#------------------------------------------------------------------------------
#$Date: 2016-02-20 02:53:41 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176768 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/51/2105189.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_2105189
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                 105.487(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.1288(2)
_cell_length_b                   12.3503(2)
_cell_length_c                   8.15370(10)
_cell_measurement_reflns_used    2812
_cell_measurement_temperature    253(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.00
_cell_volume                     1177.03(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      253(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  0.0340
_diffrn_reflns_av_sigmaI/netI    0.0483
_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            5341
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    0.892
_exptl_absorpt_correction_T_max  0.9161
_exptl_absorpt_correction_T_min  0.8077
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Scalepack (Otwinowski & Minor, 2006)'
_exptl_crystal_colour            'pale green'
_exptl_crystal_density_diffrn    1.470
_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         0.295
_refine_diff_density_min         -0.299
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     321
_refine_ls_number_reflns         2834
_refine_ls_number_restraints     154
_refine_ls_restrained_S_all      0.990
_refine_ls_R_factor_all          0.0839
_refine_ls_R_factor_gt           0.0434
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0712P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1063
_refine_ls_wR_factor_ref         0.1244
_reflns_number_gt                1755
_reflns_number_total             2834
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            hw5021.cif
_cod_data_source_block           253K_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               2105189
_cod_database_fobs_code          2105189
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 0.0589(6) 0.1544(4) 0.6243(8) 0.0623(15) Uani d PDU 0.642(3) 1 . 1
H H1A 0.0645 0.1616 0.5083 0.075 Uiso calc PR 0.642(3) 1 . 1
H H1B -0.0207 0.1428 0.6214 0.075 Uiso calc PR 0.642(3) 1 . 1
C C2 0.1308(5) 0.0611(6) 0.7111(12) 0.0814(16) Uani d PDU 0.642(3) 1 . 1
H H2A 0.1322 0.0586 0.8306 0.098 Uiso calc PR 0.642(3) 1 . 1
H H2B 0.1002 -0.0069 0.6584 0.098 Uiso calc PR 0.642(3) 1 . 1
C C3 0.3269(5) 0.0053(5) 0.7847(7) 0.0800(14) Uani d PDU 0.642(3) 1 . 1
H H3A 0.3142 -0.0658 0.7328 0.096 Uiso calc PR 0.642(3) 1 . 1
H H3B 0.3216 -0.0007 0.9010 0.096 Uiso calc PR 0.642(3) 1 . 1
C C4 0.4427(9) 0.0454(10) 0.784(2) 0.0756(18) Uani d PDU 0.642(3) 1 . 1
H H4A 0.4993 -0.0109 0.8240 0.091 Uiso calc PR 0.642(3) 1 . 1
H H4B 0.4438 0.0650 0.6690 0.091 Uiso calc PR 0.642(3) 1 . 1
C C5 0.5695(7) 0.2049(8) 0.9230(14) 0.065(2) Uani d PDU 0.3210(17) 1 . 1
H H5A 0.593(3) 0.215(4) 1.047(3) 0.079 Uiso d PD 0.50 1 A 1
H H5B 0.617(4) 0.149(3) 0.889(5) 0.079 Uiso d PD 0.50 1 B 1
C C6 0.5457(11) 0.3050(10) 0.8186(14) 0.062(2) Uani d PDU 0.3210(17) 1 . 1
H H6A 0.613(3) 0.337(4) 0.781(6) 0.074 Uiso d PD 0.50 1 C 1
H H6B 0.479(3) 0.335(4) 0.719(5) 0.074 Uiso d PD 0.50 1 D 1
O O1 0.1014(3) 0.2500 0.7196(4) 0.0542(10) Uani d SPDU 0.642(3) 2 . 1
O O2 0.2425(2) 0.0787(3) 0.6927(4) 0.0705(10) Uani d PDU 0.642(3) 1 . 1
O O3 0.4688(3) 0.1374(3) 0.8923(4) 0.0815(11) Uani d PDU 0.642(3) 1 . 1
C C5' 0.049(3) 0.318(2) 0.664(4) 0.062(2) Uani d PDU 0.1790(17) 1 . 2
C C6' 0.0467(16) 0.199(2) 0.632(2) 0.0623(15) Uani d PDU 0.1790(17) 1 . 2
C C7' 0.1583(13) 0.0456(9) 0.749(2) 0.0814(16) Uani d PDU 0.358(3) 1 . 2
H H7'1 0.092(5) 0.002(7) 0.686(7) 0.098 Uiso d PD 0.358(3) 1 . 2
H H7'2 0.166(6) 0.041(7) 0.871(3) 0.098 Uiso d PD 0.358(3) 1 . 2
C C8' 0.2694(8) 0.0107(9) 0.7185(14) 0.0800(14) Uani d PDU 0.358(3) 1 . 2
H H8'1 0.2820 -0.0656 0.7451 0.096 Uiso calc PR 0.358(3) 1 . 2
H H8'2 0.2671 0.0211 0.5997 0.096 Uiso calc PR 0.358(3) 1 . 2
C C9' 0.4647(16) 0.066(2) 0.776(4) 0.0756(18) Uani d PDU 0.358(3) 1 . 2
H H9'1 0.4500 0.0710 0.6537 0.091 Uiso calc PR 0.358(3) 1 . 2
H H9'2 0.5008 -0.0034 0.8121 0.091 Uiso calc PR 0.358(3) 1 . 2
C C10' 0.5429(10) 0.1552(7) 0.8587(14) 0.065(2) Uani d PDU 0.358(3) 1 . 2
H H10A 0.5448 0.1617 0.9780 0.079 Uiso calc PR 0.358(3) 1 . 2
H H10B 0.6200 0.1422 0.8500 0.079 Uiso calc PR 0.358(3) 1 . 2
O O1' 0.4964(7) 0.2500 0.7677(10) 0.0563(19) Uani d SPDU 0.358(3) 2 . 2
O O4' 0.1261(8) 0.1544(7) 0.7795(14) 0.0652(18) Uani d PDU 0.1790(17) 1 . 2
O O4'' 0.1486(9) 0.1382(8) 0.6402(13) 0.0652(18) Uani d PDU 0.1790(17) 1 . 2
O O5' 0.3592(5) 0.0721(6) 0.8219(6) 0.0648(15) Uani d PDU 0.358(3) 1 . 2
Ni Ni1 0.30454(4) 0.2652(3) 0.26798(6) 0.0419(7) Uani d PU 0.50 1 . .
O O6 0.3019(2) 0.2500 0.5148(3) 0.0567(6) Uani d SDU 1 2 . .
H H6C 0.298(4) 0.195(3) 0.569(8) 0.085 Uiso d PD 0.50 1 . .
H H6D 0.259(4) 0.295(3) 0.539(8) 0.085 Uiso d PD 0.50 1 . .
O O7 0.2966(3) 0.2727(7) 0.0177(4) 0.068(3) Uani d PDU 0.50 1 . .
H H7C 0.244(3) 0.2500 -0.063(4) 0.103 Uiso d SD 1 2 . .
H H7D 0.328(4) 0.322(4) -0.022(6) 0.103 Uiso d PD 0.50 1 . .
N N1' 0.247(2) 0.0414(15) 0.264(4) 0.061(3) Uani d PDU 0.205(11) 1 . 1
O O8' 0.3399(13) 0.0265(14) 0.363(3) 0.084(5) Uani d PDU 0.205(11) 1 . 1
O O9' 0.214(2) 0.1341(11) 0.2034(16) 0.076(5) Uani d PDU 0.205(11) 1 . 1
O O10' 0.210(4) -0.048(2) 0.283(4) 0.096(6) Uani d PDU 0.205(11) 1 . 1
N N1 0.2123(14) 0.0495(15) 0.2402(15) 0.061(3) Uani d PDU 0.295(11) 1 . 2
O O8 0.3079(16) 0.0974(12) 0.266(3) 0.066(4) Uani d PDU 0.295(11) 1 . 2
O O9 0.1259(12) 0.1013(14) 0.236(2) 0.096(5) Uani d PDU 0.295(11) 1 . 2
O O10 0.193(3) -0.0467(16) 0.217(4) 0.096(6) Uani d PDU 0.295(11) 1 . 2
N N2 0.2030(10) 0.4454(11) 0.2557(15) 0.060(2) Uani d PU 0.50 1 . .
O O11 0.3127(10) 0.4353(11) 0.2864(18) 0.060(2) Uani d PU 0.50 1 . .
O O12 0.1509(11) 0.3565(8) 0.2191(10) 0.0657(16) Uani d PU 0.50 1 . .
O O13 0.1546(9) 0.5282(9) 0.249(2) 0.101(3) Uani d PU 0.50 1 . .
C C11 0.6906(3) 0.2500 0.5152(6) 0.0860(14) Uani d SDU 1 2 . .
H H11A 0.744(3) 0.2500 0.444(5) 0.129 Uiso d SD 1 2 . .
H H11B 0.700(3) 0.316(2) 0.583(4) 0.129 Uiso d D 1 1 . .
C C12 0.5723(3) 0.2500 0.4174(5) 0.0600(9) Uani d SU 1 2 . .
N N3 0.4790(3) 0.2500 0.3420(4) 0.0576(7) Uani d SU 1 2 . .
C C13 -0.0684(4) 0.2500 -0.0152(6) 0.0956(15) Uani d SDU 1 2 . .
H H13A -0.096(4) 0.2500 -0.140(2) 0.143 Uiso d SD 1 2 . .
H H13B -0.018(3) 0.186(2) 0.018(4) 0.143 Uiso d D 1 1 . .
C C14 -0.1189(4) 0.2500 0.1237(6) 0.0728(11) Uani d SU 1 2 . .
N N4 -0.1620(4) 0.2500 0.2300(7) 0.1160(16) 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 . . 107.3(6) no
O1 C1 H1A . . 110.3 no
C2 C1 H1A . . 110.3 no
O1 C1 H1B . . 110.3 no
C2 C1 H1B . . 110.3 no
H1A C1 H1B . . 108.5 no
O2 C2 C1 . . 106.4(5) no
O2 C2 H2A . . 110.4 no
C1 C2 H2A . . 110.4 no
O2 C2 H2B . . 110.4 no
C1 C2 H2B . . 110.4 no
H2A C2 H2B . . 108.6 no
O2 C2 H7'1 . . 125(6) no
C1 C2 H7'1 . . 109(6) no
H2A C2 H7'1 . . 94.5 no
H2B C2 H7'1 . . 16.6 no
O2 C2 H7'2 . . 94(3) no
C1 C2 H7'2 . . 128(4) no
H2A C2 H7'2 . . 20.2 no
H2B C2 H7'2 . . 105.6 no
H7'1 C2 H7'2 . . 95(4) no
O2 C3 C4 . . 109.4(9) no
O2 C3 H3A . . 109.8 no
C4 C3 H3A . . 109.8 no
O2 C3 H3B . . 109.8 no
C4 C3 H3B . . 109.8 no
H3A C3 H3B . . 108.2 no
O3 C4 C3 . . 108.3(5) no
O3 C4 H4A . . 110.0 no
C3 C4 H4A . . 110.0 no
O3 C4 H4B . . 110.0 no
C3 C4 H4B . . 110.0 no
H4A C4 H4B . . 108.4 no
C6 C5 C5 4_565 4_565 98.5(13) no
C6 C5 O3 4_565 . 72.0(10) no
C5 C5 O3 4_565 . 125.3(4) no
C6 C5 C6 4_565 . 64.8(15) no
C5 C5 C6 4_565 . 33.7(5) no
O3 C5 C6 . . 110.8(8) no
C6 C5 H5A 4_565 . 176(3) no
C5 C5 H5A 4_565 . 83(3) no
O3 C5 H5A . . 104(3) no
C6 C5 H5A . . 116(3) no
C6 C5 H5B 4_565 . 71(3) no
C5 C5 H5B 4_565 . 135(3) no
O3 C5 H5B . . 94(3) no
C6 C5 H5B . . 118(3) no
H5A C5 H5B . . 111(3) no
C5 C6 C6 4_565 4_565 81.5(13) no
C5 C6 O3 4_565 4_565 74.3(10) no
C6 C6 O3 4_565 4_565 119.9(5) no
C5 C6 C5 4_565 . 47.9(12) no
C6 C6 C5 4_565 . 33.7(5) no
O3 C6 C5 4_565 . 102.8(8) no
C5 C6 H6A 4_565 . 106(3) no
C6 C6 H6A 4_565 . 113(3) no
O3 C6 H6A 4_565 . 127(3) no
C5 C6 H6A . . 116(3) no
C5 C6 H6B 4_565 . 146(3) no
C6 C6 H6B 4_565 . 111(3) no
O3 C6 H6B 4_565 . 72(3) no
C5 C6 H6B . . 137(3) no
H6A C6 H6B . . 99(2) no
C1 O1 C1 4_565 . 111.1(6) no
C2 O2 C3 . . 114.8(4) no
C4 O3 C6 . 4_565 101.4(6) no
C4 O3 C5 . . 127.3(6) no
C6 O3 C5 4_565 . 33.7(5) no
C6' C5' O4' 4_565 4_565 133(10) no
C6' C5' O4'' 4_565 4_565 90(6) no
O4' C5' O4'' 4_565 4_565 57.7(14) no
C6' C5' C6' 4_565 . 41(8) no
O4' C5' C6' 4_565 . 113(3) no
O4'' C5' C6' 4_565 . 109(3) no
C6' C5' C5' 4_565 4_565 51(9) no
O4' C5' C5' 4_565 4_565 106.4(16) no
O4'' C5' C5' 4_565 4_565 112.7(13) no
C6' C5' C5' . 4_565 9.9(15) no
C5' C6' C6' 4_565 4_565 129(9) no
C5' C6' O4'' 4_565 . 76(6) no
C6' C6' O4'' 4_565 . 121.5(12) no
C5' C6' O4' 4_565 . 38(8) no
C6' C6' O4' 4_565 . 112.4(12) no
O4'' C6' O4' . . 51.9(7) no
C5' C6' C5' 4_565 . 119(10) no
C6' C6' C5' 4_565 . 9.9(15) no
O4'' C6' C5' . . 122(3) no
O4' C6' C5' . . 105(2) no
O4'' C7' O4' . . 51.7(7) no
O4'' C7' C8' . . 93.3(10) no
O4' C7' C8' . . 126.5(12) no
O4'' C7' H7'1 . . 101(5) no
O4' C7' H7'1 . . 112(6) no
C8' C7' H7'1 . . 113(5) no
O4'' C7' H7'2 . . 130(5) no
O4' C7' H7'2 . . 80(5) no
C8' C7' H7'2 . . 108(5) no
H7'1 C7' H7'2 . . 110(3) no
O5' C8' C7' . . 109.5(11) no
O5' C8' H8'1 . . 109.8 no
C7' C8' H8'1 . . 109.8 no
O5' C8' H8'2 . . 109.8 no
C7' C8' H8'2 . . 109.8 no
H8'1 C8' H8'2 . . 108.2 no
O5' C9' C10' . . 110.5(10) no
O5' C9' H9'1 . . 109.6 no
C10' C9' H9'1 . . 109.6 no
O5' C9' H9'2 . . 109.6 no
C10' C9' H9'2 . . 109.6 no
H9'1 C9' H9'2 . . 108.1 no
O1' C10' C9' . . 105.0(17) no
O1' C10' H5B . . 117(4) no
C9' C10' H5B . . 123(3) no
O1' C10' H10A . . 110.8 no
C9' C10' H10A . . 110.8 no
H5B C10' H10A . . 88.5 no
O1' C10' H10B . . 110.8 no
C9' C10' H10B . . 110.8 no
H5B C10' H10B . . 20.6 no
H10A C10' H10B . . 108.8 no
C10' O1' C10' . 4_565 111.1(10) no
C10' O1' H6B . . 165(2) no
C10' O1' H6B 4_565 . 55(2) no
C5' O4' O4'' 4_565 . 69.2(16) no
C5' O4' C6' 4_565 . 10(2) no
O4'' O4' C6' . . 63.9(7) no
C5' O4' C7' 4_565 . 108.6(18) no
O4'' O4' C7' . . 63.7(6) no
C6' O4' C7' . . 111.1(12) no
O4' O4'' C5' . 4_565 53.1(13) no
O4' O4'' C6' . . 64.2(7) no
C5' O4'' C6' 4_565 . 13.5(16) no
O4' O4'' C7' . . 64.5(6) no
C5' O4'' C7' 4_565 . 98.7(13) no
C6' O4'' C7' . . 112.0(11) no
C8' O5' C9' . . 114.8(9) no
Ni1 Ni1 O9' 4_565 4_565 139.1(8) no
Ni1 Ni1 O8 4_565 4_565 178.4(7) no
O9' Ni1 O8 4_565 4_565 42.1(9) no
Ni1 Ni1 O9' 4_565 . 33.7(7) no
O9' Ni1 O9' 4_565 . 105.4(15) no
O8 Ni1 O9' 4_565 . 147.4(11) no
Ni1 Ni1 O7 4_565 . 92.6(3) no
O9' Ni1 O7 4_565 . 78.1(6) no
O8 Ni1 O7 4_565 . 86.6(9) no
O9' Ni1 O7 . . 83.9(5) no
Ni1 Ni1 O6 4_565 . 84.69(11) no
O9' Ni1 O6 4_565 . 101.7(6) no
O8 Ni1 O6 4_565 . 96.2(8) no
O9' Ni1 O6 . . 92.0(5) no
O7 Ni1 O6 . . 175.6(2) no
Ni1 Ni1 N3 4_565 . 84.73(11) no
O9' Ni1 N3 4_565 . 135.1(10) no
O8 Ni1 N3 4_565 . 93.9(6) no
O9' Ni1 N3 . . 117.7(8) no
O7 Ni1 N3 . . 93.93(12) no
O6 Ni1 N3 . . 89.31(11) no
Ni1 Ni1 O7 4_565 4_565 76.9(3) no
O9' Ni1 O7 4_565 4_565 90.2(5) no
O8 Ni1 O7 4_565 4_565 102.2(8) no
O9' Ni1 O7 . 4_565 70.8(6) no
O7 Ni1 O7 . 4_565 15.7(5) no
O6 Ni1 O7 . 4_565 161.3(3) no
N3 Ni1 O7 . 4_565 92.40(13) no
Ni1 Ni1 O8 4_565 . 1.3(6) no
O9' Ni1 O8 4_565 . 140.0(11) no
O8 Ni1 O8 4_565 . 177.1(12) no
O9' Ni1 O8 . . 34.6(8) no
O7 Ni1 O8 . . 91.9(6) no
O6 Ni1 O8 . . 85.4(7) no
N3 Ni1 O8 . . 83.6(5) no
O7 Ni1 O8 4_565 . 76.3(8) no
Ni1 Ni1 O11 4_565 . 175.7(4) no
O9' Ni1 O11 4_565 . 44.3(8) no
O8 Ni1 O11 4_565 . 4.4(11) no
O9' Ni1 O11 . . 149.5(9) no
O7 Ni1 O11 . . 90.9(4) no
O6 Ni1 O11 . . 92.0(4) no
N3 Ni1 O11 . . 92.6(3) no
O7 Ni1 O11 4_565 . 106.5(5) no
O8 Ni1 O11 . . 175.5(4) no
Ni1 Ni1 O12 4_565 . 122.1(2) no
O9' Ni1 O12 4_565 . 20.7(10) no
O8 Ni1 O12 4_565 . 59.3(7) no
O9' Ni1 O12 . . 89.4(8) no
O7 Ni1 O12 . . 89.1(3) no
O6 Ni1 O12 . . 89.4(2) no
N3 Ni1 O12 . . 152.9(3) no
O7 Ni1 O12 4_565 . 97.3(3) no
O8 Ni1 O12 . . 123.2(5) no
O11 Ni1 O12 . . 60.4(4) no
Ni1 Ni1 O12 4_565 4_565 50.1(2) no
O9' Ni1 O12 4_565 4_565 90.0(10) no
O8 Ni1 O12 4_565 4_565 131.3(7) no
O9' Ni1 O12 . 4_565 19.4(8) no
O7 Ni1 O12 . 4_565 92.1(3) no
O6 Ni1 O12 . 4_565 83.5(2) no
N3 Ni1 O12 . 4_565 134.7(3) no
O7 Ni1 O12 4_565 4_565 82.1(3) no
O8 Ni1 O12 . 4_565 51.3(6) no
O11 Ni1 O12 . 4_565 132.2(4) no
O12 Ni1 O12 . 4_565 72.0(4) no
Ni1 O6 Ni1 . 4_565 10.6(2) no
Ni1 O6 H6C . . 129(5) no
Ni1 O6 H6C 4_565 . 118(5) no
Ni1 O6 H6D . . 111(5) no
Ni1 O6 H6D 4_565 . 119(5) no
H6C O6 H6D . . 107(3) no
O7 O7 Ni1 4_565 . 87.4(3) no
O7 O7 Ni1 4_565 4_565 76.9(3) no
Ni1 O7 Ni1 . 4_565 10.5(2) no
O7 O7 H7C 4_565 . 70.3(8) no
Ni1 O7 H7C . . 127(3) no
Ni1 O7 H7C 4_565 . 122(3) no
O7 O7 H7D 4_565 . 137(5) no
Ni1 O7 H7D . . 122(4) no
Ni1 O7 H7D 4_565 . 130(3) no
H7C O7 H7D . . 106(3) no
N2 N1' O11 4_565 4_565 142(4) no
N2 N1' O8' 4_565 . 147(6) no
O11 N1' O8' 4_565 . 39.7(11) no
N2 N1' O10' 4_565 . 85(4) no
O11 N1' O10' 4_565 . 131(3) no
O8' N1' O10' . . 95(2) no
N2 N1' O9' 4_565 . 59(2) no
O11 N1' O9' 4_565 . 87.2(18) no
O8' N1' O9' . . 122.2(19) no
O10' N1' O9' . . 142(3) no
N2 N1' O13 4_565 4_565 56(2) no
O11 N1' O13 4_565 4_565 161.4(17) no
O8' N1' O13 . 4_565 123.5(15) no
O10' N1' O13 . 4_565 30(2) no
O9' N1' O13 . 4_565 111.4(15) no
N2 N1' O12 4_565 4_565 32.1(19) no
O11 N1' O12 4_565 4_565 111.0(17) no
O8' N1' O12 . 4_565 136(2) no
O10' N1' O12 . 4_565 117(3) no
O9' N1' O12 . 4_565 28.0(10) no
O13 N1' O12 4_565 4_565 87.2(12) no
O11 O8' N1' 4_565 . 42.2(16) no
O11 O8' N2 4_565 4_565 46.9(12) no
N1' O8' N2 . 4_565 10(2) no
O11 O8' O10' 4_565 . 83.0(17) no
N1' O8' O10' . . 42.7(11) no
N2 O8' O10' 4_565 . 43.3(13) no
O12 O9' N2 4_565 4_565 81.1(15) no
O12 O9' N1' 4_565 . 106(2) no
N2 O9' N1' 4_565 . 25.2(15) no
O12 O9' O11 4_565 4_565 133.3(15) no
N2 O9' O11 4_565 4_565 58.1(10) no
N1' O9' O11 . 4_565 33.8(11) no
O12 O9' Ni1 4_565 4_565 114(2) no
N2 O9' Ni1 4_565 4_565 134.0(13) no
N1' O9' Ni1 . 4_565 116.5(15) no
O11 O9' Ni1 4_565 4_565 84.6(14) no
O12 O9' Ni1 4_565 . 108.8(19) no
N2 O9' Ni1 4_565 . 139.6(12) no
N1' O9' Ni1 . . 123.5(15) no
O11 O9' Ni1 4_565 . 91.8(13) no
Ni1 O9' Ni1 4_565 . 7.27(19) no
O13 O10' N1' 4_565 . 88(3) no
O13 O10' N2 4_565 4_565 64(3) no
N1' O10' N2 . 4_565 24.7(15) no
O13 O10' O8' 4_565 . 128(3) no
N1' O10' O8' . . 42.4(11) no
N2 O10' O8' 4_565 . 64.2(12) no
N2 N1 O11 4_565 4_565 117(7) no
N2 N1 O13 4_565 4_565 77(8) no
O11 N1 O13 4_565 4_565 132.1(19) no
N2 N1 O10 4_565 . 107(9) no
O11 N1 O10 4_565 . 110(2) no
O13 N1 O10 4_565 . 30.2(15) no
N2 N1 O9 4_565 . 40(7) no
O11 N1 O9 4_565 . 136.4(16) no
O13 N1 O9 4_565 . 85.0(15) no
O10 N1 O9 . . 112(3) no
N2 N1 O8 4_565 . 113(8) no
O11 N1 O8 4_565 . 20.0(9) no
O13 N1 O8 4_565 . 152.1(18) no
O10 N1 O8 . . 128(2) no
O9 N1 O8 . . 120.0(18) no
N2 N1 O12 4_565 4_565 56(8) no
O11 N1 O12 4_565 4_565 112.6(14) no
O13 N1 O12 4_565 4_565 112.4(15) no
O10 N1 O12 . 4_565 137(2) no
O9 N1 O12 . 4_565 27.8(7) no
O8 N1 O12 . 4_565 93.9(15) no
O11 O8 N1 4_565 . 70(3) no
O11 O8 N2 4_565 4_565 72(4) no
N1 O8 N2 . 4_565 7.8(9) no
O11 O8 Ni1 4_565 4_565 158(5) no
N1 O8 Ni1 . 4_565 116.4(15) no
N2 O8 Ni1 4_565 4_565 111.4(13) no
O11 O8 Ni1 4_565 . 158(5) no
N1 O8 Ni1 . . 116.6(14) no
N2 O8 Ni1 4_565 . 111.7(12) no
Ni1 O8 Ni1 4_565 . 0.29(12) no
O12 O9 N2 4_565 4_565 91.4(19) no
O12 O9 N1 4_565 . 89(2) no
N2 O9 N1 4_565 . 6.9(11) no
O12 O9 O13 4_565 4_565 135(2) no
N2 O9 O13 4_565 4_565 45.8(10) no
N1 O9 O13 . 4_565 47.0(12) no
O13 O10 N1 4_565 . 74(3) no
O13 O10 N2 4_565 4_565 65(2) no
N1 O10 N2 . 4_565 8.6(11) no
N1 N2 N1' 4_565 4_565 45(7) no
N1 N2 O9 4_565 4_565 133(7) no
N1' N2 O9 4_565 4_565 165(3) no
N1 N2 O9' 4_565 4_565 83(9) no
N1' N2 O9' 4_565 4_565 96(3) no
O9 N2 O9' 4_565 4_565 69.8(14) no
N1 N2 O13 4_565 . 93(8) no
N1' N2 O13 4_565 . 102(3) no
O9 N2 O13 4_565 . 93.2(13) no
O9' N2 O13 4_565 . 151.2(13) no
N1 N2 O12 4_565 . 117(8) no
N1' N2 O12 4_565 . 135(3) no
O9 N2 O12 4_565 . 30.2(8) no
O9' N2 O12 4_565 . 40.1(13) no
O13 N2 O12 . . 122.3(11) no
N1 N2 O10 4_565 4_565 65(8) no
N1' N2 O10 4_565 4_565 76(3) no
O9 N2 O10 4_565 4_565 118(2) no
O9' N2 O10 4_565 4_565 142(2) no
O13 N2 O10 . 4_565 29.2(15) no
O12 N2 O10 . 4_565 141(2) no
N1 N2 O10' 4_565 4_565 77(9) no
N1' N2 O10' 4_565 4_565 70(3) no
O9 N2 O10' 4_565 4_565 125(2) no
O9' N2 O10' 4_565 4_565 161(2) no
O13 N2 O10' . 4_565 32.6(19) no
O12 N2 O10' . 4_565 155(2) no
O10 N2 O10' 4_565 4_565 23(2) no
N1 N2 O11 4_565 . 55(7) no
N1' N2 O11 4_565 . 23(2) no
O9 N2 O11 4_565 . 141.9(15) no
O9' N2 O11 4_565 . 76.0(13) no
O13 N2 O11 . . 124.8(13) no
O12 N2 O11 . . 112.7(11) no
O10 N2 O11 4_565 . 100(2) no
O10' N2 O11 4_565 . 93(2) no
N1 N2 O8 4_565 4_565 59(8) no
N1' N2 O8 4_565 4_565 41(2) no
O9 N2 O8 4_565 4_565 124.3(15) no
O9' N2 O8 4_565 4_565 57.4(13) no
O13 N2 O8 . 4_565 142.2(14) no
O12 N2 O8 . 4_565 94.5(10) no
O10 N2 O8 4_565 4_565 115(2) no
O10' N2 O8 4_565 4_565 111(2) no
O11 N2 O8 . 4_565 18.6(9) no
N1 N2 O8' 4_565 4_565 68(6) no
N1' N2 O8' 4_565 4_565 23(4) no
O9 N2 O8' 4_565 4_565 151.9(13) no
O9' N2 O8' 4_565 4_565 100.2(13) no
O13 N2 O8' . 4_565 104.8(11) no
O12 N2 O8' . 4_565 131.3(10) no
O10 N2 O8' 4_565 4_565 87(2) no
O10' N2 O8' 4_565 4_565 72.5(19) no
O11 N2 O8' . 4_565 26.3(6) no
O8 N2 O8' 4_565 4_565 43.5(10) no
O8 O11 O8' 4_565 4_565 148(5) no
O8 O11 N1' 4_565 4_565 103(4) no
O8' O11 N1' 4_565 4_565 98.2(18) no
O8 O11 N1 4_565 4_565 90(4) no
O8' O11 N1 4_565 4_565 109.7(19) no
N1' O11 N1 4_565 4_565 12.4(15) no
O8 O11 N2 4_565 . 90(4) no
O8' O11 N2 4_565 . 106.9(16) no
N1' O11 N2 4_565 . 15.1(18) no
N1 O11 N2 4_565 . 8.0(9) no
O8 O11 O9' 4_565 4_565 44(4) no
O8' O11 O9' 4_565 4_565 146.4(19) no
N1' O11 O9' 4_565 4_565 59.0(12) no
N1 O11 O9' 4_565 4_565 46.7(10) no
N2 O11 O9' . 4_565 45.9(9) no
O8 O11 Ni1 4_565 . 18(4) no
O8' O11 Ni1 4_565 . 131.3(15) no
N1' O11 Ni1 4_565 . 108.0(15) no
N1 O11 Ni1 4_565 . 96.3(10) no
N2 O11 Ni1 . . 93.2(10) no
O9' O11 Ni1 4_565 . 51.1(8) no
O9 O12 O9' 4_565 4_565 116(2) no
O9 O12 N2 4_565 . 58.3(18) no
O9' O12 N2 4_565 . 58.8(11) no
O9 O12 N1 4_565 4_565 63.4(18) no
O9' O12 N1 4_565 4_565 52.9(14) no
N2 O12 N1 . 4_565 7.5(10) no
O9 O12 N1' 4_565 4_565 71.5(19) no
O9' O12 N1' 4_565 4_565 46.3(13) no
N2 O12 N1' . 4_565 13.2(10) no
N1 O12 N1' 4_565 4_565 10.4(12) no
O9 O12 Ni1 4_565 . 147(2) no
O9' O12 Ni1 4_565 . 45.0(12) no
N2 O12 Ni1 . . 93.3(8) no
N1 O12 Ni1 4_565 . 90.3(10) no
N1' O12 Ni1 4_565 . 80.6(8) no
O9 O12 Ni1 4_565 4_565 153(2) no
O9' O12 Ni1 4_565 4_565 51.8(12) no
N2 O12 Ni1 . 4_565 101.1(8) no
N1 O12 Ni1 4_565 4_565 98.1(11) no
N1' O12 Ni1 4_565 4_565 88.4(8) no
Ni1 O12 Ni1 . 4_565 7.81(17) no
O10 O13 O10' 4_565 4_565 46(3) no
O10 O13 N2 4_565 . 86(3) no
O10' O13 N2 4_565 . 83(2) no
O10 O13 N1 4_565 4_565 76(2) no
O10' O13 N1 4_565 4_565 78(2) no
N2 O13 N1 . 4_565 9.6(11) no
O10 O13 N1' 4_565 4_565 66(3) no
O10' O13 N1' 4_565 4_565 61.4(18) no
N2 O13 N1' . 4_565 22.4(12) no
N1 O13 N1' 4_565 4_565 16.9(10) no
O10 O13 O9 4_565 4_565 120(3) no
O10' O13 O9 4_565 4_565 123(2) no
N2 O13 O9 . 4_565 41.0(8) no
N1 O13 O9 4_565 4_565 48.0(9) no
N1' O13 O9 4_565 4_565 63.4(9) no
C12 C11 H11A . . 113(3) no
C12 C11 H11B . . 105(2) no
H11A C11 H11B . . 109.8(17) no
N3 C12 C11 . . 179.3(4) no
C12 N3 Ni1 . 4_565 164.2(3) no
C12 N3 Ni1 . . 164.2(3) no
Ni1 N3 Ni1 4_565 . 10.5(2) no
C14 C13 H13A . . 136(3) no
C14 C13 H13B . . 98(2) no
H13A C13 H13B . . 107.5(17) no
N4 C14 C13 . . 177.9(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 . 1.431(5) no
C1 C2 . 1.504(7) no
C1 H1A . 0.9700 no
C1 H1B . 0.9700 no
C2 O2 . 1.419(6) no
C2 H2A . 0.9700 no
C2 H2B . 0.9700 no
C2 H7'1 . 0.86(5) no
C2 H7'2 . 1.28(4) no
C3 O2 . 1.421(5) no
C3 C4 . 1.491(7) no
C3 H3A . 0.9700 no
C3 H3B . 0.9700 no
C4 O3 . 1.423(7) no
C4 H4A . 0.9700 no
C4 H4B . 0.9700 no
C5 C6 4_565 0.832(11) no
C5 C5 4_565 1.113(19) no
C5 O3 . 1.445(8) no
C5 C6 . 1.485(9) no
C5 H5A . 0.983(18) no
C5 H5B . 0.982(19) no
C6 C5 4_565 0.832(11) no
C6 C6 4_565 1.36(2) no
C6 O3 4_565 1.428(12) no
C6 H6A . 1.025(19) no
C6 H6B . 1.053(19) no
O1 C1 4_565 1.431(5) no
O3 C6 4_565 1.428(12) no
C5' C6' 4_565 0.33(4) no
C5' O4' 4_565 1.19(3) no
C5' O4'' 4_565 1.39(3) no
C5' C6' . 1.502(10) no
C5' C5' 4_565 1.69(5) no
C6' C5' 4_565 0.33(4) no
C6' C6' 4_565 1.27(5) no
C6' O4'' . 1.429(10) no
C6' O4' . 1.434(10) no
C7' O4'' . 1.431(9) no
C7' O4' . 1.441(10) no
C7' C8' . 1.496(9) no
C7' H7'1 . 0.99(2) no
C7' H7'2 . 0.98(2) no
C8' O5' . 1.408(8) no
C8' H8'1 . 0.9700 no
C8' H8'2 . 0.9700 no
C9' O5' . 1.426(9) no
C9' C10' . 1.493(9) no
C9' H9'1 . 0.9700 no
C9' H9'2 . 0.9700 no
C10' O1' . 1.421(8) no
C10' H5B . 0.87(5) no
C10' H10A . 0.9700 no
C10' H10B . 0.9700 no
O1' C10' 4_565 1.421(8) no
O1' H6B . 1.12(4) no
O4' C5' 4_565 1.19(3) no
O4' O4'' . 1.253(14) no
O4'' C5' 4_565 1.39(3) no
Ni1 Ni1 4_565 0.376(8) no
Ni1 O9' 4_565 1.647(15) no
Ni1 O8 4_565 1.697(15) no
Ni1 O9' . 1.947(14) no
Ni1 O7 . 2.020(3) no
Ni1 O6 . 2.030(2) no
Ni1 N3 . 2.048(3) no
Ni1 O7 4_565 2.071(3) no
Ni1 O8 . 2.073(15) no
Ni1 O11 . 2.106(14) no
Ni1 O12 . 2.123(14) no
Ni1 O12 4_565 2.344(14) no
O6 Ni1 4_565 2.030(2) no
O6 H6C . 0.815(19) no
O6 H6D . 0.823(19) no
O7 O7 4_565 0.560(18) no
O7 Ni1 4_565 2.071(3) no
O7 H7C . 0.831(18) no
O7 H7D . 0.825(19) no
N1' N2 4_565 0.54(3) no
N1' O11 4_565 0.82(2) no
N1' O8' . 1.213(10) no
N1' O10' . 1.221(10) no
N1' O9' . 1.268(10) no
N1' O13 4_565 1.39(2) no
N1' O12 4_565 1.69(2) no
O8' O11 4_565 0.783(16) no
O8' N2 4_565 1.693(19) no
O8' O10' . 1.79(3) no
O9' O12 4_565 0.82(2) no
O9' N2 4_565 1.094(17) no
O9' O11 4_565 1.477(19) no
O9' Ni1 4_565 1.647(15) no
O10' O13 4_565 0.70(4) no
O10' N2 4_565 1.29(3) no
N1 N2 4_565 0.20(2) no
N1 O11 4_565 1.19(2) no
N1 O13 4_565 1.20(3) no
N1 O10 . 1.216(10) no
N1 O9 . 1.221(10) no
N1 O8 . 1.269(10) no
N1 O12 4_565 1.36(2) no
O8 O11 4_565 0.434(19) no
O8 N2 4_565 1.36(3) no
O8 Ni1 4_565 1.697(15) no
O9 O12 4_565 0.636(13) no
O9 N2 4_565 1.07(2) no
O9 O13 4_565 1.64(2) no
O10 O13 4_565 0.63(3) no
O10 N2 4_565 1.29(3) no
N2 N1 4_565 0.20(2) no
N2 N1' 4_565 0.54(3) no
N2 O9 4_565 1.07(2) no
N2 O9' 4_565 1.093(17) no
N2 O13 . 1.173(11) no
N2 O12 . 1.263(13) no
N2 O10 4_565 1.29(3) no
N2 O10' 4_565 1.29(3) no
N2 O11 . 1.292(11) no
N2 O8 4_565 1.36(3) no
N2 O8' 4_565 1.693(19) no
O11 O8 4_565 0.434(19) no
O11 O8' 4_565 0.783(16) no
O11 N1' 4_565 0.82(2) no
O11 N1 4_565 1.19(2) no
O11 O9' 4_565 1.477(19) no
O12 O9 4_565 0.636(13) no
O12 O9' 4_565 0.82(2) no
O12 N1 4_565 1.36(2) no
O12 N1' 4_565 1.69(2) no
O12 Ni1 4_565 2.344(14) no
O13 O10 4_565 0.63(3) no
O13 O10' 4_565 0.70(4) no
O13 N1 4_565 1.20(3) no
O13 N1' 4_565 1.39(2) no
O13 O9 4_565 1.64(2) no
C11 C12 . 1.444(6) no
C11 H11A . 0.979(14) no
C11 H11B . 0.972(13) no
C12 N3 . 1.135(4) no
N3 Ni1 4_565 2.048(3) no
C13 C14 . 1.424(7) no
C13 H13A . 0.985(14) no
C13 H13B . 0.987(13) no
C14 N4 . 1.126(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 . 0.815(19) 1.98(3) 2.767(4) 163(5)
O6 H6D O4'' 4_565 0.823(19) 1.93(3) 2.725(10) 162(6)
O7 H7C O1 1_554 0.831(18) 2.12(2) 2.919(5) 160.3(8)
O7 H7D O3 4_564 0.825(19) 2.07(4) 2.788(6) 145(6)
O7 H7C O4' 1_554 0.831(18) 2.029(19) 2.835(11) 163.3(17)
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 . . -66.3(7) no
O2 C3 C4 O3 . . 72.0(13) no
C6 C5 C6 C5 4_565 4_565 180.004(3) no
O3 C5 C6 C5 . 4_565 122.9(8) no
C5 C5 C6 C6 4_565 4_565 179.996(7) no
O3 C5 C6 C6 . 4_565 -57.1(8) no
C6 C5 C6 O3 4_565 4_565 125.5(8) no
C5 C5 C6 O3 4_565 4_565 -54.5(8) no
O3 C5 C6 O3 . 4_565 68.4(9) no
C2 C1 O1 C1 . 4_565 164.9(3) no
C1 C2 O2 C3 . . 172.7(5) no
C4 C3 O2 C2 . . -168.6(7) no
C3 C4 O3 C6 . 4_565 -152.9(11) no
C3 C4 O3 C5 . . -176.8(8) no
C6 C5 O3 C4 4_565 . 46.0(18) no
C5 C5 O3 C4 4_565 . 133.7(11) no
C6 C5 O3 C4 . . 99.0(13) no
C5 C5 O3 C6 4_565 4_565 87.8(14) no
C6 C5 O3 C6 . 4_565 53.0(14) no
C6' C5' C6' C5' 4_565 4_565 180.00(4) no
O4' C5' C6' C5' 4_565 4_565 51(11) no
O4'' C5' C6' C5' 4_565 4_565 113(9) no
O4' C5' C6' C6' 4_565 4_565 -129(11) no
O4'' C5' C6' C6' 4_565 4_565 -67(9) no
C5' C5' C6' C6' 4_565 4_565 180.00(4) no
C6' C5' C6' O4'' 4_565 . 89(10) no
O4' C5' C6' O4'' 4_565 . -41(3) no
O4'' C5' C6' O4'' 4_565 . 21(3) no
C5' C5' C6' O4'' 4_565 . -91(10) no
C6' C5' C6' O4' 4_565 . 142(9) no
O4' C5' C6' O4' 4_565 . 13(3) no
O4'' C5' C6' O4' 4_565 . 75(2) no
C5' C5' C6' O4' 4_565 . -38(9) no
O4'' C7' C8' O5' . . 80.4(13) no
O4' C7' C8' O5' . . 37(2) no
O5' C9' C10' O1' . . -73(3) no
C9' C10' O1' C10' . 4_565 164.3(8) no
C6' C6' O4' C5' 4_565 4_565 126(12) no
O4'' C6' O4' C5' . 4_565 -121(12) no
C5' C6' O4' C5' . 4_565 119(13) no
C5' C6' O4' O4'' 4_565 . 121(12) no
C6' C6' O4' O4'' 4_565 . -113.2(10) no
C5' C6' O4' O4'' . . -120(2) no
C5' C6' O4' C7' 4_565 . 77(12) no
C6' C6' O4' C7' 4_565 . -157.3(7) no
O4'' C6' O4' C7' . . -44.1(11) no
C5' C6' O4' C7' . . -163.8(18) no
O4'' C7' O4' C5' . 4_565 54.3(18) no
C8' C7' O4' C5' . 4_565 115(2) no
C8' C7' O4' O4'' . . 60.5(15) no
O4'' C7' O4' C6' . . 44.1(12) no
C8' C7' O4' C6' . . 104.6(19) no
C6' O4' O4'' C5' . 4_565 -9(3) no
C7' O4' O4'' C5' . 4_565 124.6(19) no
C5' O4' O4'' C6' 4_565 . 9(3) no
C7' O4' O4'' C6' . . 133.7(15) no
C5' O4' O4'' C7' 4_565 . -124.6(19) no
C6' O4' O4'' C7' . . -133.7(15) no
C5' C6' O4'' O4' 4_565 . -33(9) no
C6' C6' O4'' O4' 4_565 . 95.0(10) no
C5' C6' O4'' O4' . . 83(2) no
C6' C6' O4'' C5' 4_565 4_565 128(10) no
O4' C6' O4'' C5' . 4_565 33(9) no
C5' C6' O4'' C5' . 4_565 116(11) no
C5' C6' O4'' C7' 4_565 . 12(10) no
C6' C6' O4'' C7' 4_565 . 139.8(10) no
O4' C6' O4'' C7' . . 44.8(13) no
C5' C6' O4'' C7' . . 128(2) no
C8' C7' O4'' O4' . . -135.5(13) no
O4' C7' O4'' C5' . 4_565 -41.8(17) no
C8' C7' O4'' C5' . 4_565 -177.3(17) no
O4' C7' O4'' C6' . . -44.6(12) no
C8' C7' O4'' C6' . . 179.8(14) no
C7' C8' O5' C9' . . -165(2) no
C10' C9' O5' C8' . . 164.1(18) no
O9' Ni1 O6 Ni1 4_565 4_565 139.1(9) no
O8 Ni1 O6 Ni1 4_565 4_565 -178.7(6) no
O9' Ni1 O6 Ni1 . 4_565 32.9(8) no
O7 Ni1 O6 Ni1 . 4_565 52(4) no
N3 Ni1 O6 Ni1 . 4_565 -84.77(11) no
O7 Ni1 O6 Ni1 4_565 4_565 10.7(4) no
O8 Ni1 O6 Ni1 . 4_565 -1.1(5) no
O11 Ni1 O6 Ni1 . 4_565 -177.4(3) no
O12 Ni1 O6 Ni1 . 4_565 122.3(2) no
O12 Ni1 O6 Ni1 4_565 4_565 50.4(2) no
Ni1 Ni1 O7 O7 4_565 4_565 0.0010(10) no
O9' Ni1 O7 O7 4_565 4_565 -139.7(9) no
O8 Ni1 O7 O7 4_565 4_565 178.6(6) no
O9' Ni1 O7 O7 . 4_565 -32.6(8) no
O6 Ni1 O7 O7 . 4_565 -52(4) no
N3 Ni1 O7 O7 . 4_565 84.89(12) no
O8 Ni1 O7 O7 . 4_565 1.1(5) no
O11 Ni1 O7 O7 . 4_565 177.6(3) no
O12 Ni1 O7 O7 . 4_565 -122.1(2) no
O12 Ni1 O7 O7 4_565 4_565 -50.2(2) no
O9' Ni1 O7 Ni1 4_565 4_565 -139.7(9) no
O8 Ni1 O7 Ni1 4_565 4_565 178.6(6) no
O9' Ni1 O7 Ni1 . 4_565 -32.6(8) no
O6 Ni1 O7 Ni1 . 4_565 -52(4) no
N3 Ni1 O7 Ni1 . 4_565 84.89(12) no
O7 Ni1 O7 Ni1 4_565 4_565 -0.001(4) no
O8 Ni1 O7 Ni1 . 4_565 1.1(5) no
O11 Ni1 O7 Ni1 . 4_565 177.6(3) no
O12 Ni1 O7 Ni1 . 4_565 -122.1(2) no
O12 Ni1 O7 Ni1 4_565 4_565 -50.2(2) no
N2 N1' O8' O11 4_565 4_565 -113(6) no
O10' N1' O8' O11 . 4_565 158(4) no
O9' N1' O8' O11 . 4_565 -32(2) no
O13 N1' O8' O11 4_565 4_565 169(5) no
O12 N1' O8' O11 4_565 4_565 -63(3) no
O11 N1' O8' N2 4_565 4_565 113(6) no
O10' N1' O8' N2 . 4_565 -88(6) no
O9' N1' O8' N2 . 4_565 82(6) no
O13 N1' O8' N2 4_565 4_565 -77(6) no
O12 N1' O8' N2 4_565 4_565 50(5) no
N2 N1' O8' O10' 4_565 . 88(6) no
O11 N1' O8' O10' 4_565 . -158(4) no
O9' N1' O8' O10' . . 170(5) no
O13 N1' O8' O10' 4_565 . 11(2) no
O12 N1' O8' O10' 4_565 . 138(5) no
N2 N1' O9' O12 4_565 4_565 12(5) no
O11 N1' O9' O12 4_565 4_565 -149(3) no
O8' N1' O9' O12 . 4_565 -130(3) no
O10' N1' O9' O12 . 4_565 34(6) no
O13 N1' O9' O12 4_565 4_565 32(3) no
O11 N1' O9' N2 4_565 4_565 -161(6) no
O8' N1' O9' N2 . 4_565 -141(7) no
O10' N1' O9' N2 . 4_565 23(3) no
O13 N1' O9' N2 4_565 4_565 20(2) no
O12 N1' O9' N2 4_565 4_565 -12(5) no
N2 N1' O9' O11 4_565 4_565 161(6) no
O8' N1' O9' O11 . 4_565 19.6(16) no
O10' N1' O9' O11 . 4_565 -176(7) no
O13 N1' O9' O11 4_565 4_565 -179(5) no
O12 N1' O9' O11 4_565 4_565 149(3) no
N2 N1' O9' Ni1 4_565 4_565 140(4) no
O11 N1' O9' Ni1 4_565 4_565 -21(4) no
O8' N1' O9' Ni1 . 4_565 -1(4) no
O10' N1' O9' Ni1 . 4_565 163(5) no
O13 N1' O9' Ni1 4_565 4_565 160.1(18) no
O12 N1' O9' Ni1 4_565 4_565 128(3) no
N2 N1' O9' Ni1 4_565 . 138(4) no
O11 N1' O9' Ni1 4_565 . -23(4) no
O8' N1' O9' Ni1 . . -4(4) no
O10' N1' O9' Ni1 . . 160(5) no
O13 N1' O9' Ni1 4_565 . 157.8(17) no
O12 N1' O9' Ni1 4_565 . 126(3) no
Ni1 Ni1 O9' O12 4_565 4_565 141.2(17) no
O9' Ni1 O9' O12 4_565 4_565 -38.8(17) no
O8 Ni1 O9' O12 4_565 4_565 -41(2) no
O7 Ni1 O9' O12 . 4_565 -114.6(13) no
O6 Ni1 O9' O12 . 4_565 63.9(13) no
N3 Ni1 O9' O12 . 4_565 154.2(11) no
O7 Ni1 O9' O12 4_565 4_565 -123.5(14) no
O8 Ni1 O9' O12 . 4_565 143(2) no
O11 Ni1 O9' O12 . 4_565 -33.4(19) no
O12 Ni1 O9' O12 . 4_565 -25.5(11) no
Ni1 Ni1 O9' N2 4_565 4_565 43(3) no
O9' Ni1 O9' N2 4_565 4_565 -137(3) no
O8 Ni1 O9' N2 4_565 4_565 -139(3) no
O7 Ni1 O9' N2 . 4_565 147(4) no
O6 Ni1 O9' N2 . 4_565 -35(4) no
N3 Ni1 O9' N2 . 4_565 56(4) no
O7 Ni1 O9' N2 4_565 4_565 138(4) no
O8 Ni1 O9' N2 . 4_565 44(3) no
O11 Ni1 O9' N2 . 4_565 -132(3) no
O12 Ni1 O9' N2 . 4_565 -124(4) no
O12 Ni1 O9' N2 4_565 4_565 -98(4) no
Ni1 Ni1 O9' N1' 4_565 . 17(2) no
O9' Ni1 O9' N1' 4_565 . -163(2) no
O8 Ni1 O9' N1' 4_565 . -166(3) no
O7 Ni1 O9' N1' . . 121(3) no
O6 Ni1 O9' N1' . . -61(3) no
N3 Ni1 O9' N1' . . 29(3) no
O7 Ni1 O9' N1' 4_565 . 112(3) no
O8 Ni1 O9' N1' . . 18(2) no
O11 Ni1 O9' N1' . . -158(2) no
O12 Ni1 O9' N1' . . -150(3) no
O12 Ni1 O9' N1' 4_565 . -125(3) no
Ni1 Ni1 O9' O11 4_565 4_565 3.9(5) no
O9' Ni1 O9' O11 4_565 4_565 -176.1(5) no
O8 Ni1 O9' O11 4_565 4_565 -178.3(10) no
O7 Ni1 O9' O11 . 4_565 108.0(12) no
O6 Ni1 O9' O11 . 4_565 -73.4(11) no
N3 Ni1 O9' O11 . 4_565 16.8(13) no
O7 Ni1 O9' O11 4_565 4_565 99.2(13) no
O8 Ni1 O9' O11 . 4_565 5.6(16) no
O11 Ni1 O9' O11 . 4_565 -170.7(13) no
O12 Ni1 O9' O11 . 4_565 -162.8(11) no
O12 Ni1 O9' O11 4_565 4_565 -137.4(18) no
O9' Ni1 O9' Ni1 4_565 4_565 180.000(5) no
O8 Ni1 O9' Ni1 4_565 4_565 177.8(14) no
O7 Ni1 O9' Ni1 . 4_565 104.2(10) no
O6 Ni1 O9' Ni1 . 4_565 -77.3(9) no
N3 Ni1 O9' Ni1 . 4_565 12.9(11) no
O7 Ni1 O9' Ni1 4_565 4_565 95.3(11) no
O8 Ni1 O9' Ni1 . 4_565 1.7(11) no
O11 Ni1 O9' Ni1 . 4_565 -174.6(8) no
O12 Ni1 O9' Ni1 . 4_565 -166.7(9) no
O12 Ni1 O9' Ni1 4_565 4_565 -141.2(17) no
N2 N1' O10' O13 4_565 4_565 15(5) no
O11 N1' O10' O13 4_565 4_565 180(5) no
O8' N1' O10' O13 . 4_565 162(3) no
O9' N1' O10' O13 . 4_565 -5(6) no
O12 N1' O10' O13 4_565 4_565 13(4) no
O11 N1' O10' N2 4_565 4_565 165(9) no
O8' N1' O10' N2 . 4_565 147(6) no
O9' N1' O10' N2 . 4_565 -20(2) no
O13 N1' O10' N2 4_565 4_565 -15(5) no
O12 N1' O10' N2 4_565 4_565 -2(3) no
N2 N1' O10' O8' 4_565 . -147(6) no
O11 N1' O10' O8' 4_565 . 18(3) no
O9' N1' O10' O8' . . -166(7) no
O13 N1' O10' O8' 4_565 . -162(3) no
O12 N1' O10' O8' 4_565 . -149(4) no
O11 O8' O10' O13 4_565 4_565 -38(4) no
N1' O8' O10' O13 . 4_565 -24(4) no
N2 O8' O10' O13 4_565 4_565 -9(3) no
O11 O8' O10' N1' 4_565 . -15(3) no
N2 O8' O10' N1' 4_565 . 15(3) no
O11 O8' O10' N2 4_565 4_565 -29.2(15) no
N1' O8' O10' N2 . 4_565 -15(3) no
N2 N1 O8 O11 4_565 4_565 105(11) no
O13 N1 O8 O11 4_565 4_565 -2(7) no
O10 N1 O8 O11 . 4_565 -31(5) no
O9 N1 O8 O11 . 4_565 149(5) no
O12 N1 O8 O11 4_565 4_565 159(5) no
O11 N1 O8 N2 4_565 4_565 -105(11) no
O13 N1 O8 N2 4_565 4_565 -107(9) no
O10 N1 O8 N2 . 4_565 -136(8) no
O9 N1 O8 N2 . 4_565 44(8) no
O12 N1 O8 N2 4_565 4_565 54(8) no
N2 N1 O8 Ni1 4_565 4_565 -52(8) no
O11 N1 O8 Ni1 4_565 4_565 -157(6) no
O13 N1 O8 Ni1 4_565 4_565 -159(3) no
O10 N1 O8 Ni1 . 4_565 172.3(17) no
O9 N1 O8 Ni1 . 4_565 -7.7(17) no
O12 N1 O8 Ni1 4_565 4_565 2.4(14) no
N2 N1 O8 Ni1 4_565 . -52(8) no
O11 N1 O8 Ni1 4_565 . -157(6) no
O13 N1 O8 Ni1 4_565 . -159(3) no
O10 N1 O8 Ni1 . . 172.2(16) no
O9 N1 O8 Ni1 . . -7.8(16) no
O12 N1 O8 Ni1 4_565 . 2.2(12) no
Ni1 Ni1 O8 O11 4_565 4_565 -7E1(3) no
O9' Ni1 O8 O11 4_565 4_565 -121(11) no
O8 Ni1 O8 O11 4_565 4_565 11E1(3) no
O9' Ni1 O8 O11 . 4_565 -118(12) no
O7 Ni1 O8 O11 . 4_565 166(12) no
O6 Ni1 O8 O11 . 4_565 -18(12) no
N3 Ni1 O8 O11 . 4_565 72(12) no
O7 Ni1 O8 O11 4_565 4_565 166(12) no
O11 Ni1 O8 O11 . 4_565 37(14) no
O12 Ni1 O8 O11 . 4_565 -104(11) no
O12 Ni1 O8 O11 4_565 4_565 -103(12) no
Ni1 Ni1 O8 N1 4_565 . 3E1(3) no
O9' Ni1 O8 N1 4_565 . -19(2) no
O8 Ni1 O8 N1 4_565 . -15E1(3) no
O9' Ni1 O8 N1 . . -16.5(11) no
O7 Ni1 O8 N1 . . -92.8(13) no
O6 Ni1 O8 N1 . . 83.7(13) no
N3 Ni1 O8 N1 . . 173.5(14) no
O7 Ni1 O8 N1 4_565 . -92.5(13) no
O11 Ni1 O8 N1 . . 139(3) no
O12 Ni1 O8 N1 . . -2.6(17) no
O12 Ni1 O8 N1 4_565 . -1.7(9) no
Ni1 Ni1 O8 N2 4_565 4_565 2E1(3) no
O9' Ni1 O8 N2 4_565 4_565 -26(2) no
O8 Ni1 O8 N2 4_565 4_565 -16E1(3) no
O9' Ni1 O8 N2 . 4_565 -23.1(13) no
O7 Ni1 O8 N2 . 4_565 -99.4(16) no
O6 Ni1 O8 N2 . 4_565 77.1(16) no
N3 Ni1 O8 N2 . 4_565 166.9(16) no
O7 Ni1 O8 N2 4_565 4_565 -99.1(16) no
O11 Ni1 O8 N2 . 4_565 132(3) no
O12 Ni1 O8 N2 . 4_565 -9(2) no
O12 Ni1 O8 N2 4_565 4_565 -8.2(11) no
O9' Ni1 O8 Ni1 4_565 4_565 -5E1(3) no
O8 Ni1 O8 Ni1 4_565 4_565 179.9(7) no
O9' Ni1 O8 Ni1 . 4_565 -5E1(3) no
O7 Ni1 O8 Ni1 . 4_565 -12E1(3) no
O6 Ni1 O8 Ni1 . 4_565 6E1(3) no
N3 Ni1 O8 Ni1 . 4_565 15E1(3) no
O7 Ni1 O8 Ni1 4_565 4_565 -12E1(3) no
O11 Ni1 O8 Ni1 . 4_565 11E1(3) no
O12 Ni1 O8 Ni1 . 4_565 -3E1(3) no
O12 Ni1 O8 Ni1 4_565 4_565 -3E1(3) no
N2 N1 O9 O12 4_565 4_565 113(12) no
O11 N1 O9 O12 4_565 4_565 37(3) no
O13 N1 O9 O12 4_565 4_565 -171(3) no
O10 N1 O9 O12 . 4_565 -158(2) no
O8 N1 O9 O12 . 4_565 22(2) no
O11 N1 O9 N2 4_565 4_565 -76(11) no
O13 N1 O9 N2 4_565 4_565 76(12) no
O10 N1 O9 N2 . 4_565 89(12) no
O8 N1 O9 N2 . 4_565 -91(12) no
O12 N1 O9 N2 4_565 4_565 -113(12) no
N2 N1 O9 O13 4_565 4_565 -76(12) no
O11 N1 O9 O13 4_565 4_565 -152(3) no
O10 N1 O9 O13 . 4_565 13.1(19) no
O8 N1 O9 O13 . 4_565 -166.9(19) no
O12 N1 O9 O13 4_565 4_565 171(3) no
N2 N1 O10 O13 4_565 4_565 15(6) no
O11 N1 O10 O13 4_565 4_565 143(5) no
O9 N1 O10 O13 . 4_565 -27(4) no
O8 N1 O10 O13 . 4_565 153(4) no
O12 N1 O10 O13 4_565 4_565 -42(5) no
O11 N1 O10 N2 4_565 4_565 127(7) no
O13 N1 O10 N2 4_565 4_565 -15(6) no
O9 N1 O10 N2 . 4_565 -42(7) no
O8 N1 O10 N2 . 4_565 138(7) no
O12 N1 O10 N2 4_565 4_565 -57(7) no
N1 N2 O11 O8 4_565 4_565 -96(12) no
N1' N2 O11 O8 4_565 4_565 -151(12) no
O9 N2 O11 O8 4_565 4_565 22(5) no
O9' N2 O11 O8 4_565 4_565 -4(5) no
O13 N2 O11 O8 . 4_565 -162(5) no
O12 N2 O11 O8 . 4_565 12(5) no
O10 N2 O11 O8 4_565 4_565 -146(5) no
O10' N2 O11 O8 4_565 4_565 -168(5) no
O8' N2 O11 O8 4_565 4_565 152(6) no
N1 N2 O11 O8' 4_565 4_565 112(10) no
N1' N2 O11 O8' 4_565 4_565 56(10) no
O9 N2 O11 O8' 4_565 4_565 -130(3) no
O9' N2 O11 O8' 4_565 4_565 -156.7(19) no
O13 N2 O11 O8' . 4_565 45(2) no
O12 N2 O11 O8' . 4_565 -140.3(18) no
O10 N2 O11 O8' 4_565 4_565 62(2) no
O10' N2 O11 O8' 4_565 4_565 39.3(19) no
O8 N2 O11 O8' 4_565 4_565 -152(6) no
N1 N2 O11 N1' 4_565 4_565 55(12) no
O9 N2 O11 N1' 4_565 4_565 174(11) no
O9' N2 O11 N1' 4_565 4_565 147(10) no
O13 N2 O11 N1' . 4_565 -11(9) no
O12 N2 O11 N1' . 4_565 163(10) no
O10 N2 O11 N1' 4_565 4_565 5(9) no
O10' N2 O11 N1' 4_565 4_565 -17(9) no
O8 N2 O11 N1' 4_565 4_565 151(12) no
O8' N2 O11 N1' 4_565 4_565 -56(10) no
N1' N2 O11 N1 4_565 4_565 -55(12) no
O9 N2 O11 N1 4_565 4_565 118(11) no
O9' N2 O11 N1 4_565 4_565 92(10) no
O13 N2 O11 N1 . 4_565 -66(10) no
O12 N2 O11 N1 . 4_565 108(10) no
O10 N2 O11 N1 4_565 4_565 -50(9) no
O10' N2 O11 N1 4_565 4_565 -73(10) no
O8 N2 O11 N1 4_565 4_565 96(12) no
O8' N2 O11 N1 4_565 4_565 -112(10) no
N1 N2 O11 O9' 4_565 4_565 -92(10) no
N1' N2 O11 O9' 4_565 4_565 -147(10) no
O9 N2 O11 O9' 4_565 4_565 27(2) no
O13 N2 O11 O9' . 4_565 -158(2) no
O12 N2 O11 O9' . 4_565 16.3(11) no
O10 N2 O11 O9' 4_565 4_565 -142(2) no
O10' N2 O11 O9' 4_565 4_565 -164.0(17) no
O8 N2 O11 O9' 4_565 4_565 4(5) no
O8' N2 O11 O9' 4_565 4_565 156.7(19) no
N1 N2 O11 Ni1 4_565 . -113(10) no
N1' N2 O11 Ni1 4_565 . -169(10) no
O9 N2 O11 Ni1 4_565 . 5(3) no
O9' N2 O11 Ni1 4_565 . -21.6(11) no
O13 N2 O11 Ni1 . . -179.5(13) no
O12 N2 O11 Ni1 . . -5.2(10) no
O10 N2 O11 Ni1 4_565 . -163.3(16) no
O10' N2 O11 Ni1 4_565 . 174.4(15) no
O8 N2 O11 Ni1 4_565 . -17(4) no
O8' N2 O11 Ni1 4_565 . 135.1(19) no
Ni1 Ni1 O11 O8 4_565 4_565 159(8) no
O9' Ni1 O11 O8 4_565 4_565 -58(12) no
O9' Ni1 O11 O8 . 4_565 -66(12) no
O7 Ni1 O11 O8 . 4_565 14(12) no
O6 Ni1 O11 O8 . 4_565 -163(12) no
N3 Ni1 O11 O8 . 4_565 108(12) no
O7 Ni1 O11 O8 4_565 4_565 14(12) no
O8 Ni1 O11 O8 . 4_565 142(15) no
O12 Ni1 O11 O8 . 4_565 -75(12) no
O12 Ni1 O11 O8 4_565 4_565 -80(12) no
Ni1 Ni1 O11 O8' 4_565 4_565 -7(6) no
O9' Ni1 O11 O8' 4_565 4_565 136(2) no
O8 Ni1 O11 O8' 4_565 4_565 -166(13) no
O9' Ni1 O11 O8' . 4_565 128.3(19) no
O7 Ni1 O11 O8' . 4_565 -152(2) no
O6 Ni1 O11 O8' . 4_565 31(2) no
N3 Ni1 O11 O8' . 4_565 -58(2) no
O7 Ni1 O11 O8' 4_565 4_565 -152(2) no
O8 Ni1 O11 O8' . 4_565 -24(5) no
O12 Ni1 O11 O8' . 4_565 119(2) no
O12 Ni1 O11 O8' 4_565 4_565 114(2) no
Ni1 Ni1 O11 N1' 4_565 4_565 -126(4) no
O9' Ni1 O11 N1' 4_565 4_565 17(3) no
O8 Ni1 O11 N1' 4_565 4_565 75(11) no
O9' Ni1 O11 N1' . 4_565 9(3) no
O7 Ni1 O11 N1' . 4_565 89(3) no
O6 Ni1 O11 N1' . 4_565 -88(3) no
N3 Ni1 O11 N1' . 4_565 -177(3) no
O7 Ni1 O11 N1' 4_565 4_565 89(3) no
O8 Ni1 O11 N1' . 4_565 -143(6) no
O12 Ni1 O11 N1' . 4_565 0(3) no
O12 Ni1 O11 N1' 4_565 4_565 -5(3) no
Ni1 Ni1 O11 N1 4_565 4_565 -131(4) no
O9' Ni1 O11 N1 4_565 4_565 12.5(12) no
O8 Ni1 O11 N1 4_565 4_565 71(11) no
O9' Ni1 O11 N1 . 4_565 5.0(18) no
O7 Ni1 O11 N1 . 4_565 84.4(11) no
O6 Ni1 O11 N1 . 4_565 -92.3(11) no
N3 Ni1 O11 N1 . 4_565 178.3(11) no
O7 Ni1 O11 N1 4_565 4_565 85.1(11) no
O8 Ni1 O11 N1 . 4_565 -147(5) no
O12 Ni1 O11 N1 . 4_565 -4.1(9) no
O12 Ni1 O11 N1 4_565 4_565 -9.2(14) no
Ni1 Ni1 O11 N2 4_565 . -123(4) no
O9' Ni1 O11 N2 4_565 . 19.8(12) no
O8 Ni1 O11 N2 4_565 . 78(12) no
O9' Ni1 O11 N2 . . 12.4(15) no
O7 Ni1 O11 N2 . . 91.7(8) no
O6 Ni1 O11 N2 . . -84.9(8) no
N3 Ni1 O11 N2 . . -174.3(8) no
O7 Ni1 O11 N2 4_565 . 92.4(8) no
O8 Ni1 O11 N2 . . -140(4) no
O12 Ni1 O11 N2 . . 3.3(7) no
O12 Ni1 O11 N2 4_565 . -1.9(10) no
Ni1 Ni1 O11 O9' 4_565 4_565 -143(4) no
O8 Ni1 O11 O9' 4_565 4_565 58(12) no
O9' Ni1 O11 O9' . 4_565 -7.4(11) no
O7 Ni1 O11 O9' . 4_565 71.9(12) no
O6 Ni1 O11 O9' . 4_565 -104.7(12) no
N3 Ni1 O11 O9' . 4_565 165.9(12) no
O7 Ni1 O11 O9' 4_565 4_565 72.6(12) no
O8 Ni1 O11 O9' . 4_565 -160(4) no
O12 Ni1 O11 O9' . 4_565 -16.5(11) no
O12 Ni1 O11 O9' 4_565 4_565 -21.7(14) no
N1 N2 O12 O9 4_565 4_565 -131(9) no
N1' N2 O12 O9 4_565 4_565 177(7) no
O9' N2 O12 O9 4_565 4_565 -167(3) no
O13 N2 O12 O9 . 4_565 -18(3) no
O10 N2 O12 O9 4_565 4_565 -49(4) no
O10' N2 O12 O9 4_565 4_565 -12(5) no
O11 N2 O12 O9 . 4_565 167(2) no
O8 N2 O12 O9 4_565 4_565 171(3) no
O8' N2 O12 O9 4_565 4_565 145(3) no
N1 N2 O12 O9' 4_565 4_565 36(8) no
N1' N2 O12 O9' 4_565 4_565 -16(6) no
O9 N2 O12 O9' 4_565 4_565 167(3) no
O13 N2 O12 O9' . 4_565 149.3(19) no
O10 N2 O12 O9' 4_565 4_565 119(3) no
O10' N2 O12 O9' 4_565 4_565 156(4) no
O11 N2 O12 O9' . 4_565 -25.1(15) no
O8 N2 O12 O9' 4_565 4_565 -21.3(16) no
O8' N2 O12 O9' 4_565 4_565 -47.2(19) no
N1' N2 O12 N1 4_565 4_565 -52(11) no
O9 N2 O12 N1 4_565 4_565 131(9) no
O9' N2 O12 N1 4_565 4_565 -36(8) no
O13 N2 O12 N1 . 4_565 113(8) no
O10 N2 O12 N1 4_565 4_565 82(8) no
O10' N2 O12 N1 4_565 4_565 119(9) no
O11 N2 O12 N1 . 4_565 -61(8) no
O8 N2 O12 N1 4_565 4_565 -58(8) no
O8' N2 O12 N1 4_565 4_565 -84(9) no
N1 N2 O12 N1' 4_565 4_565 52(11) no
O9 N2 O12 N1' 4_565 4_565 -177(7) no
O9' N2 O12 N1' 4_565 4_565 16(6) no
O13 N2 O12 N1' . 4_565 165(8) no
O10 N2 O12 N1' 4_565 4_565 135(8) no
O10' N2 O12 N1' 4_565 4_565 172(9) no
O11 N2 O12 N1' . 4_565 -9(6) no
O8 N2 O12 N1' 4_565 4_565 -5(6) no
O8' N2 O12 N1' 4_565 4_565 -31(6) no
N1 N2 O12 Ni1 4_565 . 67(8) no
N1' N2 O12 Ni1 4_565 . 14(7) no
O9 N2 O12 Ni1 4_565 . -162(2) no
O9' N2 O12 Ni1 4_565 . 30.3(12) no
O13 N2 O12 Ni1 . . 179.6(13) no
O10 N2 O12 Ni1 4_565 . 149(3) no
O10' N2 O12 Ni1 4_565 . -174(4) no
O11 N2 O12 Ni1 . . 5.2(10) no
O8 N2 O12 Ni1 4_565 . 9.0(13) no
O8' N2 O12 Ni1 4_565 . -16.9(15) no
N1 N2 O12 Ni1 4_565 4_565 68(8) no
N1' N2 O12 Ni1 4_565 4_565 15(7) no
O9 N2 O12 Ni1 4_565 4_565 -161(2) no
O9' N2 O12 Ni1 4_565 4_565 31.3(12) no
O13 N2 O12 Ni1 . 4_565 -179.4(12) no
O10 N2 O12 Ni1 4_565 4_565 150(3) no
O10' N2 O12 Ni1 4_565 4_565 -173(4) no
O11 N2 O12 Ni1 . 4_565 6.2(11) no
O8 N2 O12 Ni1 4_565 4_565 10.1(14) no
O8' N2 O12 Ni1 4_565 4_565 -15.9(16) no
Ni1 Ni1 O12 O9 4_565 4_565 144(4) no
O9' Ni1 O12 O9 4_565 4_565 -66(4) no
O8 Ni1 O12 O9 4_565 4_565 -37(4) no
O9' Ni1 O12 O9 . 4_565 153(4) no
O7 Ni1 O12 O9 . 4_565 -123(4) no
O6 Ni1 O12 O9 . 4_565 61(4) no
N3 Ni1 O12 O9 . 4_565 -27(4) no
O7 Ni1 O12 O9 4_565 4_565 -137(4) no
O8 Ni1 O12 O9 . 4_565 145(4) no
O11 Ni1 O12 O9 . 4_565 -32(4) no
O12 Ni1 O12 O9 4_565 4_565 144(4) no
Ni1 Ni1 O12 O9' 4_565 4_565 -149.8(13) no
O8 Ni1 O12 O9' 4_565 4_565 29.3(16) no
O9' Ni1 O12 O9' . 4_565 -141.1(17) no
O7 Ni1 O12 O9' . 4_565 -57.3(14) no
O6 Ni1 O12 O9' . 4_565 126.9(14) no
N3 Ni1 O12 O9' . 4_565 39.5(17) no
O7 Ni1 O12 O9' 4_565 4_565 -70.6(14) no
O8 Ni1 O12 O9' . 4_565 -149.0(16) no
O11 Ni1 O12 O9' . 4_565 34.2(14) no
O12 Ni1 O12 O9' 4_565 4_565 -149.8(13) no
Ni1 Ni1 O12 N2 4_565 . 172.6(6) no
O9' Ni1 O12 N2 4_565 . -37.6(14) no
O8 Ni1 O12 N2 4_565 . -8.4(12) no
O9' Ni1 O12 N2 . . -178.8(8) no
O7 Ni1 O12 N2 . . -94.9(7) no
O6 Ni1 O12 N2 . . 89.2(7) no
N3 Ni1 O12 N2 . . 1.9(10) no
O7 Ni1 O12 N2 4_565 . -108.3(7) no
O8 Ni1 O12 N2 . . 173.4(9) no
O11 Ni1 O12 N2 . . -3.4(7) no
O12 Ni1 O12 N2 4_565 . 172.6(6) no
Ni1 Ni1 O12 N1 4_565 4_565 179.5(6) no
O9' Ni1 O12 N1 4_565 4_565 -30.7(13) no
O8 Ni1 O12 N1 4_565 4_565 -1.5(8) no
O9' Ni1 O12 N1 . 4_565 -171.9(8) no
O7 Ni1 O12 N1 . 4_565 -88.0(7) no
O6 Ni1 O12 N1 . 4_565 96.1(7) no
N3 Ni1 O12 N1 . 4_565 8.8(10) no
O7 Ni1 O12 N1 4_565 4_565 -101.4(7) no
O8 Ni1 O12 N1 . 4_565 -179.7(11) no
O11 Ni1 O12 N1 . 4_565 3.5(8) no
O12 Ni1 O12 N1 4_565 4_565 179.5(6) no
Ni1 Ni1 O12 N1' 4_565 4_565 175.9(11) no
O9' Ni1 O12 N1' 4_565 4_565 -34.3(17) no
O8 Ni1 O12 N1' 4_565 4_565 -5.1(15) no
O9' Ni1 O12 N1' . 4_565 -175.5(12) no
O7 Ni1 O12 N1' . 4_565 -91.6(12) no
O6 Ni1 O12 N1' . 4_565 92.5(12) no
N3 Ni1 O12 N1' . 4_565 5.2(13) no
O7 Ni1 O12 N1' 4_565 4_565 -105.0(12) no
O8 Ni1 O12 N1' . 4_565 176.7(14) no
O11 Ni1 O12 N1' . 4_565 -0.1(12) no
O12 Ni1 O12 N1' 4_565 4_565 175.9(11) no
O9' Ni1 O12 Ni1 4_565 4_565 149.8(13) no
O8 Ni1 O12 Ni1 4_565 4_565 179.0(9) no
O9' Ni1 O12 Ni1 . 4_565 8.6(5) no
O7 Ni1 O12 Ni1 . 4_565 92.5(3) no
O6 Ni1 O12 Ni1 . 4_565 -83.35(17) no
N3 Ni1 O12 Ni1 . 4_565 -170.7(6) no
O7 Ni1 O12 Ni1 4_565 4_565 79.1(3) no
O8 Ni1 O12 Ni1 . 4_565 0.8(8) no
O11 Ni1 O12 Ni1 . 4_565 -176.0(4) no
O12 Ni1 O12 Ni1 4_565 4_565 0.0 no
N1 N2 O13 O10 4_565 4_565 -15(6) no
N1' N2 O13 O10 4_565 4_565 30(6) no
O9 N2 O13 O10 4_565 4_565 -148(5) no
O9' N2 O13 O10 4_565 4_565 -96(6) no
O12 N2 O13 O10 . 4_565 -139(4) no
O10' N2 O13 O10 4_565 4_565 46(3) no
O11 N2 O13 O10 . 4_565 34(5) no
O8 N2 O13 O10 4_565 4_565 25(6) no
O8' N2 O13 O10 4_565 4_565 53(4) no
N1 N2 O13 O10' 4_565 4_565 -60(7) no
N1' N2 O13 O10' 4_565 4_565 -16(5) no
O9 N2 O13 O10' 4_565 4_565 166(3) no
O9' N2 O13 O10' 4_565 4_565 -142(4) no
O12 N2 O13 O10' . 4_565 175(3) no
O10 N2 O13 O10' 4_565 4_565 -46(3) no
O11 N2 O13 O10' . 4_565 -11(3) no
O8 N2 O13 O10' 4_565 4_565 -21(4) no
O8' N2 O13 O10' 4_565 4_565 8(3) no
N1' N2 O13 N1 4_565 4_565 45(7) no
O9 N2 O13 N1 4_565 4_565 -134(7) no
O9' N2 O13 N1 4_565 4_565 -82(7) no
O12 N2 O13 N1 . 4_565 -125(7) no
O10 N2 O13 N1 4_565 4_565 15(6) no
O10' N2 O13 N1 4_565 4_565 60(7) no
O11 N2 O13 N1 . 4_565 49(7) no
O8 N2 O13 N1 4_565 4_565 40(6) no
O8' N2 O13 N1 4_565 4_565 68(7) no
N1 N2 O13 N1' 4_565 4_565 -45(7) no
O9 N2 O13 N1' 4_565 4_565 -178(5) no
O9' N2 O13 N1' 4_565 4_565 -126(7) no
O12 N2 O13 N1' . 4_565 -169(6) no
O10 N2 O13 N1' 4_565 4_565 -30(6) no
O10' N2 O13 N1' 4_565 4_565 16(5) no
O11 N2 O13 N1' . 4_565 4(4) no
O8 N2 O13 N1' 4_565 4_565 -5(4) no
O8' N2 O13 N1' 4_565 4_565 23(4) no
N1 N2 O13 O9 4_565 4_565 134(7) no
N1' N2 O13 O9 4_565 4_565 178(5) no
O9' N2 O13 O9 4_565 4_565 52(4) no
O12 N2 O13 O9 . 4_565 9.0(13) no
O10 N2 O13 O9 4_565 4_565 148(5) no
O10' N2 O13 O9 4_565 4_565 -166(3) no
O11 N2 O13 O9 . 4_565 -177(2) no
O8 N2 O13 O9 4_565 4_565 174(3) no
O8' N2 O13 O9 4_565 4_565 -158.2(17) no
C11 C12 N3 Ni1 . 4_565 -19.7(5) no
C11 C12 N3 Ni1 . . 19.7(5) no
Ni1 Ni1 N3 C12 4_565 . -109.0(5) no
O9' Ni1 N3 C12 4_565 . 81.6(9) no
O8 Ni1 N3 C12 4_565 . 71.9(9) no
O9' Ni1 N3 C12 . . -116.2(7) no
O7 Ni1 N3 C12 . . 158.7(5) no
O6 Ni1 N3 C12 . . -24.3(6) no
O7 Ni1 N3 C12 4_565 . 174.3(5) no
O8 Ni1 N3 C12 . . -109.8(8) no
O11 Ni1 N3 C12 . . 67.6(6) no
O12 Ni1 N3 C12 . . 63.0(8) no
O12 Ni1 N3 C12 4_565 . -104.5(6) no
O9' Ni1 N3 Ni1 4_565 4_565 -169.3(8) no
O8 Ni1 N3 Ni1 4_565 4_565 -179.1(8) no
O9' Ni1 N3 Ni1 . 4_565 -7.2(5) no
O7 Ni1 N3 Ni1 . 4_565 -92.3(3) no
O6 Ni1 N3 Ni1 . 4_565 84.73(11) no
O7 Ni1 N3 Ni1 4_565 4_565 -76.6(3) no
O8 Ni1 N3 Ni1 . 4_565 -0.8(7) no
O11 Ni1 N3 Ni1 . 4_565 176.7(4) no
O12 Ni1 N3 Ni1 . 4_565 172.1(5) no
O12 Ni1 N3 Ni1 4_565 4_565 4.6(3) no
