1.03(3) no
O9 O13 4_565 1.61(3) no
O10 O13 4_565 0.77(3) no
O10 N2 4_565 1.40(3) no
N2 N1 4_565 0.23(3) no
N2 N1' 4_565 0.47(4) no
N2 O9 4_565 1.03(3) no
N2 O9' 4_565 1.04(2) no
N2 O13 . 1.210(14) no
N2 O12 . 1.214(15) no
N2 O10' 4_565 1.22(3) no
N2 O11 . 1.284(13) no
N2 O8 4_565 1.30(3) no
N2 O10 4_565 1.40(3) no
N2 O8' 4_565 1.64(2) no
O11 O8 4_565 0.41(3) no
O11 O8' 4_565 0.76(2) no
O11 N1' 4_565 0.91(3) no
O11 N1 4_565 1.22(3) no
O11 O9' 4_565 1.56(3) no
O11 Ni1 4_565 2.407(18) no
O12 O9 4_565 0.601(19) no
O12 O9' 4_565 0.73(3) no
O12 N1 4_565 1.42(2) no
O12 N1' 4_565 1.62(3) no
O12 Ni1 4_565 2.407(19) no
O13 O10' 4_565 0.32(7) no
O13 O10 4_565 0.77(3) no
O13 N1 4_565 1.12(3) no
O13 N1' 4_565 1.32(3) no
O13 O9 4_565 1.61(3) no
C11 C12 . 1.443(6) no
C11 H11A . 0.988(14) no
C11 H11B . 0.977(13) no
C12 N3 . 1.129(5) no
N3 Ni1 4_565 2.056(4) no
C13 C14 . 1.413(7) no
C13 H13A . 0.992(14) no
C13 H13B . 1.003(14) no
C14 N4 . 1.137(6) no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O6 H6C O2 . 0.812(19) 2.05(4) 2.782(4) 150(5)
O6 H6D O4'' 4_565 0.817(19) 1.93(3) 2.724(11) 165(6)
O7 H7C O1 1_554 0.832(19) 2.19(2) 2.947(6) 151(4)
O7 H7D O3 4_564 0.858(19) 1.93(3) 2.776(8) 168(6)
O7 H7C O4' 1_554 0.832(19) 2.12(2) 2.868(13) 150(4)
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O1 C1 C2 O2 . . -63.1(11) no
O2 C3 C4 O3 . . 71.5(14) no
C6 C5 C6 C5 4_565 4_565 180.002(6) no
O3 C5 C6 C5 . 4_565 125.5(13) no
C5 C5 C6 C6 4_565 4_565 179.998(10) no
O3 C5 C6 C6 . 4_565 -54.5(13) no
C6 C5 C6 O3 4_565 4_565 125.8(10) no
C5 C5 C6 O3 4_565 4_565 -54.2(10) no
O3 C5 C6 O3 . 4_565 71.3(16) no
C2 C1 O1 C1 . 4_565 164.2(4) no
C4 C3 O2 C2 . . -169.2(8) no
C1 C2 O2 C3 . . 169.7(7) no
C3 C4 O3 C6 . 4_565 -149.6(15) no
C3 C4 O3 C5 . . -175.8(9) no
C5 C5 O3 C6 4_565 4_565 86.7(19) no
C6 C5 O3 C6 . 4_565 52(2) no
C6 C5 O3 C4 4_565 . 48(2) no
C5 C5 O3 C4 4_565 . 135.1(12) no
C6 C5 O3 C4 . . 100.4(15) no
C6' C5' C6' C5' 4_565 4_565 179.99(8) no
O4'' C5' C6' C5' 4_565 4_565 -153(12) no
O4' C5' C6' C5' 4_565 4_565 156(12) no
O4'' C5' C6' C6' 4_565 4_565 27(12) no
O4' C5' C6' C6' 4_565 4_565 -24(12) no
C5' C5' C6' C6' 4_565 4_565 -179.99(8) no
C6' C5' C6' O4' 4_565 . 29(14) no
O4'' C5' C6' O4' 4_565 . 56(3) no
O4' C5' C6' O4' 4_565 . 5(2) no
C5' C5' C6' O4' 4_565 . -151(14) no
C6' C5' C6' O4'' 4_565 . -34(14) no
O4'' C5' C6' O4'' 4_565 . -7(3) no
O4' C5' C6' O4'' 4_565 . -58(3) no
C5' C5' C6' O4'' 4_565 . 146(14) no
O4'' C7' C8' O5' . . 78.5(14) no
O4' C7' C8' O5' . . 35(2) no
O5' C9' C10' O1' . . -75(2) no
C9' C10' O1' C10' . 4_565 165.0(8) no
C5' C6' O4' O4'' 4_565 . 75(5) no
C6' C6' O4' O4'' 4_565 . -115.3(9) no
C5' C6' O4' O4'' . . -118(2) no
C6' C6' O4' C5' 4_565 4_565 170(5) no
O4'' C6' O4' C5' . 4_565 -75(5) no
C5' C6' O4' C5' . 4_565 166(7) no
C5' C6' O4' C7' 4_565 . 35(5) no
C6' C6' O4' C7' 4_565 . -155.6(8) no
O4'' C6' O4' C7' . . -40.3(11) no
C5' C6' O4' C7' . . -158.7(18) no
C8' C7' O4' O4'' . . 61.8(17) no
O4'' C7' O4' C6' . . 40.7(11) no
C8' C7' O4' C6' . . 103(2) no
O4'' C7' O4' C5' . 4_565 50.1(13) no
C8' C7' O4' C5' . 4_565 112(2) no
C6' O4' O4'' C5' . 4_565 -17.7(17) no
C7' O4' O4'' C5' . 4_565 121.8(13) no
C6' O4' O4'' C7' . . -139.5(13) no
C5' O4' O4'' C7' 4_565 . -121.8(13) no
C5' O4' O4'' C6' 4_565 . 17.7(17) no
C7' O4' O4'' C6' . . 139.5(13) no
C8' C7' O4'' O4' . . -136.4(14) no
O4' C7' O4'' C5' . 4_565 -54.4(15) no
C8' C7' O4'' C5' . 4_565 169.2(15) no
O4' C7' O4'' C6' . . -40.8(12) no
C8' C7' O4'' C6' . . -177.1(14) no
C5' C6' O4'' O4' 4_565 . -95(5) no
C6' C6' O4'' O4' 4_565 . 96.8(10) no
C5' C6' O4'' O4' . . 101(3) no
C6' C6' O4'' C5' 4_565 4_565 -168(6) no
O4' C6' O4'' C5' . 4_565 95(5) no
C5' C6' O4'' C5' . 4_565 -164(8) no
C5' C6' O4'' C7' 4_565 . -54(6) no
C6' C6' O4'' C7' 4_565 . 138.2(11) no
O4' C6' O4'' C7' . . 41.4(12) no
C5' C6' O4'' C7' . . 142(2) no
C7' C8' O5' C9' . . -164.0(18) no
C10' C9' O5' C8' . . 167.7(17) no
O8 Ni1 O6 Ni1 4_565 4_565 179.3(9) no
O9' Ni1 O6 Ni1 4_565 4_565 135.0(11) no
O9' Ni1 O6 Ni1 . 4_565 37.4(10) no
O7 Ni1 O6 Ni1 . 4_565 54(5) no
N3 Ni1 O6 Ni1 . 4_565 -85.17(15) no
O11 Ni1 O6 Ni1 . 4_565 -177.8(3) no
O7 Ni1 O6 Ni1 4_565 4_565 12.7(6) no
O8 Ni1 O6 Ni1 . 4_565 0.6(7) no
O12 Ni1 O6 Ni1 . 4_565 122.6(3) no
O11 Ni1 O6 Ni1 4_565 4_565 -1.9(3) no
Ni1 Ni1 O7 O7 4_565 4_565 0.001(3) no
O8 Ni1 O7 O7 4_565 4_565 -179.5(9) no
O9' Ni1 O7 O7 4_565 4_565 -135.5(11) no
O9' Ni1 O7 O7 . 4_565 -37.1(10) no
O6 Ni1 O7 O7 . 4_565 -53(5) no
N3 Ni1 O7 O7 . 4_565 85.27(17) no
O11 Ni1 O7 O7 . 4_565 178.0(3) no
O8 Ni1 O7 O7 . 4_565 -0.4(7) no
O12 Ni1 O7 O7 . 4_565 -122.2(3) no
O11 Ni1 O7 O7 4_565 4_565 1.7(3) no
O8 Ni1 O7 Ni1 4_565 4_565 -179.5(9) no
O9' Ni1 O7 Ni1 4_565 4_565 -135.5(11) no
O9' Ni1 O7 Ni1 . 4_565 -37.1(10) no
O6 Ni1 O7 Ni1 . 4_565 -53(5) no
N3 Ni1 O7 Ni1 . 4_565 85.27(17) no
O11 Ni1 O7 Ni1 . 4_565 178.0(3) no
O7 Ni1 O7 Ni1 4_565 4_565 -0.001(6) no
O8 Ni1 O7 Ni1 . 4_565 -0.4(7) no
O12 Ni1 O7 Ni1 . 4_565 -122.2(3) no
O11 Ni1 O7 Ni1 4_565 4_565 1.7(3) no
N2 N1' O8' O11 4_565 4_565 -98(10) no
O10' N1' O8' O11 . 4_565 158(6) no
O9' N1' O8' O11 . 4_565 -32(3) no
O13 N1' O8' O11 4_565 4_565 169(6) no
O12 N1' O8' O11 4_565 4_565 -61(4) no
O11 N1' O8' N2 4_565 4_565 98(10) no
O10' N1' O8' N2 . 4_565 -103(13) no
O9' N1' O8' N2 . 4_565 67(8) no
O13 N1' O8' N2 4_565 4_565 -93(13) no
O12 N1' O8' N2 4_565 4_565 38(7) no
N2 N1' O9' O12 4_565 4_565 9(8) no
O11 N1' O9' O12 4_565 4_565 -149(4) no
O10' N1' O9' O12 . 4_565 39(5) no
O8' N1' O9' O12 . 4_565 -130(5) no
O13 N1' O9' O12 4_565 4_565 31(4) no
O11 N1' O9' N2 4_565 4_565 -158(11) no
O10' N1' O9' N2 . 4_565 30(4) no
O8' N1' O9' N2 . 4_565 -139(12) no
O13 N1' O9' N2 4_565 4_565 22(5) no
O12 N1' O9' N2 4_565 4_565 -9(8) no
N2 N1' O9' O11 4_565 4_565 158(11) no
O10' N1' O9' O11 . 4_565 -172(8) no
O8' N1' O9' O11 . 4_565 19(2) no
O13 N1' O9' O11 4_565 4_565 180(6) no
O12 N1' O9' O11 4_565 4_565 149(4) no
N2 N1' O9' Ni1 4_565 4_565 144(7) no
O11 N1' O9' Ni1 4_565 4_565 -14(4) no
O10' N1' O9' Ni1 . 4_565 174(5) no
O8' N1' O9' Ni1 . 4_565 5(5) no
O13 N1' O9' Ni1 4_565 4_565 166(3) no
O12 N1' O9' Ni1 4_565 4_565 134(4) no
N2 N1' O9' Ni1 4_565 . 142(7) no
O11 N1' O9' Ni1 4_565 . -16(4) no
O10' N1' O9' Ni1 . . 172(5) no
O8' N1' O9' Ni1 . . 3(6) no
O13 N1' O9' Ni1 4_565 . 164(3) no
O12 N1' O9' Ni1 4_565 . 133(4) no
Ni1 Ni1 O9' O12 4_565 4_565 141(2) no
O8 Ni1 O9' O12 4_565 4_565 -44(3) no
O9' Ni1 O9' O12 4_565 4_565 -39(2) no
O7 Ni1 O9' O12 . 4_565 -119(2) no
O6 Ni1 O9' O12 . 4_565 60(2) no
N3 Ni1 O9' O12 . 4_565 149.2(19) no
O11 Ni1 O9' O12 . 4_565 -34(2) no
O7 Ni1 O9' O12 4_565 4_565 -128(2) no
O8 Ni1 O9' O12 . 4_565 145(3) no
O12 Ni1 O9' O12 . 4_565 -28.3(18) no
O11 Ni1 O9' O12 4_565 4_565 137(2) no
Ni1 Ni1 O9' N2 4_565 4_565 31(4) no
O8 Ni1 O9' N2 4_565 4_565 -154(4) no
O9' Ni1 O9' N2 4_565 4_565 -149(4) no
O7 Ni1 O9' N2 . 4_565 131(4) no
O6 Ni1 O9' N2 . 4_565 -50(4) no
N3 Ni1 O9' N2 . 4_565 39(5) no
O11 Ni1 O9' N2 . 4_565 -144(4) no
O7 Ni1 O9' N2 4_565 4_565 122(5) no
O8 Ni1 O9' N2 . 4_565 35(4) no
O12 Ni1 O9' N2 . 4_565 -138(4) no
O11 Ni1 O9' N2 4_565 4_565 27(3) no
Ni1 Ni1 O9' N1' 4_565 . 13(3) no
O8 Ni1 O9' N1' 4_565 . -171(3) no
O9' Ni1 O9' N1' 4_565 . -167(3) no
O7 Ni1 O9' N1' . . 114(3) no
O6 Ni1 O9' N1' . . -68(3) no
N3 Ni1 O9' N1' . . 22(3) no
O11 Ni1 O9' N1' . . -161(3) no
O7 Ni1 O9' N1' 4_565 . 105(3) no
O8 Ni1 O9' N1' . . 17(3) no
O12 Ni1 O9' N1' . . -156(3) no
O11 Ni1 O9' N1' 4_565 . 9(3) no
Ni1 Ni1 O9' O11 4_565 4_565 4.2(6) no
O8 Ni1 O9' O11 4_565 4_565 179.6(12) no
O9' Ni1 O9' O11 4_565 4_565 -175.8(6) no
O7 Ni1 O9' O11 . 4_565 104.3(13) no
O6 Ni1 O9' O11 . 4_565 -77.1(12) no
N3 Ni1 O9' O11 . 4_565 12.5(16) no
O11 Ni1 O9' O11 . 4_565 -170.3(13) no
O7 Ni1 O9' O11 4_565 4_565 95.6(14) no
O8 Ni1 O9' O11 . 4_565 8.2(18) no
O12 Ni1 O9' O11 . 4_565 -165.0(12) no
O8 Ni1 O9' Ni1 4_565 4_565 175.4(15) no
O9' Ni1 O9' Ni1 4_565 4_565 179.995(6) no
O7 Ni1 O9' Ni1 . 4_565 100.0(11) no
O6 Ni1 O9' Ni1 . 4_565 -81.3(10) no
N3 Ni1 O9' Ni1 . 4_565 8.3(14) no
O11 Ni1 O9' Ni1 . 4_565 -174.5(8) no
O7 Ni1 O9' Ni1 4_565 4_565 91.3(12) no
O8 Ni1 O9' Ni1 . 4_565 4.0(14) no
O12 Ni1 O9' Ni1 . 4_565 -169.2(10) no
O11 Ni1 O9' Ni1 4_565 4_565 -4.2(6) no
N2 N1' O10' O13 4_565 4_565 -10(16) no
O11 N1' O10' O13 4_565 4_565 161(13) no
O8' N1' O10' O13 . 4_565 137(13) no
O9' N1' O10' O13 . 4_565 -33(16) no
O12 N1' O10' O13 4_565 4_565 -17(15) no
O11 N1' O10' N2 4_565 4_565 171(16) no
O8' N1' O10' N2 . 4_565 147(11) no
O9' N1' O10' N2 . 4_565 -23(4) no
O13 N1' O10' N2 4_565 4_565 10(16) no
O12 N1' O10' N2 4_565 4_565 -6(5) no
N2 N1 O8 O11 4_565 4_565 123(10) no
O13 N1 O8 O11 4_565 4_565 -26(9) no
O10 N1 O8 O11 . 4_565 -35(6) no
O9 N1 O8 O11 . 4_565 145(6) no
O12 N1 O8 O11 4_565 4_565 148(6) no
O13 N1 O8 N2 4_565 4_565 -149(11) no
O10 N1 O8 N2 . 4_565 -158(7) no
O11 N1 O8 N2 4_565 4_565 -123(10) no
O9 N1 O8 N2 . 4_565 22(7) no
O12 N1 O8 N2 4_565 4_565 25(7) no
N2 N1 O8 Ni1 4_565 4_565 -17(7) no
O13 N1 O8 Ni1 4_565 4_565 -166(5) no
O10 N1 O8 Ni1 . 4_565 -175(2) no
O11 N1 O8 Ni1 4_565 4_565 -140(8) no
O9 N1 O8 Ni1 . 4_565 5(2) no
O12 N1 O8 Ni1 4_565 4_565 8(2) no
N2 N1 O8 Ni1 4_565 . -17(7) no
O13 N1 O8 Ni1 4_565 . -166(5) no
O10 N1 O8 Ni1 . . -176(2) no
O11 N1 O8 Ni1 4_565 . -141(7) no
O9 N1 O8 Ni1 . . 4(2) no
O12 N1 O8 Ni1 4_565 . 7.2(18) no
Ni1 Ni1 O8 O11 4_565 4_565 -12(8) no
O8 Ni1 O8 O11 4_565 4_565 168(8) no
O9' Ni1 O8 O11 4_565 4_565 -124(8) no
O9' Ni1 O8 O11 . 4_565 -118(9) no
O7 Ni1 O8 O11 . 4_565 160(9) no
O6 Ni1 O8 O11 . 4_565 -24(9) no
N3 Ni1 O8 O11 . 4_565 65(9) no
O11 Ni1 O8 O11 . 4_565 4E1(2) no
O7 Ni1 O8 O11 4_565 4_565 159(9) no
O12 Ni1 O8 O11 . 4_565 -110(9) no
Ni1 Ni1 O8 N1 4_565 . 90(15) no
O8 Ni1 O8 N1 4_565 . -91(15) no
O9' Ni1 O8 N1 4_565 . -23(3) no
O9' Ni1 O8 N1 . . -17.2(12) no
O7 Ni1 O8 N1 . . -99(2) no
O6 Ni1 O8 N1 . . 77(2) no
N3 Ni1 O8 N1 . . 166(2) no
O11 Ni1 O8 N1 . . 136(12) no
O7 Ni1 O8 N1 4_565 . -99(2) no
O12 Ni1 O8 N1 . . -9(2) no
O11 Ni1 O8 N1 4_565 . 101(9) no
Ni1 Ni1 O8 N2 4_565 4_565 86(15) no
O8 Ni1 O8 N2 4_565 4_565 -94(15) no
O9' Ni1 O8 N2 4_565 4_565 -26(3) no
O9' Ni1 O8 N2 . 4_565 -20.5(15) no
O7 Ni1 O8 N2 . 4_565 -103(2) no
O6 Ni1 O8 N2 . 4_565 74(2) no
N3 Ni1 O8 N2 . 4_565 163(2) no
O11 Ni1 O8 N2 . 4_565 133(12) no
O7 Ni1 O8 N2 4_565 4_565 -103(2) no
O12 Ni1 O8 N2 . 4_565 -12(3) no
O11 Ni1 O8 N2 4_565 4_565 98(9) no
O8 Ni1 O8 Ni1 4_565 4_565 18E1(10) no
O9' Ni1 O8 Ni1 4_565 4_565 -112(15) no
O9' Ni1 O8 Ni1 . 4_565 -107(15) no
O7 Ni1 O8 Ni1 . 4_565 171(16) no
O6 Ni1 O8 Ni1 . 4_565 -13(15) no
N3 Ni1 O8 Ni1 . 4_565 77(16) no
O11 Ni1 O8 Ni1 . 4_565 5E1(2) no
O7 Ni1 O8 Ni1 4_565 4_565 171(16) no
O12 Ni1 O8 Ni1 . 4_565 -99(16) no
O11 Ni1 O8 Ni1 4_565 4_565 12(8) no
N2 N1 O9 O12 4_565 4_565 51(14) no
O13 N1 O9 O12 4_565 4_565 -176(3) no
O10 N1 O9 O12 . 4_565 -172(3) no
O11 N1 O9 O12 4_565 4_565 22(4) no
O8 N1 O9 O12 . 4_565 8(3) no
O13 N1 O9 N2 4_565 4_565 132(15) no
O10 N1 O9 N2 . 4_565 136(14) no
O11 N1 O9 N2 4_565 4_565 -30(14) no
O8 N1 O9 N2 . 4_565 -44(14) no
O12 N1 O9 N2 4_565 4_565 -51(14) no
N2 N1 O9 O13 4_565 4_565 -132(15) no
O10 N1 O9 O13 . 4_565 4(3) no
O11 N1 O9 O13 4_565 4_565 -162(3) no
O8 N1 O9 O13 . 4_565 -176(3) no
O12 N1 O9 O13 4_565 4_565 176(3) no
N2 N1 O10 O13 4_565 4_565 31(11) no
O11 N1 O10 O13 4_565 4_565 163(4) no
O9 N1 O10 O13 . 4_565 -6(4) no
O8 N1 O10 O13 . 4_565 174(4) no
O12 N1 O10 O13 4_565 4_565 -12(5) no
O13 N1 O10 N2 4_565 4_565 -31(11) no
O11 N1 O10 N2 4_565 4_565 132(12) no
O9 N1 O10 N2 . 4_565 -37(12) no
O8 N1 O10 N2 . 4_565 143(12) no
O12 N1 O10 N2 4_565 4_565 -44(12) no
N1 N2 O11 O8 4_565 4_565 -121(11) no
N1' N2 O11 O8 4_565 4_565 -138(15) no
O9 N2 O11 O8 4_565 4_565 34(8) no
O9' N2 O11 O8 4_565 4_565 11(6) no
O13 N2 O11 O8 . 4_565 -150(6) no
O12 N2 O11 O8 . 4_565 28(6) no
O10' N2 O11 O8 4_565 4_565 -146(7) no
O10 N2 O11 O8 4_565 4_565 -143(6) no
O8' N2 O11 O8 4_565 4_565 170(7) no
N1 N2 O11 O8' 4_565 4_565 70(8) no
N1' N2 O11 O8' 4_565 4_565 52(14) no
O9 N2 O11 O8' 4_565 4_565 -136(4) no
O9' N2 O11 O8' 4_565 4_565 -158(2) no
O13 N2 O11 O8' . 4_565 40(3) no
O12 N2 O11 O8' . 4_565 -142(2) no
O10' N2 O11 O8' 4_565 4_565 44(3) no
O8 N2 O11 O8' 4_565 4_565 -170(7) no
O10 N2 O11 O8' 4_565 4_565 47(3) no
N1 N2 O11 N1' 4_565 4_565 18(11) no
O9 N2 O11 N1' 4_565 4_565 172(17) no
O9' N2 O11 N1' 4_565 4_565 150(15) no
O13 N2 O11 N1' . 4_565 -12(12) no
O12 N2 O11 N1' . 4_565 166(15) no
O10' N2 O11 N1' 4_565 4_565 -8(13) no
O8 N2 O11 N1' 4_565 4_565 138(15) no
O10 N2 O11 N1' 4_565 4_565 -5(13) no
O8' N2 O11 N1' 4_565 4_565 -52(14) no
N1' N2 O11 N1 4_565 4_565 -18(11) no
O9 N2 O11 N1 4_565 4_565 155(11) no
O9' N2 O11 N1 4_565 4_565 132(9) no
O13 N2 O11 N1 . 4_565 -30(7) no
O12 N2 O11 N1 . 4_565 148(9) no
O10' N2 O11 N1 4_565 4_565 -25(7) no
O8 N2 O11 N1 4_565 4_565 121(11) no
O10 N2 O11 N1 4_565 4_565 -23(6) no
O8' N2 O11 N1 4_565 4_565 -70(8) no
N1 N2 O11 O9' 4_565 4_565 -132(9) no
N1' N2 O11 O9' 4_565 4_565 -150(15) no
O9 N2 O11 O9' 4_565 4_565 23(4) no
O13 N2 O11 O9' . 4_565 -162(4) no
O12 N2 O11 O9' . 4_565 16.2(16) no
O10' N2 O11 O9' 4_565 4_565 -157(3) no
O8 N2 O11 O9' 4_565 4_565 -11(6) no
O10 N2 O11 O9' 4_565 4_565 -155(3) no
O8' N2 O11 O9' 4_565 4_565 158(2) no
N1 N2 O11 Ni1 4_565 . -150(8) no
N1' N2 O11 Ni1 4_565 . -168(14) no
O9 N2 O11 Ni1 4_565 . 4(4) no
O9' N2 O11 Ni1 4_565 . -18.4(19) no
O13 N2 O11 Ni1 . . 180(2) no
O12 N2 O11 Ni1 . . -2.2(18) no
O10' N2 O11 Ni1 4_565 . -176(3) no
O8 N2 O11 Ni1 4_565 . -30(6) no
O10 N2 O11 Ni1 4_565 . -173.2(18) no
O8' N2 O11 Ni1 4_565 . 140(2) no
N1 N2 O11 Ni1 4_565 4_565 -151(8) no
N1' N2 O11 Ni1 4_565 4_565 -169(14) no
O9 N2 O11 Ni1 4_565 4_565 4(4) no
O9' N2 O11 Ni1 4_565 4_565 -18.9(19) no
O13 N2 O11 Ni1 . 4_565 179(2) no
O12 N2 O11 Ni1 . 4_565 -2.7(18) no
O10' N2 O11 Ni1 4_565 4_565 -176(3) no
O8 N2 O11 Ni1 4_565 4_565 -30(6) no
O10 N2 O11 Ni1 4_565 4_565 -173.7(18) no
O8' N2 O11 Ni1 4_565 4_565 139(2) no
Ni1 Ni1 O11 O8 4_565 4_565 171(5) no
O9' Ni1 O11 O8 4_565 4_565 -56(9) no
O9' Ni1 O11 O8 . 4_565 -63(9) no
O7 Ni1 O11 O8 . 4_565 20(9) no
O6 Ni1 O11 O8 . 4_565 -156(9) no
N3 Ni1 O11 O8 . 4_565 115(9) no
O7 Ni1 O11 O8 4_565 4_565 21(9) no
O8 Ni1 O11 O8 . 4_565 15E1(2) no
O12 Ni1 O11 O8 . 4_565 -69(9) no
O11 Ni1 O11 O8 4_565 4_565 171(5) no
Ni1 Ni1 O11 O8' 4_565 4_565 -3(7) no
O8 Ni1 O11 O8' 4_565 4_565 -175(10) no
O9' Ni1 O11 O8' 4_565 4_565 130(3) no
O9' Ni1 O11 O8' . 4_565 122(2) no
O7 Ni1 O11 O8' . 4_565 -154(3) no
O6 Ni1 O11 O8' . 4_565 29(3) no
N3 Ni1 O11 O8' . 4_565 -60(3) no
O7 Ni1 O11 O8' 4_565 4_565 -154(3) no
O8 Ni1 O11 O8' . 4_565 -30(14) no
O12 Ni1 O11 O8' . 4_565 116(3) no
O11 Ni1 O11 O8' 4_565 4_565 -3(7) no
Ni1 Ni1 O11 N1' 4_565 4_565 -121(5) no
O8 Ni1 O11 N1' 4_565 4_565 67(9) no
O9' Ni1 O11 N1' 4_565 4_565 12(3) no
O9' Ni1 O11 N1' . 4_565 4(3) no
O7 Ni1 O11 N1' . 4_565 88(3) no
O6 Ni1 O11 N1' . 4_565 -89(3) no
N3 Ni1 O11 N1' . 4_565 -178(3) no
O7 Ni1 O11 N1' 4_565 4_565 88(3) no
O8 Ni1 O11 N1' . 4_565 -148(14) no
O12 Ni1 O11 N1' . 4_565 -2(3) no
O11 Ni1 O11 N1' 4_565 4_565 -121(5) no
Ni1 Ni1 O11 N1 4_565 4_565 -123(4) no
O8 Ni1 O11 N1 4_565 4_565 65(8) no
O9' Ni1 O11 N1 4_565 4_565 9.7(14) no
O9' Ni1 O11 N1 . 4_565 2(2) no
O7 Ni1 O11 N1 . 4_565 85.6(13) no
O6 Ni1 O11 N1 . 4_565 -90.7(13) no
N3 Ni1 O11 N1 . 4_565 179.9(12) no
O7 Ni1 O11 N1 4_565 4_565 86.1(13) no
O8 Ni1 O11 N1 . 4_565 -150(14) no
O12 Ni1 O11 N1 . 4_565 -3.9(11) no
O11 Ni1 O11 N1 4_565 4_565 -123(4) no
Ni1 Ni1 O11 N2 4_565 . -118(5) no
O8 Ni1 O11 N2 4_565 . 70(9) no
O9' Ni1 O11 N2 4_565 . 14.8(16) no
O9' Ni1 O11 N2 . . 7.4(19) no
O7 Ni1 O11 N2 . . 90.8(12) no
O6 Ni1 O11 N2 . . -85.5(12) no
N3 Ni1 O11 N2 . . -175.0(12) no
O7 Ni1 O11 N2 4_565 . 91.3(12) no
O8 Ni1 O11 N2 . . -144(14) no
O12 Ni1 O11 N2 . . 1.3(10) no
O11 Ni1 O11 N2 4_565 . -118(5) no
Ni1 Ni1 O11 O9' 4_565 4_565 -133(5) no
O8 Ni1 O11 O9' 4_565 4_565 56(9) no
O9' Ni1 O11 O9' . 4_565 -7.4(11) no
O7 Ni1 O11 O9' . 4_565 76.0(14) no
O6 Ni1 O11 O9' . 4_565 -100.3(14) no
N3 Ni1 O11 O9' . 4_565 170.2(14) no
O7 Ni1 O11 O9' 4_565 4_565 76.5(14) no
O8 Ni1 O11 O9' . 4_565 -159(14) no
O12 Ni1 O11 O9' . 4_565 -13.5(12) no
O11 Ni1 O11 O9' 4_565 4_565 -133(5) no
O8 Ni1 O11 Ni1 4_565 4_565 -171(5) no
O9' Ni1 O11 Ni1 4_565 4_565 133(5) no
O9' Ni1 O11 Ni1 . 4_565 125(5) no
O7 Ni1 O11 Ni1 . 4_565 -151(5) no
O6 Ni1 O11 Ni1 . 4_565 33(5) no
N3 Ni1 O11 Ni1 . 4_565 -57(5) no
O7 Ni1 O11 Ni1 4_565 4_565 -151(5) no
O8 Ni1 O11 Ni1 . 4_565 -26(16) no
O12 Ni1 O11 Ni1 . 4_565 119(5) no
O11 Ni1 O11 Ni1 4_565 4_565 0.06(12) no
N1 N2 O12 O9 4_565 4_565 -95(17) no
N1' N2 O12 O9 4_565 4_565 -175(15) no
O9' N2 O12 O9 4_565 4_565 -160(4) no
O13 N2 O12 O9 . 4_565 -9(3) no
O10' N2 O12 O9 4_565 4_565 -16(4) no
O11 N2 O12 O9 . 4_565 173(4) no
O8 N2 O12 O9 4_565 4_565 -179(3) no
O10 N2 O12 O9 4_565 4_565 -26(6) no
O8' N2 O12 O9 4_565 4_565 149(4) no
N1 N2 O12 O9' 4_565 4_565 65(17) no
N1' N2 O12 O9' 4_565 4_565 -15(14) no
O9 N2 O12 O9' 4_565 4_565 160(4) no
O13 N2 O12 O9' . 4_565 150(3) no
O10' N2 O12 O9' 4_565 4_565 144(4) no
O11 N2 O12 O9' . 4_565 -28(2) no
O8 N2 O12 O9' 4_565 4_565 -19(2) no
O10 N2 O12 O9' 4_565 4_565 133(6) no
O8' N2 O12 O9' 4_565 4_565 -51(3) no
N1' N2 O12 N1 4_565 4_565 -8E1(2) no
O9 N2 O12 N1 4_565 4_565 95(17) no
O9' N2 O12 N1 4_565 4_565 -65(17) no
O13 N2 O12 N1 . 4_565 86(17) no
O10' N2 O12 N1 4_565 4_565 79(16) no
O11 N2 O12 N1 . 4_565 -92(17) no
O8 N2 O12 N1 4_565 4_565 -84(17) no
O10 N2 O12 N1 4_565 4_565 69(16) no
O8' N2 O12 N1 4_565 4_565 -116(18) no
N1 N2 O12 N1' 4_565 4_565 8E1(3) no
O9 N2 O12 N1' 4_565 4_565 175(15) no
O9' N2 O12 N1' 4_565 4_565 15(14) no
O13 N2 O12 N1' . 4_565 166(16) no
O10' N2 O12 N1' 4_565 4_565 159(17) no
O11 N2 O12 N1' . 4_565 -12(13) no
O8 N2 O12 N1' 4_565 4_565 -4(14) no
O10 N2 O12 N1' 4_565 4_565 148(19) no
O8' N2 O12 N1' 4_565 4_565 -36(12) no
N1 N2 O12 Ni1 4_565 . 94(17) no
N1' N2 O12 Ni1 4_565 . 14(14) no
O9 N2 O12 Ni1 4_565 . -171(3) no
O9' N2 O12 Ni1 4_565 . 30(2) no
O13 N2 O12 Ni1 . . 180(2) no
O10' N2 O12 Ni1 4_565 . 173(4) no
O11 N2 O12 Ni1 . . 2.1(17) no
O8 N2 O12 Ni1 4_565 . 10.4(18) no
O10 N2 O12 Ni1 4_565 . 163(5) no
O8' N2 O12 Ni1 4_565 . -21(3) no
N1 N2 O12 Ni1 4_565 4_565 95(17) no
N1' N2 O12 Ni1 4_565 4_565 15(14) no
O9 N2 O12 Ni1 4_565 4_565 -170(3) no
O9' N2 O12 Ni1 4_565 4_565 30(2) no
O13 N2 O12 Ni1 . 4_565 -179(2) no
O10' N2 O12 Ni1 4_565 4_565 174(4) no
O11 N2 O12 Ni1 . 4_565 2.7(18) no
O8 N2 O12 Ni1 4_565 4_565 11.1(19) no
O10 N2 O12 Ni1 4_565 4_565 163(5) no
O8' N2 O12 Ni1 4_565 4_565 -21(3) no
Ni1 Ni1 O12 O9 4_565 4_565 160(5) no
O8 Ni1 O12 O9 4_565 4_565 -23(5) no
O9' Ni1 O12 O9 4_565 4_565 -53(5) no
O9' Ni1 O12 O9 . 4_565 168(5) no
O7 Ni1 O12 O9 . 4_565 -107(5) no
O6 Ni1 O12 O9 . 4_565 77(5) no
N3 Ni1 O12 O9 . 4_565 -7(5) no
O11 Ni1 O12 O9 . 4_565 -16(5) no
O7 Ni1 O12 O9 4_565 4_565 -119(5) no
O8 Ni1 O12 O9 . 4_565 163(5) no
O11 Ni1 O12 O9 4_565 4_565 156(5) no
Ni1 Ni1 O12 O9' 4_565 4_565 -146(2) no
O8 Ni1 O12 O9' 4_565 4_565 30(2) no
O9' Ni1 O12 O9' . 4_565 -139(2) no
O7 Ni1 O12 O9' . 4_565 -54(2) no
O6 Ni1 O12 O9' . 4_565 131(2) no
N3 Ni1 O12 O9' . 4_565 46(2) no
O11 Ni1 O12 O9' . 4_565 38(2) no
O7 Ni1 O12 O9' 4_565 4_565 -66(2) no
O8 Ni1 O12 O9' . 4_565 -143(2) no
O11 Ni1 O12 O9' 4_565 4_565 -150(2) no
Ni1 Ni1 O12 N2 4_565 . 174.4(10) no
O8 Ni1 O12 N2 4_565 . -9.2(16) no
O9' Ni1 O12 N2 4_565 . -39(2) no
O9' Ni1 O12 N2 . . -177.8(12) no
O7 Ni1 O12 N2 . . -92.9(11) no
O6 Ni1 O12 N2 . . 91.5(11) no
N3 Ni1 O12 N2 . . 6.7(12) no
O11 Ni1 O12 N2 . . -1.3(11) no
O7 Ni1 O12 N2 4_565 . -104.8(11) no
O8 Ni1 O12 N2 . . 177.4(14) no
O11 Ni1 O12 N2 4_565 . 170.6(11) no
Ni1 Ni1 O12 N1 4_565 4_565 179.0(6) no
O8 Ni1 O12 N1 4_565 4_565 -4.6(11) no
O9' Ni1 O12 N1 4_565 4_565 -35(2) no
O9' Ni1 O12 N1 . 4_565 -173.2(10) no
O7 Ni1 O12 N1 . 4_565 -88.3(9) no
O6 Ni1 O12 N1 . 4_565 96.1(7) no
N3 Ni1 O12 N1 . 4_565 11.3(11) no
O11 Ni1 O12 N1 . 4_565 3.2(9) no
O7 Ni1 O12 N1 4_565 4_565 -100.2(8) no
O8 Ni1 O12 N1 . 4_565 -178.1(14) no
O11 Ni1 O12 N1 4_565 4_565 175.2(6) no
Ni1 Ni1 O12 N1' 4_565 4_565 176.8(17) no
O8 Ni1 O12 N1' 4_565 4_565 -7(2) no
O9' Ni1 O12 N1' 4_565 4_565 -37(3) no
O9' Ni1 O12 N1' . 4_565 -175.4(18) no
O7 Ni1 O12 N1' . 4_565 -90.5(17) no
O6 Ni1 O12 N1' . 4_565 93.9(17) no
N3 Ni1 O12 N1' . 4_565 9.1(19) no
O11 Ni1 O12 N1' . 4_565 1.0(17) no
O7 Ni1 O12 N1' 4_565 4_565 -102.4(18) no
O8 Ni1 O12 N1' . 4_565 179.7(19) no
O11 Ni1 O12 N1' 4_565 4_565 173.0(18) no
O8 Ni1 O12 Ni1 4_565 4_565 176.4(12) no
O9' Ni1 O12 Ni1 4_565 4_565 146(2) no
O9' Ni1 O12 Ni1 . 4_565 7.8(6) no
O7 Ni1 O12 Ni1 . 4_565 92.7(4) no
O6 Ni1 O12 Ni1 . 4_565 -82.9(2) no
N3 Ni1 O12 Ni1 . 4_565 -167.7(6) no
O11 Ni1 O12 Ni1 . 4_565 -175.7(5) no
O7 Ni1 O12 Ni1 4_565 4_565 80.8(4) no
O8 Ni1 O12 Ni1 . 4_565 3.0(10) no
O11 Ni1 O12 Ni1 4_565 4_565 -3.8(4) no
N1 N2 O13 O10' 4_565 4_565 -15(14) no
N1' N2 O13 O10' 4_565 4_565 10(15) no
O9 N2 O13 O10' 4_565 4_565 -166(13) no
O9' N2 O13 O10' 4_565 4_565 -127(13) no
O12 N2 O13 O10' . 4_565 -162(12) no
O11 N2 O13 O10' . 4_565 16(14) no
O8 N2 O13 O10' 4_565 4_565 3(14) no
O10 N2 O13 O10' 4_565 4_565 3(11) no
O8' N2 O13 O10' 4_565 4_565 33(13) no
N1 N2 O13 O10 4_565 4_565 -19(6) no
N1' N2 O13 O10 4_565 4_565 7(9) no
O9 N2 O13 O10 4_565 4_565 -170(5) no
O9' N2 O13 O10 4_565 4_565 -130(7) no
O12 N2 O13 O10 . 4_565 -165(4) no
O10' N2 O13 O10 4_565 4_565 -3(11) no
O11 N2 O13 O10 . 4_565 13(5) no
O8 N2 O13 O10 4_565 4_565 0(6) no
O8' N2 O13 O10 4_565 4_565 30(4) no
N1' N2 O13 N1 4_565 4_565 26(8) no
O9 N2 O13 N1 4_565 4_565 -151(9) no
O9' N2 O13 N1 4_565 4_565 -112(11) no
O12 N2 O13 N1 . 4_565 -146(9) no
O10' N2 O13 N1 4_565 4_565 15(14) no
O11 N2 O13 N1 . 4_565 31(7) no
O8 N2 O13 N1 4_565 4_565 18(7) no
O10 N2 O13 N1 4_565 4_565 19(6) no
O8' N2 O13 N1 4_565 4_565 49(8) no
N1 N2 O13 N1' 4_565 4_565 -26(8) no
O9 N2 O13 N1' 4_565 4_565 -176(9) no
O9' N2 O13 N1' 4_565 4_565 -137(12) no
O12 N2 O13 N1' . 4_565 -172(9) no
O10' N2 O13 N1' 4_565 4_565 -10(15) no
O11 N2 O13 N1' . 4_565 6(6) no
O8 N2 O13 N1' 4_565 4_565 -7(6) no
O10 N2 O13 N1' 4_565 4_565 -7(9) no
O8' N2 O13 N1' 4_565 4_565 23(7) no
N1 N2 O13 O9 4_565 4_565 151(9) no
N1' N2 O13 O9 4_565 4_565 176(9) no
O9' N2 O13 O9 4_565 4_565 39(6) no
O12 N2 O13 O9 . 4_565 4.6(17) no
O10' N2 O13 O9 4_565 4_565 166(13) no
O11 N2 O13 O9 . 4_565 -178(3) no
O8 N2 O13 O9 4_565 4_565 169(4) no
O10 N2 O13 O9 4_565 4_565 170(5) no
O8' N2 O13 O9 4_565 4_565 -160(3) no
C11 C12 N3 Ni1 . 4_565 -19.2(7) no
C11 C12 N3 Ni1 . . 19.2(7) no
Ni1 Ni1 N3 C12 4_565 . -108.6(7) no
O8 Ni1 N3 C12 4_565 . 74.4(12) no
O9' Ni1 N3 C12 4_565 . 79.0(13) no
O9' Ni1 N3 C12 . . -113.7(10) no
O7 Ni1 N3 C12 . . 159.6(7) no
O6 Ni1 N3 C12 . . -23.5(8) no
O11 Ni1 N3 C12 . . 67.9(8) no
O7 Ni1 N3 C12 4_565 . 173.6(7) no
O8 Ni1 N3 C12 . . -111.1(11) no
O12 Ni1 N3 C12 . . 61.0(10) no
O11 Ni1 N3 C12 4_565 . -105.6(8) no
O8 Ni1 N3 Ni1 4_565 4_565 -177.0(10) no
O9' Ni1 N3 Ni1 4_565 4_565 -172.4(11) no
O9' Ni1 N3 Ni1 . 4_565 -5.1(8) no
O7 Ni1 N3 Ni1 . 4_565 -91.8(5) no
O6 Ni1 N3 Ni1 . 4_565 85.10(16) no
O11 Ni1 N3 Ni1 . 4_565 176.5(4) no
O7 Ni1 N3 Ni1 4_565 4_565 -77.8(5) no
O8 Ni1 N3 Ni1 . 4_565 -2.5(8) no
O12 Ni1 N3 Ni1 . 4_565 169.6(5) no
O11 Ni1 N3 Ni1 4_565 4_565 3.0(4) no
