#------------------------------------------------------------------------------
#$Date: 2016-02-20 02:53:41 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176768 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/51/2105199.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_2105199
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.
_cell_angle_beta                 105.5060(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   12.1311(2)
_cell_length_b                   12.3391(2)
_cell_length_c                   8.14320(10)
_cell_measurement_reflns_used    2826
_cell_measurement_temperature    243.0(10)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.00
_cell_volume                     1174.56(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      243.0(10)
_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  0.0329
_diffrn_reflns_av_sigmaI/netI    0.0466
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_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
_diffrn_standards_decay_%        <2
_exptl_absorpt_coefficient_mu    0.894
_exptl_absorpt_correction_T_max  0.9159
_exptl_absorpt_correction_T_min  0.8074
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Scalepack (Otwinowski & Minor, 2006)'
_exptl_crystal_colour            'pale green'
_exptl_crystal_density_diffrn    1.474
_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         0.429
_refine_diff_density_min         -0.247
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     321
_refine_ls_number_reflns         2827
_refine_ls_number_restraints     151
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0815
_refine_ls_R_factor_gt           0.0405
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0613P)²+0.0300P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0989
_refine_ls_wR_factor_ref         0.1145
_reflns_number_gt                1738
_reflns_number_total             2827
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            hw5021.cif
_cod_data_source_block           243K_I_2
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               2105199
_cod_database_fobs_code          2105199
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 0.0602(4) 0.1543(4) 0.6311(9) 0.0603(14) Uani d PDU 0.667(3) 1 . 1
H H1A 0.0625 0.1607 0.5121 0.072 Uiso calc PR 0.667(3) 1 . 1
H H1B -0.0194 0.1424 0.6325 0.072 Uiso calc PR 0.667(3) 1 . 1
C C2 0.1316(5) 0.0613(6) 0.7127(11) 0.0783(15) Uani d PDU 0.667(3) 1 . 1
H H2A 0.1343 0.0575 0.8339 0.094 Uiso calc PR 0.667(3) 1 . 1
H H2B 0.0996 -0.0067 0.6581 0.094 Uiso calc PR 0.667(3) 1 . 1
C C3 0.3280(4) 0.0058(5) 0.7858(7) 0.0780(13) Uani d PDU 0.667(3) 1 . 1
H H3A 0.3157 -0.0664 0.7340 0.094 Uiso calc PR 0.667(3) 1 . 1
H H3B 0.3223 0.0000 0.9033 0.094 Uiso calc PR 0.667(3) 1 . 1
C C4 0.4436(7) 0.0450(7) 0.7866(15) 0.0712(18) Uani d PDU 0.667(3) 1 . 1
H H4A 0.5004 -0.0119 0.8292 0.085 Uiso calc PR 0.667(3) 1 . 1
H H4B 0.4457 0.0640 0.6706 0.085 Uiso calc PR 0.667(3) 1 . 1
C C5 0.5696(6) 0.2058(7) 0.9261(12) 0.062(2) Uani d PDU 0.3333(16) 1 . 1
H H5A 0.594(3) 0.218(3) 1.052(3) 0.074 Uiso d PD 0.50 1 A 1
H H5B 0.622(4) 0.152(3) 0.897(5) 0.074 Uiso d PD 0.50 1 B 1
C C6 0.5473(11) 0.3057(9) 0.8202(13) 0.062(2) Uani d PDU 0.3333(16) 1 . 1
H H6A 0.615(2) 0.343(4) 0.793(6) 0.074 Uiso d PD 0.50 1 C 1
H H6B 0.482(3) 0.331(4) 0.713(5) 0.074 Uiso d PD 0.50 1 D 1
O O1 0.1016(3) 0.2500 0.7195(4) 0.0521(10) Uani d SPDU 0.667(3) 2 . 1
O O2 0.2426(2) 0.0778(3) 0.6930(3) 0.0672(9) Uani d PDU 0.667(3) 1 . 1
O O3 0.4690(3) 0.1373(2) 0.8934(4) 0.0759(10) Uani d PDU 0.667(3) 1 . 1
C C5' 0.035(2) 0.3226(15) 0.612(4) 0.062(2) Uani d PDU 0.1667(16) 1 . 2
C C6' 0.0509(14) 0.2029(15) 0.644(2) 0.0603(14) Uani d PDU 0.1667(16) 1 . 2
C C7' 0.1582(13) 0.0442(9) 0.748(2) 0.0783(15) Uani d PDU 0.333(3) 1 . 2
H H7'1 0.090(5) 0.001(7) 0.687(8) 0.094 Uiso d PD 0.333(3) 1 . 2
H H7'2 0.171(6) 0.034(7) 0.871(4) 0.094 Uiso d PD 0.333(3) 1 . 2
C C8' 0.2705(8) 0.0095(10) 0.7207(15) 0.0780(13) Uani d PDU 0.333(3) 1 . 2
H H8'1 0.2840 -0.0672 0.7510 0.094 Uiso calc PR 0.333(3) 1 . 2
H H8'2 0.2685 0.0179 0.6003 0.094 Uiso calc PR 0.333(3) 1 . 2
C C9' 0.4634(14) 0.0670(18) 0.771(3) 0.0712(18) Uani d PDU 0.333(3) 1 . 2
H H9'1 0.4470 0.0756 0.6476 0.085 Uiso calc PR 0.333(3) 1 . 2
H H9'2 0.4997 -0.0038 0.8023 0.085 Uiso calc PR 0.333(3) 1 . 2
C C10' 0.5417(10) 0.1547(7) 0.8587(14) 0.062(2) Uani d PDU 0.333(3) 1 . 2
H H10A 0.5418 0.1602 0.9787 0.074 Uiso calc PR 0.333(3) 1 . 2
H H10B 0.6200 0.1415 0.8520 0.074 Uiso calc PR 0.333(3) 1 . 2
O O1' 0.4961(8) 0.2500 0.7680(11) 0.056(2) Uani d SPDU 0.333(3) 2 . 2
O O4' 0.1284(8) 0.1530(8) 0.7837(13) 0.0606(18) Uani d PDU 0.1667(16) 1 . 2
O O4'' 0.1495(9) 0.1393(8) 0.6437(13) 0.0606(18) Uani d PDU 0.1667(16) 1 . 2
O O5' 0.3598(5) 0.0728(6) 0.8223(6) 0.0598(16) Uani d PDU 0.333(3) 1 . 2
Ni Ni1 0.30415(4) 0.2659(3) 0.26834(5) 0.0392(7) Uani d PU 0.50 1 . .
O O6 0.3024(2) 0.2500 0.5155(3) 0.0535(6) Uani d SDU 1 2 . .
H H6C 0.292(4) 0.193(3) 0.561(9) 0.080 Uiso d PD 0.50 1 . .
H H6D 0.258(4) 0.295(3) 0.538(9) 0.080 Uiso d PD 0.50 1 . .
O O7 0.2960(3) 0.2736(6) 0.0182(3) 0.064(3) Uani d PDU 0.50 1 . .
H H7C 0.246(3) 0.2500 -0.063(4) 0.096 Uiso d SD 1 2 . .
H H7D 0.335(4) 0.315(4) -0.022(6) 0.096 Uiso d PD 0.50 1 . .
N N1' 0.247(2) 0.0424(14) 0.265(3) 0.058(3) Uani d PDU 0.220(12) 1 . 1
O O8' 0.3396(12) 0.0273(14) 0.364(3) 0.085(4) Uani d PDU 0.220(12) 1 . 1
O O9' 0.211(2) 0.1348(11) 0.2056(15) 0.073(5) Uani d PDU 0.220(12) 1 . 1
O O10' 0.188(4) -0.038(3) 0.266(5) 0.104(5) Uani d PDU 0.220(12) 1 . 1
N N1 0.2101(14) 0.0456(14) 0.2461(16) 0.058(3) Uani d PDU 0.280(12) 1 . 2
O O8 0.3033(16) 0.0979(12) 0.265(3) 0.064(4) Uani d PDU 0.280(12) 1 . 2
O O9 0.1242(12) 0.1002(15) 0.237(2) 0.093(5) Uani d PDU 0.280(12) 1 . 2
O O10 0.210(3) -0.0530(13) 0.239(4) 0.104(5) Uani d PDU 0.280(12) 1 . 2
N N2 0.2031(9) 0.4431(10) 0.2536(15) 0.056(2) Uani d PU 0.50 1 . .
O O11 0.3145(9) 0.4351(11) 0.2866(16) 0.0546(19) Uani d PU 0.50 1 . .
O O12 0.1485(11) 0.3573(8) 0.2200(9) 0.0608(15) Uani d PU 0.50 1 . .
O O13 0.1538(8) 0.5301(11) 0.244(2) 0.100(3) Uani d PU 0.50 1 . .
C C11 0.6912(3) 0.2500 0.5158(6) 0.0844(13) Uani d SDU 1 2 . .
H H11A 0.741(4) 0.2500 0.440(5) 0.127 Uiso d SD 1 2 . .
H H11B 0.698(3) 0.3166(18) 0.579(4) 0.127 Uiso d D 1 1 . .
C C12 0.5716(3) 0.2500 0.4168(4) 0.0564(9) Uani d SU 1 2 . .
N N3 0.4784(2) 0.2500 0.3420(3) 0.0544(7) Uani d SU 1 2 . .
C C13 -0.0679(4) 0.2500 -0.0151(6) 0.0886(14) Uani d SDU 1 2 . .
H H13A -0.105(4) 0.2500 -0.139(2) 0.133 Uiso d SD 1 2 . .
H H13B -0.020(3) 0.185(2) 0.011(4) 0.133 Uiso d D 1 1 . .
C C14 -0.1186(3) 0.2500 0.1245(6) 0.0680(10) Uani d SU 1 2 . .
N N4 -0.1612(4) 0.2500 0.2300(6) 0.1108(15) 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 . . 109.6(5) 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 . . 107.3(5) no
O2 C2 H2A . . 110.2 no
C1 C2 H2A . . 110.2 no
O2 C2 H2B . . 110.2 no
C1 C2 H2B . . 110.2 no
H2A C2 H2B . . 108.5 no
O2 C2 H7'1 . . 126(6) no
C1 C2 H7'1 . . 108(5) no
H2A C2 H7'1 . . 93.6 no
O2 C2 H7'2 . . 93(3) no
C1 C2 H7'2 . . 131(4) no
H2B C2 H7'2 . . 103.2 no
H7'1 C2 H7'2 . . 93(4) no
O2 C3 C4 . . 110.7(6) no
O2 C3 H3A . . 109.5 no
C4 C3 H3A . . 109.5 no
O2 C3 H3B . . 109.5 no
C4 C3 H3B . . 109.5 no
H3A C3 H3B . . 108.1 no
O3 C4 C3 . . 108.4(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 99.7(12) no
C6 C5 O3 4_565 . 71.9(9) no
C5 C5 O3 4_565 . 125.7(4) no
C6 C5 C6 4_565 . 65.7(15) no
O3 C5 C6 . . 111.2(8) no
C6 C5 H5A 4_565 . 178(3) no
C5 C5 H5A 4_565 . 82(3) no
O3 C5 H5A . . 106(3) no
C6 C5 H5A . . 116(3) no
C6 C5 H5B 4_565 . 72(3) no
C5 C5 H5B 4_565 . 132(3) no
O3 C5 H5B . . 97(3) no
C6 C5 H5B . . 116(3) no
H5A C5 H5B . . 108(2) no
C5 C6 C6 4_565 4_565 80.3(12) no
C5 C6 O3 4_565 4_565 74.0(9) no
C6 C6 O3 4_565 4_565 119.4(5) no
C5 C6 C5 4_565 . 46.3(11) no
O3 C6 C5 4_565 . 101.7(6) no
C5 C6 H6A 4_565 . 104(3) no
C6 C6 H6A 4_565 . 117(3) no
O3 C6 H6A 4_565 . 122(3) no
C5 C6 H6A . . 118(3) no
C5 C6 H6B 4_565 . 149(3) no
C6 C6 H6B 4_565 . 107(3) no
O3 C6 H6B 4_565 . 76(3) no
C5 C6 H6B . . 134(3) no
H6A C6 H6B . . 99(2) no
C1 O1 C1 . 4_565 114.5(6) no
C2 O2 C3 . . 115.6(4) no
C4 O3 C6 . 4_565 101.5(5) no
C4 O3 C5 . . 128.0(5) no
C6' C5' O4'' 4_565 4_565 82(4) no
O4'' C5' C6' 4_565 . 102.4(19) no
C6' C5' O4' 4_565 4_565 59(4) no
O4'' C5' O4' 4_565 4_565 48.6(11) no
C6' C5' O4' . 4_565 90.3(16) no
O4'' C5' C5' 4_565 4_565 109.2(9) no
O4' C5' C5' 4_565 4_565 101.0(8) no
C5' C6' C6' 4_565 4_565 138(4) no
C5' C6' O4' 4_565 . 106(5) no
C6' C6' O4' 4_565 . 115.9(10) no
C5' C6' O4'' 4_565 . 81(4) no
C6' C6' O4'' 4_565 . 123.3(10) no
O4' C6' O4'' . . 52.0(7) no
C5' C6' C5' 4_565 . 128(5) no
O4' C6' C5' . . 126.6(19) no
O4'' C6' C5' . . 128(2) no
O4'' C7' O4' . . 51.4(7) no
O4'' C7' C8' . . 94.2(10) no
O4' C7' C8' . . 125.7(12) no
O4'' C7' H7'1 . . 103(5) no
O4' C7' H7'1 . . 112(6) no
C8' C7' H7'1 . . 116(5) no
O4'' C7' H7'2 . . 132(5) no
O4' C7' H7'2 . . 83(5) no
C8' C7' H7'2 . . 103(5) no
H7'1 C7' H7'2 . . 109(3) no
O5' C8' C7' . . 109.9(11) no
O5' C8' H8'1 . . 109.7 no
C7' C8' H8'1 . . 109.7 no
O5' C8' H8'2 . . 109.7 no
C7' C8' H8'2 . . 109.7 no
H8'1 C8' H8'2 . . 108.2 no
O5' C9' C10' . . 108.9(11) no
O5' C9' H9'1 . . 109.9 no
C10' C9' H9'1 . . 109.9 no
O5' C9' H9'2 . . 109.9 no
C10' C9' H9'2 . . 109.9 no
H9'1 C9' H9'2 . . 108.3 no
O1' C10' C9' . . 104.1(14) no
O1' C10' H5B . . 115(3) no
C9' C10' H5B . . 128(3) no
O1' C10' H10A . . 110.9 no
C9' C10' H10A . . 110.9 no
H5B C10' H10A . . 86.8 no
O1' C10' H10B . . 110.9 no
C9' C10' H10B . . 110.9 no
H10A C10' H10B . . 109.0 no
C10' O1' C10' . 4_565 111.9(11) no
C10' O1' H6B . . 166.0(19) no
C10' O1' H6B 4_565 . 57(2) no
O4'' O4' C6' . . 64.8(7) no
O4'' O4' C7' . . 64.1(6) no
C6' O4' C7' . . 113.0(11) no
O4'' O4' C5' . 4_565 59.3(11) no
C7' O4' C5' . 4_565 99.1(11) no
O4' O4'' C5' . 4_565 72.0(13) no
O4' O4'' C6' . . 63.2(7) no
O4' O4'' C7' . . 64.6(6) no
C5' O4'' C7' 4_565 . 106.9(13) no
C6' O4'' C7' . . 112.3(10) no
C8' O5' C9' . . 113.6(9) no
Ni1 Ni1 O9' 4_565 4_565 137.8(8) no
Ni1 Ni1 O8 4_565 4_565 179.0(9) no
O9' Ni1 O8 4_565 4_565 41.7(8) no
Ni1 Ni1 O9' 4_565 . 34.5(7) no
O9' Ni1 O9' 4_565 . 103.3(15) no
O8 Ni1 O9' 4_565 . 145.0(11) no
Ni1 Ni1 O7 4_565 . 92.7(2) no
O9' Ni1 O7 4_565 . 79.0(6) no
O8 Ni1 O7 4_565 . 86.4(9) no
O9' Ni1 O7 . . 84.7(5) no
Ni1 Ni1 O6 4_565 . 84.43(10) no
O9' Ni1 O6 4_565 . 100.9(7) no
O8 Ni1 O6 4_565 . 96.5(9) no
O9' Ni1 O6 . . 91.1(5) no
O7 Ni1 O6 . . 175.6(2) no
Ni1 Ni1 N3 4_565 . 84.48(9) no
O9' Ni1 N3 4_565 . 136.9(9) no
O8 Ni1 N3 4_565 . 95.9(6) no
O9' Ni1 N3 . . 118.4(8) no
O7 Ni1 N3 . . 93.94(12) no
O6 Ni1 N3 . . 89.08(10) no
Ni1 Ni1 O7 4_565 4_565 76.4(2) no
O9' Ni1 O7 4_565 4_565 91.3(5) no
O8 Ni1 O7 4_565 4_565 102.7(8) no
O9' Ni1 O7 . 4_565 71.2(6) no
O7 Ni1 O7 . 4_565 16.3(4) no
O6 Ni1 O7 . 4_565 160.5(3) no
N3 Ni1 O7 . 4_565 92.28(12) no
Ni1 Ni1 O8 4_565 . 0.8(7) no
O9' Ni1 O8 4_565 . 137.4(11) no
O8 Ni1 O8 4_565 . 178.2(15) no
O9' Ni1 O8 . . 34.1(7) no
O7 Ni1 O8 . . 92.0(7) no
O6 Ni1 O8 . . 85.2(7) no
N3 Ni1 O8 . . 84.8(5) no
O7 Ni1 O8 4_565 . 75.6(8) no
Ni1 Ni1 O11 4_565 . 175.4(3) no
O9' Ni1 O11 4_565 . 46.1(7) no
O8 Ni1 O11 4_565 . 5.4(10) no
O9' Ni1 O11 . . 149.2(9) no
O7 Ni1 O11 . . 90.6(4) no
O6 Ni1 O11 . . 92.4(3) no
N3 Ni1 O11 . . 92.2(3) no
O7 Ni1 O11 4_565 . 106.9(4) no
O8 Ni1 O11 . . 176.1(5) no
Ni1 Ni1 O12 4_565 . 121.7(2) no
O9' Ni1 O12 4_565 . 19.4(10) no
O8 Ni1 O12 4_565 . 58.0(7) no
O9' Ni1 O12 . . 88.1(8) no
O7 Ni1 O12 . . 89.2(2) no
O6 Ni1 O12 . . 89.5(2) no
N3 Ni1 O12 . . 153.5(3) no
O7 Ni1 O12 4_565 . 97.8(2) no
O8 Ni1 O12 . . 121.5(5) no
O11 Ni1 O12 . . 61.4(3) no
Ni1 Ni1 O12 4_565 4_565 50.2(2) no
O9' Ni1 O12 4_565 4_565 88.5(9) no
O8 Ni1 O12 4_565 4_565 129.6(7) no
O9' Ni1 O12 . 4_565 18.3(8) no
O7 Ni1 O12 . 4_565 92.3(3) no
O6 Ni1 O12 . 4_565 83.3(2) no
N3 Ni1 O12 . 4_565 134.5(2) no
O7 Ni1 O12 4_565 4_565 81.9(2) no
O8 Ni1 O12 . 4_565 49.9(5) no
O11 Ni1 O12 . 4_565 132.8(4) no
O12 Ni1 O12 . 4_565 71.6(4) no
Ni1 O6 H6C 4_565 . 115(6) no
Ni1 O6 H6C . . 125(6) no
Ni1 O6 H6D 4_565 . 118(5) no
Ni1 O6 H6D . . 110(5) no
H6C O6 H6D . . 106(3) no
O7 O7 Ni1 4_565 . 87.3(2) no
O7 O7 Ni1 4_565 4_565 76.4(2) no
O7 O7 H7C 4_565 . 69.3(8) no
Ni1 O7 H7C . . 129(3) no
Ni1 O7 H7C 4_565 . 123(3) no
O7 O7 H7D 4_565 . 128(4) no
Ni1 O7 H7D . . 124(3) no
Ni1 O7 H7D 4_565 . 131(3) no
H7C O7 H7D . . 106(3) no
N2 N1' O11 4_565 4_565 141(3) no
N2 N1' O8' 4_565 . 148(5) no
N2 N1' O10' 4_565 . 74(3) no
O11 N1' O10' 4_565 . 143(3) no
O8' N1' O10' . . 108(3) no
N2 N1' O9' 4_565 . 54(2) no
O11 N1' O9' 4_565 . 90.0(18) no
O8' N1' O9' . . 123.6(19) no
O10' N1' O9' . . 126(3) no
N2 N1' O13 4_565 4_565 59(3) no
O11 N1' O13 4_565 4_565 159.7(17) no
O8' N1' O13 . 4_565 123.6(15) no
O9' N1' O13 . 4_565 110.0(15) no
O11 N1' O12 4_565 4_565 113.4(16) no
O8' N1' O12 . 4_565 137.1(19) no
O10' N1' O12 . 4_565 103(3) no
O13 N1' O12 4_565 4_565 86.9(12) no
O11 O8' N2 4_565 4_565 47.6(12) no
O12 O9' N2 4_565 4_565 83.0(15) no
O12 O9' N1' 4_565 . 107.2(19) no
O12 O9' O11 4_565 4_565 135.2(15) no
N2 O9' O11 4_565 4_565 57.7(10) no
O12 O9' Ni1 4_565 4_565 117(2) no
N2 O9' Ni1 4_565 4_565 133.1(13) no
N1' O9' Ni1 . 4_565 114.3(15) no
O11 O9' Ni1 4_565 4_565 82.3(13) no
O12 O9' Ni1 4_565 . 111(2) no
N2 O9' Ni1 4_565 . 139.4(12) no
N1' O9' Ni1 . . 121.8(14) no
O11 O9' Ni1 4_565 . 90.1(13) no
O13 O10' N2 4_565 4_565 84(6) no
O13 O10' N1' 4_565 . 108(7) no
N2 N1 O13 4_565 4_565 108(9) no
N2 N1 O10 4_565 . 142(9) no
O13 N1 O9 4_565 . 87.4(16) no
O10 N1 O9 . . 124(2) no
N2 N1 O11 4_565 4_565 107(8) no
O13 N1 O11 4_565 4_565 135.7(19) no
O10 N1 O11 . 4_565 101.2(19) no
O9 N1 O11 . 4_565 134.4(15) no
N2 N1 O8 4_565 . 93(8) no
O13 N1 O8 4_565 . 155.9(19) no
O10 N1 O8 . . 120(2) no
O9 N1 O8 . . 116.2(15) no
O13 N1 O12 4_565 4_565 113.7(16) no
O10 N1 O12 . 4_565 149(2) no
O11 N1 O12 4_565 4_565 109.9(13) no
O8 N1 O12 . 4_565 90.3(13) no
O11 O8 N1 4_565 . 76(3) no
O11 O8 N2 4_565 4_565 82(3) no
O11 O8 Ni1 4_565 4_565 154(5) no
N1 O8 Ni1 . 4_565 120.6(15) no
N2 O8 Ni1 4_565 4_565 113.1(13) no
O11 O8 Ni1 4_565 . 154(5) no
N1 O8 Ni1 . . 120.5(14) no
N2 O8 Ni1 4_565 . 113.0(12) no
O12 O9 N2 4_565 4_565 89.4(19) no
O12 O9 N1 4_565 . 92(2) no
O12 O9 O13 4_565 4_565 135(2) no
N2 O9 O13 4_565 4_565 47.9(10) no
O13 O10 N1 4_565 . 67.0(18) no
O13 O10 N2 4_565 4_565 62.8(16) no
N1 N2 O9' 4_565 4_565 119(9) no
N1' N2 O9' 4_565 4_565 101(3) no
N1 N2 O9 4_565 4_565 145(7) no
N1' N2 O9 4_565 4_565 169(3) no
O9' N2 O9 4_565 4_565 70.2(14) no
N1 N2 O10' 4_565 4_565 51(8) no
N1' N2 O10' 4_565 4_565 80(3) no
O9' N2 O10' 4_565 4_565 164(2) no
O9 N2 O10' 4_565 4_565 110(3) no
N1 N2 O13 4_565 . 64(8) no
N1' N2 O13 4_565 . 99(3) no
O9' N2 O13 4_565 . 150.4(13) no
O9 N2 O13 4_565 . 91.4(13) no
N1 N2 O12 4_565 . 148(8) no
N1' N2 O12 4_565 . 139(3) no
O10' N2 O12 4_565 . 141(3) no
O13 N2 O12 . . 120.9(11) no
N1 N2 O8 4_565 4_565 79(8) no
O9' N2 O8 4_565 4_565 59.7(12) no
O9 N2 O8 4_565 4_565 127.1(15) no
O10' N2 O8 4_565 4_565 122(3) no
O13 N2 O8 . 4_565 141.3(14) no
O12 N2 O8 . 4_565 96.8(11) no
N1 N2 O11 4_565 . 65(8) no
O9' N2 O11 4_565 . 79.6(12) no
O9 N2 O11 4_565 . 145.7(14) no
O10' N2 O11 4_565 . 103(3) no
O13 N2 O11 . . 122.7(13) no
O12 N2 O11 . . 116.3(10) no
N1' N2 O10 4_565 4_565 67(3) no
O9' N2 O10 4_565 4_565 150(2) no
O9 N2 O10 4_565 4_565 123.6(18) no
O12 N2 O10 . 4_565 150(2) no
O8 N2 O10 4_565 4_565 108.5(19) no
O11 N2 O10 . 4_565 90.7(18) no
N1 N2 O8' 4_565 4_565 62(7) no
O9' N2 O8' 4_565 4_565 102.9(12) no
O9 N2 O8' 4_565 4_565 152.3(14) no
O10' N2 O8' 4_565 4_565 84(3) no
O13 N2 O8' . 4_565 103.7(11) no
O12 N2 O8' . 4_565 133.5(9) no
O10 N2 O8' 4_565 4_565 76(2) no
O8 O11 O8' 4_565 4_565 151(5) no
O8 O11 N1' 4_565 4_565 92(4) no
O8' O11 N1' 4_565 4_565 97.2(17) no
O8 O11 N1 4_565 4_565 84(3) no
O8' O11 N1 4_565 4_565 104.6(18) no
O8 O11 N2 4_565 . 79(4) no
O8' O11 N2 4_565 . 106.4(16) no
O8' O11 O9' 4_565 4_565 142.2(16) no
N1' O11 O9' 4_565 4_565 56.4(11) no
N1 O11 O9' 4_565 4_565 47.8(9) no
O8' O11 Ni1 4_565 . 131.1(15) no
N1' O11 Ni1 4_565 . 106.1(13) no
N1 O11 Ni1 4_565 . 97.7(11) no
N2 O11 Ni1 . . 91.2(9) no
O9' O11 Ni1 4_565 . 51.5(8) no
O9 O12 O9' 4_565 4_565 116(3) no
O9 O12 N2 4_565 . 59.9(19) no
O9' O12 N2 4_565 . 57.2(11) no
O9 O12 N1 4_565 4_565 61.2(18) no
O9' O12 N1 4_565 4_565 55.3(14) no
O9 O12 N1' 4_565 4_565 71.9(19) no
O9' O12 N1' 4_565 4_565 45.9(13) no
O9 O12 Ni1 4_565 . 146(2) no
N2 O12 Ni1 . . 90.9(8) no
N1 O12 Ni1 4_565 . 90.8(10) no
N1' O12 Ni1 4_565 . 79.1(8) no
O9 O12 Ni1 4_565 4_565 153(2) no
O9' O12 Ni1 4_565 4_565 50.4(14) no
N2 O12 Ni1 . 4_565 99.0(8) no
N1 O12 Ni1 4_565 4_565 98.9(10) no
N1' O12 Ni1 4_565 4_565 87.2(8) no
O10' O13 N1 4_565 4_565 71(4) no
O10 O13 N1 4_565 4_565 76.5(18) no
O10' O13 N2 4_565 . 76(4) no
O10 O13 N2 4_565 . 84(2) no
O10' O13 N1' 4_565 4_565 55(4) no
O10 O13 N1' 4_565 4_565 63(2) no
O10' O13 O9 4_565 4_565 115(5) no
O10 O13 O9 4_565 4_565 124(2) no
N1 O13 O9 4_565 4_565 48.1(10) no
N1' O13 O9 4_565 4_565 62.9(9) no
C12 C11 H11A . . 110(3) no
C12 C11 H11B . . 103(2) no
H11A C11 H11B . . 111.2(17) no
N3 C12 C11 . . 179.0(4) no
C12 N3 Ni1 . 4_565 164.3(2) no
C12 N3 Ni1 . . 164.3(2) no
C14 C13 H13A . . 130(3) no
C14 C13 H13B . . 101(2) no
H13A C13 H13B . . 107.4(17) no
N4 C14 C13 . . 177.9(5) 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 . 1.405(5) no
C1 C2 . 1.484(7) no
C1 H1A . 0.9800 no
C1 H1B . 0.9800 no
C2 O2 . 1.412(6) no
C2 H2A . 0.9800 no
C2 H2B . 0.9800 no
C2 H7'1 . 0.89(5) no
C2 H7'2 . 1.29(4) no
C3 O2 . 1.419(5) no
C3 C4 . 1.481(6) no
C3 H3A . 0.9800 no
C3 H3B . 0.9800 no
C4 O3 . 1.416(7) no
C4 H4A . 0.9800 no
C4 H4B . 0.9800 no
C5 C6 4_565 0.844(10) no
C5 C5 4_565 1.090(17) no
C5 O3 . 1.450(7) no
C5 C6 . 1.487(8) no
C5 H5A . 0.998(18) no
C5 H5B . 0.985(19) no
C6 C5 4_565 0.845(10) no
C6 C6 4_565 1.37(2) no
C6 O3 4_565 1.433(11) no
C6 H6A . 1.022(19) no
C6 H6B . 1.055(19) no
O1 C1 4_565 1.405(5) no
O3 C6 4_565 1.433(11) no
C5' C6' 4_565 0.42(4) no
C5' O4'' 4_565 1.43(3) no
C5' C6' . 1.503(10) no
C5' O4' 4_565 1.58(3) no
C6' C5' 4_565 0.42(4) no
C6' C6' 4_565 1.16(4) no
C6' O4' . 1.411(10) no
C6' O4'' . 1.431(10) no
C7' O4'' . 1.434(9) no
C7' O4' . 1.440(10) no
C7' C8' . 1.499(10) no
C7' H7'1 . 0.99(2) no
C7' H7'2 . 0.98(2) no
C8' O5' . 1.410(8) no
C8' H8'1 . 0.9800 no
C8' H8'2 . 0.9800 no
C9' O5' . 1.427(9) no
C9' C10' . 1.488(10) no
C9' H9'1 . 0.9800 no
C9' H9'2 . 0.9800 no
C10' O1' . 1.420(8) no
C10' H5B . 0.94(4) no
C10' H10A . 0.9800 no
C10' H10B . 0.9800 no
O1' C10' 4_565 1.420(8) no
O1' H6B . 1.08(4) no
O4' O4'' . 1.245(14) no
O4' C5' 4_565 1.58(3) no
O4'' C5' 4_565 1.43(3) no
Ni1 Ni1 4_565 0.393(7) no
Ni1 O9' 4_565 1.654(15) no
Ni1 O8 4_565 1.681(16) no
Ni1 O9' . 1.964(14) no
Ni1 O7 . 2.015(3) no
Ni1 O6 . 2.028(2) no
Ni1 N3 . 2.047(3) no
Ni1 O7 4_565 2.071(3) no
Ni1 O8 . 2.074(16) no
Ni1 O11 . 2.094(15) no
Ni1 O12 . 2.143(14) no
Ni1 O12 4_565 2.374(15) no
O6 Ni1 4_565 2.028(2) no
O6 H6C . 0.818(19) no
O6 H6D . 0.828(19) no
O7 O7 4_565 0.584(16) no
O7 Ni1 4_565 2.071(3) no
O7 H7C . 0.826(18) no
O7 H7D . 0.819(19) no
N1' N2 4_565 0.54(3) no
N1' O11 4_565 0.84(2) no
N1' O8' . 1.214(10) no
N1' O10' . 1.220(10) no
N1' O9' . 1.268(10) no
N1' O13 4_565 1.41(3) no
N1' O12 4_565 1.69(2) no
O8' O11 4_565 0.775(16) no
O8' N2 4_565 1.699(19) no
O9' O12 4_565 0.80(2) no
O9' N2 4_565 1.050(16) no
O9' O11 4_565 1.523(17) no
O9' Ni1 4_565 1.654(15) no
O10' O13 4_565 0.42(6) no
O10' N2 4_565 1.19(3) no
N1 N2 4_565 0.18(2) no
N1 O13 4_565 1.15(2) no
N1 O10 . 1.218(10) no
N1 O9 . 1.226(10) no
N1 O11 4_565 1.24(2) no
N1 O8 . 1.276(10) no
N1 O12 4_565 1.40(2) no
O8 O11 4_565 0.450(17) no
O8 N2 4_565 1.30(2) no
O8 Ni1 4_565 1.681(16) no
O9 O12 4_565 0.634(13) no
O9 N2 4_565 1.07(2) no
O9 O13 4_565 1.64(2) no
O10 O13 4_565 0.74(3) no
O10 N2 4_565 1.37(2) no
N2 N1 4_565 0.18(2) no
N2 N1' 4_565 0.54(3) no
N2 O9' 4_565 1.050(16) no
N2 O9 4_565 1.07(2) no
N2 O10' 4_565 1.19(3) no
N2 O13 . 1.221(14) no
N2 O12 . 1.240(13) no
N2 O8 4_565 1.30(2) no
N2 O11 . 1.309(11) no
N2 O10 4_565 1.37(2) no
N2 O8' 4_565 1.699(19) no
O11 O8 4_565 0.450(17) no
O11 O8' 4_565 0.776(16) no
O11 N1' 4_565 0.84(2) no
O11 N1 4_565 1.24(2) no
O11 O9' 4_565 1.523(17) no
O12 O9 4_565 0.634(13) no
O12 O9' 4_565 0.80(2) no
O12 N1 4_565 1.40(2) no
O12 N1' 4_565 1.69(2) no
O12 Ni1 4_565 2.374(15) no
O13 O10' 4_565 0.42(6) no
O13 O10 4_565 0.74(3) no
O13 N1 4_565 1.15(2) no
O13 N1' 4_565 1.41(3) no
O13 O9 4_565 1.64(2) no
C11 C12 . 1.458(5) no
C11 H11A . 0.97(5) no
C11 H11B . 0.96(3) no
C12 N3 . 1.132(4) no
N3 Ni1 4_565 2.047(3) no
C13 C14 . 1.430(6) no
C13 H13A . 0.99(3) no
C13 H13B . 0.99(3) no
C14 N4 . 1.115(5) 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 . 0.818(19) 1.97(3) 2.773(3) 167(7)
O6 H6D O4'' 4_565 0.828(19) 1.93(3) 2.726(11) 161(7)
O7 H7C O1 1_554 0.826(18) 2.13(2) 2.915(5) 159.1(9)
O7 H7D O3 4_564 0.819(19) 2.02(3) 2.790(5) 157(6)
O7 H7C O4' 1_554 0.826(18) 2.015(19) 2.814(11) 163(2)
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 . . -64.8(8) no
O2 C3 C4 O3 . . 71.6(9) no
C6 C5 C6 C5 4_565 4_565 179.996(5) no
O3 C5 C6 C5 . 4_565 122.8(8) no
C5 C5 C6 C6 4_565 4_565 180.004(7) no
O3 C5 C6 C6 . 4_565 -57.2(8) no
C6 C5 C6 O3 4_565 4_565 126.0(6) no
C5 C5 C6 O3 4_565 4_565 -54.0(6) no
O3 C5 C6 O3 . 4_565 68.8(9) no
C2 C1 O1 C1 . 4_565 164.7(3) no
C1 C2 O2 C3 . . 170.6(5) no
C4 C3 O2 C2 . . -167.5(6) no
C3 C4 O3 C6 . 4_565 -152.8(9) no
C3 C4 O3 C5 . . -176.6(6) no
C6 C5 O3 C4 4_565 . 45.0(15) no
C5 C5 O3 C4 4_565 . 134.1(8) no
C6 C5 O3 C4 . . 98.7(10) no
C5 C5 O3 C6 4_565 4_565 89.1(12) no
C6 C5 O3 C6 . 4_565 53.7(13) no
C6' C5' C6' C5' 4_565 4_565 179.99(2) no
O4'' C5' C6' C5' 4_565 4_565 -130(6) no
O4' C5' C6' C5' 4_565 4_565 -178(6) no
O4'' C5' C6' C6' 4_565 4_565 50(6) no
O4' C5' C6' C6' 4_565 4_565 2(6) no
C5' C5' C6' C6' 4_565 4_565 -179.99(4) no
C6' C5' C6' O4' 4_565 . -3(9) no
O4'' C5' C6' O4' 4_565 . 47(3) no
O4' C5' C6' O4' 4_565 . -1(2) no
C5' C5' C6' O4' 4_565 . 177(9) no
C6' C5' C6' O4'' 4_565 . -70(8) no
O4'' C5' C6' O4'' 4_565 . -20(3) no
O4' C5' C6' O4'' 4_565 . -68(2) no
C5' C5' C6' O4'' 4_565 . 110(8) no
O4'' C7' C8' O5' . . 77.2(14) no
O4' C7' C8' O5' . . 33(2) no
O5' C9' C10' O1' . . -76(2) no
C9' C10' O1' C10' . 4_565 165.0(7) no
C5' C6' O4' O4'' 4_565 . 65(5) no
C6' C6' O4' O4'' 4_565 . -113.3(9) no
C5' C6' O4' O4'' . . -113(2) no
C5' C6' O4' C7' 4_565 . 21(5) no
C6' C6' O4' C7' 4_565 . -156.8(7) no
O4'' C6' O4' C7' . . -43.5(11) no
C5' C6' O4' C7' . . -156(2) no
C6' C6' O4' C5' 4_565 4_565 -178(5) no
O4'' C6' O4' C5' . 4_565 -65(5) no
C5' C6' O4' C5' . 4_565 -177(7) no
C8' C7' O4' O4'' . . 62.7(15) no
O4'' C7' O4' C6' . . 43.8(11) no
C8' C7' O4' C6' . . 106.5(19) no
O4'' C7' O4' C5' . 4_565 49.3(12) no
C8' C7' O4' C5' . 4_565 111.9(19) no
C6' O4' O4'' C5' . 4_565 -15.7(17) no
C7' O4' O4'' C5' . 4_565 119.5(12) no
C7' O4' O4'' C6' . . 135.2(13) no
C5' O4' O4'' C6' 4_565 . 15.7(17) no
C6' O4' O4'' C7' . . -135.2(13) no
C5' O4' O4'' C7' 4_565 . -119.5(13) no
C5' C6' O4'' O4' 4_565 . -118(5) no
C6' C6' O4'' O4' 4_565 . 98.6(9) no
C5' C6' O4'' O4' . . 111(2) no
C6' C6' O4'' C5' 4_565 4_565 -143(5) no
O4' C6' O4'' C5' . 4_565 118(5) no
C5' C6' O4'' C5' . 4_565 -131(7) no
C5' C6' O4'' C7' 4_565 . -75(5) no
C6' C6' O4'' C7' 4_565 . 142.0(11) no
O4' C6' O4'' C7' . . 43.4(12) no
C5' C6' O4'' C7' . . 154(2) no
C8' C7' O4'' O4' . . -133.7(13) no
O4' C7' O4'' C5' . 4_565 -59.9(13) no
C8' C7' O4'' C5' . 4_565 166.4(13) no
O4' C7' O4'' C6' . . -42.8(11) no
C8' C7' O4'' C6' . . -176.5(13) no
C7' C8' O5' C9' . . -163.5(16) no
C10' C9' O5' C8' . . 167.0(15) no
O9' Ni1 O6 Ni1 4_565 4_565 137.6(9) no
O8 Ni1 O6 Ni1 4_565 4_565 179.7(6) no
O9' Ni1 O6 Ni1 . 4_565 33.9(8) no
N3 Ni1 O6 Ni1 . 4_565 -84.54(9) no
O7 Ni1 O6 Ni1 4_565 4_565 9.7(4) no
O8 Ni1 O6 Ni1 . 4_565 0.3(5) no
O11 Ni1 O6 Ni1 . 4_565 -176.7(3) no
O12 Ni1 O6 Ni1 . 4_565 122.0(2) no
O12 Ni1 O6 Ni1 4_565 4_565 50.5(2) no
Ni1 Ni1 O7 O7 4_565 4_565 0.005(2) no
O9' Ni1 O7 O7 4_565 4_565 -138.2(9) no
O8 Ni1 O7 O7 4_565 4_565 -179.7(6) no
O9' Ni1 O7 O7 . 4_565 -33.6(8) no
N3 Ni1 O7 O7 . 4_565 84.65(10) no
O8 Ni1 O7 O7 . 4_565 -0.2(5) no
O11 Ni1 O7 O7 . 4_565 176.9(3) no
O12 Ni1 O7 O7 . 4_565 -121.7(2) no
O12 Ni1 O7 O7 4_565 4_565 -50.2(2) no
O9' Ni1 O7 Ni1 4_565 4_565 -138.2(9) no
O8 Ni1 O7 Ni1 4_565 4_565 -179.7(6) no
O9' Ni1 O7 Ni1 . 4_565 -33.6(8) no
N3 Ni1 O7 Ni1 . 4_565 84.65(10) no
O7 Ni1 O7 Ni1 4_565 4_565 -0.005(3) no
O8 Ni1 O7 Ni1 . 4_565 -0.2(5) no
O11 Ni1 O7 Ni1 . 4_565 176.8(3) no
O12 Ni1 O7 Ni1 . 4_565 -121.7(2) no
O12 Ni1 O7 Ni1 4_565 4_565 -50.2(2) no
N2 N1' O8' O11 4_565 4_565 -111(7) no
O10' N1' O8' O11 . 4_565 160(4) no
O9' N1' O8' O11 . 4_565 -36(2) no
O13 N1' O8' O11 4_565 4_565 165(4) no
O12 N1' O8' O11 4_565 4_565 -67(3) no
O11 N1' O8' N2 4_565 4_565 111(7) no
O10' N1' O8' N2 . 4_565 -89(7) no
O9' N1' O8' N2 . 4_565 75(6) no
O13 N1' O8' N2 4_565 4_565 -84(7) no
O12 N1' O8' N2 4_565 4_565 44(5) no
N2 N1' O9' O12 4_565 4_565 12(4) no
O11 N1' O9' O12 4_565 4_565 -151(2) no
O8' N1' O9' O12 . 4_565 -129(3) no
O10' N1' O9' O12 . 4_565 32(4) no
O13 N1' O9' O12 4_565 4_565 32(3) no
O11 N1' O9' N2 4_565 4_565 -163(6) no
O8' N1' O9' N2 . 4_565 -142(6) no
O10' N1' O9' N2 . 4_565 20(2) no
O13 N1' O9' N2 4_565 4_565 20(2) no
O12 N1' O9' N2 4_565 4_565 -12(4) no
N2 N1' O9' O11 4_565 4_565 163(6) no
O8' N1' O9' O11 . 4_565 21.8(15) no
O10' N1' O9' O11 . 4_565 -177(5) no
O13 N1' O9' O11 4_565 4_565 -177(4) no
O12 N1' O9' O11 4_565 4_565 151(2) no
N2 N1' O9' Ni1 4_565 4_565 144(4) no
O11 N1' O9' Ni1 4_565 4_565 -19(3) no
O8' N1' O9' Ni1 . 4_565 3(4) no
O10' N1' O9' Ni1 . 4_565 164(3) no
O13 N1' O9' Ni1 4_565 4_565 164.2(16) no
O12 N1' O9' Ni1 4_565 4_565 132(3) no
N2 N1' O9' Ni1 4_565 . 142(4) no
O11 N1' O9' Ni1 4_565 . -21(3) no
O8' N1' O9' Ni1 . . 0(4) no
O10' N1' O9' Ni1 . . 162(3) no
O13 N1' O9' Ni1 4_565 . 162.0(15) no
O12 N1' O9' Ni1 4_565 . 130(3) no
Ni1 Ni1 O9' O12 4_565 4_565 143.0(17) no
O9' Ni1 O9' O12 4_565 4_565 -37.0(17) no
O8 Ni1 O9' O12 4_565 4_565 -38(2) no
O7 Ni1 O9' O12 . 4_565 -114.3(12) no
O6 Ni1 O9' O12 . 4_565 64.5(12) no
N3 Ni1 O9' O12 . 4_565 154.1(11) no
O7 Ni1 O9' O12 4_565 4_565 -123.8(13) no
O8 Ni1 O9' O12 . 4_565 144(2) no
O11 Ni1 O9' O12 . 4_565 -32.2(18) no
O12 Ni1 O9' O12 . 4_565 -24.9(11) no
Ni1 Ni1 O9' N2 4_565 4_565 38(3) no
O9' Ni1 O9' N2 4_565 4_565 -142(3) no
O8 Ni1 O9' N2 4_565 4_565 -143(3) no
O7 Ni1 O9' N2 . 4_565 141(4) no
O6 Ni1 O9' N2 . 4_565 -40(4) no
N3 Ni1 O9' N2 . 4_565 49(4) no
O7 Ni1 O9' N2 4_565 4_565 132(4) no
O8 Ni1 O9' N2 . 4_565 40(3) no
O11 Ni1 O9' N2 . 4_565 -137(3) no
O12 Ni1 O9' N2 . 4_565 -130(4) no
O12 Ni1 O9' N2 4_565 4_565 -105(4) no
Ni1 Ni1 O9' N1' 4_565 . 15.0(19) no
O9' Ni1 O9' N1' 4_565 . -165.0(19) no
O8 Ni1 O9' N1' 4_565 . -166(2) no
O7 Ni1 O9' N1' . . 118(2) no
O6 Ni1 O9' N1' . . -63(2) no
N3 Ni1 O9' N1' . . 26(3) no
O7 Ni1 O9' N1' 4_565 . 108(3) no
O8 Ni1 O9' N1' . . 16(2) no
O11 Ni1 O9' N1' . . -160(2) no
O12 Ni1 O9' N1' . . -153(2) no
O12 Ni1 O9' N1' 4_565 . -128(3) no
Ni1 Ni1 O9' O11 4_565 4_565 3.4(5) no
O9' Ni1 O9' O11 4_565 4_565 -176.6(5) no
O8 Ni1 O9' O11 4_565 4_565 -178.0(11) no
O7 Ni1 O9' O11 . 4_565 106.1(11) no
O6 Ni1 O9' O11 . 4_565 -75.1(10) no
N3 Ni1 O9' O11 . 4_565 14.5(12) no
O7 Ni1 O9' O11 4_565 4_565 96.6(12) no
O8 Ni1 O9' O11 . 4_565 4.6(16) no
O11 Ni1 O9' O11 . 4_565 -171.8(11) no
O12 Ni1 O9' O11 . 4_565 -164.5(10) no
O12 Ni1 O9' O11 4_565 4_565 -139.6(17) no
O9' Ni1 O9' Ni1 4_565 4_565 180.005(4) no
O8 Ni1 O9' Ni1 4_565 4_565 178.6(14) no
O7 Ni1 O9' Ni1 . 4_565 102.7(9) no
O6 Ni1 O9' Ni1 . 4_565 -78.5(9) no
N3 Ni1 O9' Ni1 . 4_565 11.1(11) no
O7 Ni1 O9' Ni1 4_565 4_565 93.2(11) no
O8 Ni1 O9' Ni1 . 4_565 1.2(12) no
O11 Ni1 O9' Ni1 . 4_565 -175.2(7) no
O12 Ni1 O9' Ni1 . 4_565 -167.9(9) no
O12 Ni1 O9' Ni1 4_565 4_565 -143.0(17) no
N2 N1' O10' O13 4_565 4_565 17(7) no
O11 N1' O10' O13 4_565 4_565 -174(7) no
O8' N1' O10' O13 . 4_565 164(6) no
O9' N1' O10' O13 . 4_565 0(8) no
O12 N1' O10' O13 4_565 4_565 15(7) no
O11 N1' O10' N2 4_565 4_565 169(9) no
O8' N1' O10' N2 . 4_565 147(6) no
O9' N1' O10' N2 . 4_565 -17(2) no
O13 N1' O10' N2 4_565 4_565 -17(7) no
O12 N1' O10' N2 4_565 4_565 -2(3) no
N2 N1 O8 O11 4_565 4_565 136(9) no
O13 N1 O8 O11 4_565 4_565 -13(7) no
O10 N1 O8 O11 . 4_565 -25(4) no
O9 N1 O8 O11 . 4_565 156(4) no
O12 N1 O8 O11 4_565 4_565 163(5) no
O13 N1 O8 N2 4_565 4_565 -148(10) no
O10 N1 O8 N2 . 4_565 -160(7) no
O9 N1 O8 N2 . 4_565 20(7) no
O11 N1 O8 N2 4_565 4_565 -136(9) no
O12 N1 O8 N2 4_565 4_565 28(7) no
N2 N1 O8 Ni1 4_565 4_565 -22(8) no
O13 N1 O8 Ni1 4_565 4_565 -170(4) no
O10 N1 O8 Ni1 . 4_565 178(2) no
O9 N1 O8 Ni1 . 4_565 -2(2) no
O11 N1 O8 Ni1 4_565 4_565 -158(6) no
O12 N1 O8 Ni1 4_565 4_565 5.7(16) no
N2 N1 O8 Ni1 4_565 . -22(8) no
O13 N1 O8 Ni1 4_565 . -171(4) no
O10 N1 O8 Ni1 . . 177.7(19) no
O9 N1 O8 Ni1 . . -2.3(19) no
O11 N1 O8 Ni1 4_565 . -158(6) no
O12 N1 O8 Ni1 4_565 . 5.5(15) no
Ni1 Ni1 O8 O11 4_565 4_565 -2E1(3) no
O9' Ni1 O8 O11 4_565 4_565 -143(9) no
O9' Ni1 O8 O11 . 4_565 -142(11) no
O7 Ni1 O8 O11 . 4_565 141(10) no
O6 Ni1 O8 O11 . 4_565 -43(10) no
N3 Ni1 O8 O11 . 4_565 47(10) no
O7 Ni1 O8 O11 4_565 4_565 141(10) no
O12 Ni1 O8 O11 . 4_565 -129(10) no
O12 Ni1 O8 O11 4_565 4_565 -128(10) no
O9' Ni1 O8 N1 4_565 . -20(2) no
O9' Ni1 O8 N1 . . -18.1(10) no
O7 Ni1 O8 N1 . . -95.6(16) no
O6 Ni1 O8 N1 . . 81.1(16) no
N3 Ni1 O8 N1 . . 170.6(17) no
O7 Ni1 O8 N1 4_565 . -95.7(17) no
O12 Ni1 O8 N1 . . -5(2) no
O12 Ni1 O8 N1 4_565 . -4.2(11) no
O9' Ni1 O8 N2 4_565 4_565 -23(2) no
O9' Ni1 O8 N2 . 4_565 -21.4(12) no
O7 Ni1 O8 N2 . 4_565 -98.9(17) no
O6 Ni1 O8 N2 . 4_565 77.8(17) no
N3 Ni1 O8 N2 . 4_565 167.3(17) no
O7 Ni1 O8 N2 4_565 4_565 -99.0(17) no
O12 Ni1 O8 N2 . 4_565 -9(2) no
O12 Ni1 O8 N2 4_565 4_565 -7.5(11) no
N2 N1 O9 O12 4_565 4_565 60(16) no
O13 N1 O9 O12 4_565 4_565 -167(3) no
O10 N1 O9 O12 . 4_565 -163(2) no
O11 N1 O9 O12 4_565 4_565 29(3) no
O8 N1 O9 O12 . 4_565 17(2) no
O13 N1 O9 N2 4_565 4_565 133(16) no
O10 N1 O9 N2 . 4_565 138(16) no
O11 N1 O9 N2 4_565 4_565 -31(15) no
O8 N1 O9 N2 . 4_565 -42(16) no
O12 N1 O9 N2 4_565 4_565 -60(16) no
N2 N1 O9 O13 4_565 4_565 -133(16) no
O10 N1 O9 O13 . 4_565 5(2) no
O11 N1 O9 O13 4_565 4_565 -163(3) no
O8 N1 O9 O13 . 4_565 -175(2) no
O12 N1 O9 O13 4_565 4_565 167(3) no
N2 N1 O10 O13 4_565 4_565 25(10) no
O9 N1 O10 O13 . 4_565 -8(4) no
O11 N1 O10 O13 4_565 4_565 163(4) no
O8 N1 O10 O13 . 4_565 172(4) no
O12 N1 O10 O13 4_565 4_565 -23(5) no
O13 N1 O10 N2 4_565 4_565 -25(10) no
O9 N1 O10 N2 . 4_565 -34(11) no
O11 N1 O10 N2 4_565 4_565 138(11) no
O8 N1 O10 N2 . 4_565 146(11) no
O12 N1 O10 N2 4_565 4_565 -49(11) no
N1 N2 O11 O8 4_565 4_565 -132(10) no
N1' N2 O11 O8 4_565 4_565 -156(11) no
O9' N2 O11 O8 4_565 4_565 -3(4) no
O9 N2 O11 O8 4_565 4_565 25(6) no
O10' N2 O11 O8 4_565 4_565 -167(5) no
O13 N2 O11 O8 . 4_565 -162(4) no
O12 N2 O11 O8 . 4_565 13(5) no
O10 N2 O11 O8 4_565 4_565 -154(4) no
O8' N2 O11 O8 4_565 4_565 150(5) no
N1 N2 O11 O8' 4_565 4_565 78(9) no
N1' N2 O11 O8' 4_565 4_565 54(9) no
O9' N2 O11 O8' 4_565 4_565 -153.6(17) no
O9 N2 O11 O8' 4_565 4_565 -125(3) no
O10' N2 O11 O8' 4_565 4_565 43(2) no
O13 N2 O11 O8' . 4_565 48(2) no
O12 N2 O11 O8' . 4_565 -137.7(18) no
O8 N2 O11 O8' 4_565 4_565 -150(5) no
O10 N2 O11 O8' 4_565 4_565 55(2) no
N1 N2 O11 N1' 4_565 4_565 24(9) no
O9' N2 O11 N1' 4_565 4_565 153(9) no
O9 N2 O11 N1' 4_565 4_565 -179(11) no
O10' N2 O11 N1' 4_565 4_565 -11(8) no
O13 N2 O11 N1' . 4_565 -6(8) no
O12 N2 O11 N1' . 4_565 169(10) no
O8 N2 O11 N1' 4_565 4_565 156(11) no
O10 N2 O11 N1' 4_565 4_565 2(9) no
O8' N2 O11 N1' 4_565 4_565 -54(9) no
N1' N2 O11 N1 4_565 4_565 -24(9) no
O9' N2 O11 N1 4_565 4_565 129(9) no
O9 N2 O11 N1 4_565 4_565 157(10) no
O10' N2 O11 N1 4_565 4_565 -35(8) no
O13 N2 O11 N1 . 4_565 -30(8) no
O12 N2 O11 N1 . 4_565 145(9) no
O8 N2 O11 N1 4_565 4_565 132(10) no
O10 N2 O11 N1 4_565 4_565 -22(7) no
O8' N2 O11 N1 4_565 4_565 -78(9) no
N1 N2 O11 O9' 4_565 4_565 -129(9) no
N1' N2 O11 O9' 4_565 4_565 -153(9) no
O9 N2 O11 O9' 4_565 4_565 28(2) no
O10' N2 O11 O9' 4_565 4_565 -164(2) no
O13 N2 O11 O9' . 4_565 -159(2) no
O12 N2 O11 O9' . 4_565 15.9(12) no
O8 N2 O11 O9' 4_565 4_565 3(4) no
O10 N2 O11 O9' 4_565 4_565 -151(2) no
O8' N2 O11 O9' 4_565 4_565 153.6(17) no
N1 N2 O11 Ni1 4_565 . -149(9) no
N1' N2 O11 Ni1 4_565 . -173(9) no
O9' N2 O11 Ni1 4_565 . -19.9(11) no
O9 N2 O11 Ni1 4_565 . 8(3) no
O10' N2 O11 Ni1 4_565 . 176.5(19) no
O13 N2 O11 Ni1 . . -178.7(12) no
O12 N2 O11 Ni1 . . -3.9(11) no
O8 N2 O11 Ni1 4_565 . -17(4) no
O10 N2 O11 Ni1 4_565 . -170.9(16) no
O8' N2 O11 Ni1 4_565 . 133.8(17) no
O9' Ni1 O11 O8 4_565 4_565 -35(10) no
O9' Ni1 O11 O8 . 4_565 -42(11) no
O7 Ni1 O11 O8 . 4_565 39(10) no
O6 Ni1 O11 O8 . 4_565 -138(10) no
N3 Ni1 O11 O8 . 4_565 133(10) no
O7 Ni1 O11 O8 4_565 4_565 40(10) no
O12 Ni1 O11 O8 . 4_565 -50(10) no
O12 Ni1 O11 O8 4_565 4_565 -55(10) no
O9' Ni1 O11 O8' 4_565 4_565 130(2) no
O8 Ni1 O11 O8' 4_565 4_565 165(11) no
O9' Ni1 O11 O8' . 4_565 123.8(18) no
O7 Ni1 O11 O8' . 4_565 -155.7(19) no
O6 Ni1 O11 O8' . 4_565 27.5(19) no
N3 Ni1 O11 O8' . 4_565 -61.7(19) no
O7 Ni1 O11 O8' 4_565 4_565 -154.7(18) no
O12 Ni1 O11 O8' . 4_565 116(2) no
O12 Ni1 O11 O8' 4_565 4_565 110.6(19) no
O9' Ni1 O11 N1' 4_565 4_565 15(2) no
O8 Ni1 O11 N1' 4_565 4_565 50(10) no
O9' Ni1 O11 N1' . 4_565 9(3) no
O7 Ni1 O11 N1' . 4_565 89(2) no
O6 Ni1 O11 N1' . 4_565 -88(2) no
N3 Ni1 O11 N1' . 4_565 -177(2) no
O7 Ni1 O11 N1' 4_565 4_565 90(2) no
O12 Ni1 O11 N1' . 4_565 0(2) no
O12 Ni1 O11 N1' 4_565 4_565 -5(2) no
O9' Ni1 O11 N1 4_565 4_565 13.1(11) no
O8 Ni1 O11 N1 4_565 4_565 48(10) no
O9' Ni1 O11 N1 . 4_565 6.6(16) no
O7 Ni1 O11 N1 . 4_565 87.2(9) no
O6 Ni1 O11 N1 . 4_565 -89.7(9) no
N3 Ni1 O11 N1 . 4_565 -178.9(9) no
O7 Ni1 O11 N1 4_565 4_565 88.1(9) no
O12 Ni1 O11 N1 . 4_565 -1.7(8) no
O12 Ni1 O11 N1 4_565 4_565 -6.6(12) no
O9' Ni1 O11 N2 4_565 . 17.1(11) no
O8 Ni1 O11 N2 4_565 . 52(10) no
O9' Ni1 O11 N2 . . 10.6(14) no
O7 Ni1 O11 N2 . . 91.1(8) no
O6 Ni1 O11 N2 . . -85.7(8) no
N3 Ni1 O11 N2 . . -174.9(8) no
O7 Ni1 O11 N2 4_565 . 92.1(8) no
O12 Ni1 O11 N2 . . 2.3(7) no
O12 Ni1 O11 N2 4_565 . -2.6(10) no
O8 Ni1 O11 O9' 4_565 4_565 35(10) no
O9' Ni1 O11 O9' . 4_565 -6.5(9) no
O7 Ni1 O11 O9' . 4_565 74.0(11) no
O6 Ni1 O11 O9' . 4_565 -102.9(11) no
N3 Ni1 O11 O9' . 4_565 168.0(11) no
O7 Ni1 O11 O9' 4_565 4_565 74.9(11) no
O12 Ni1 O11 O9' . 4_565 -14.8(10) no
O12 Ni1 O11 O9' 4_565 4_565 -19.7(13) no
N1 N2 O12 O9 4_565 4_565 -109(16) no
N1' N2 O12 O9 4_565 4_565 173(7) no
O9' N2 O12 O9 4_565 4_565 -169(3) no
O10' N2 O12 O9 4_565 4_565 -14(4) no
O13 N2 O12 O9 . 4_565 -19(3) no
O8 N2 O12 O9 4_565 4_565 171(3) no
O11 N2 O12 O9 . 4_565 166(2) no
O10 N2 O12 O9 4_565 4_565 -41(4) no
O8' N2 O12 O9 4_565 4_565 142(3) no
N1 N2 O12 O9' 4_565 4_565 60(16) no
N1' N2 O12 O9' 4_565 4_565 -18(7) no
O9 N2 O12 O9' 4_565 4_565 169(3) no
O10' N2 O12 O9' 4_565 4_565 154(3) no
O13 N2 O12 O9' . 4_565 150(2) no
O8 N2 O12 O9' 4_565 4_565 -20.7(18) no
O11 N2 O12 O9' . 4_565 -25.0(15) no
O10 N2 O12 O9' 4_565 4_565 128(4) no
O8' N2 O12 O9' 4_565 4_565 -49(2) no
N1' N2 O12 N1 4_565 4_565 -78(19) no
O9' N2 O12 N1 4_565 4_565 -60(16) no
O9 N2 O12 N1 4_565 4_565 109(16) no
O10' N2 O12 N1 4_565 4_565 95(15) no
O13 N2 O12 N1 . 4_565 90(16) no
O8 N2 O12 N1 4_565 4_565 -80(16) no
O11 N2 O12 N1 . 4_565 -85(16) no
O10 N2 O12 N1 4_565 4_565 68(15) no
O8' N2 O12 N1 4_565 4_565 -109(16) no
N1 N2 O12 N1' 4_565 4_565 78(19) no
O9' N2 O12 N1' 4_565 4_565 18(7) no
O9 N2 O12 N1' 4_565 4_565 -173(7) no
O10' N2 O12 N1' 4_565 4_565 172(9) no
O13 N2 O12 N1' . 4_565 168(8) no
O8 N2 O12 N1' 4_565 4_565 -3(6) no
O11 N2 O12 N1' . 4_565 -7(6) no
O10 N2 O12 N1' 4_565 4_565 146(9) no
O8' N2 O12 N1' 4_565 4_565 -31(6) no
N1 N2 O12 Ni1 4_565 . 89(16) no
N1' N2 O12 Ni1 4_565 . 11(7) no
O9' N2 O12 Ni1 4_565 . 28.8(12) no
O9 N2 O12 Ni1 4_565 . -163(2) no
O10' N2 O12 Ni1 4_565 . -177(3) no
O13 N2 O12 Ni1 . . 178.7(12) no
O8 N2 O12 Ni1 4_565 . 8.1(13) no
O11 N2 O12 Ni1 . . 3.9(11) no
O10 N2 O12 Ni1 4_565 . 157(4) no
O8' N2 O12 Ni1 4_565 . -20.1(16) no
N1 N2 O12 Ni1 4_565 4_565 89(16) no
N1' N2 O12 Ni1 4_565 4_565 12(7) no
O9' N2 O12 Ni1 4_565 4_565 29.7(13) no
O9 N2 O12 Ni1 4_565 4_565 -162(2) no
O10' N2 O12 Ni1 4_565 4_565 -176(3) no
O13 N2 O12 Ni1 . 4_565 179.6(11) no
O8 N2 O12 Ni1 4_565 4_565 9.0(14) no
O11 N2 O12 Ni1 . 4_565 4.7(12) no
O10 N2 O12 Ni1 4_565 4_565 158(4) no
O8' N2 O12 Ni1 4_565 4_565 -19.2(17) no
Ni1 Ni1 O12 O9 4_565 4_565 146(4) no
O9' Ni1 O12 O9 4_565 4_565 -64(4) no
O8 Ni1 O12 O9 4_565 4_565 -35(4) no
O9' Ni1 O12 O9 . 4_565 154(4) no
O7 Ni1 O12 O9 . 4_565 -121(4) no
O6 Ni1 O12 O9 . 4_565 63(4) no
N3 Ni1 O12 O9 . 4_565 -24(4) no
O7 Ni1 O12 O9 4_565 4_565 -135(4) no
O8 Ni1 O12 O9 . 4_565 147(4) no
O11 Ni1 O12 O9 . 4_565 -30(4) no
O12 Ni1 O12 O9 4_565 4_565 146(4) no
Ni1 Ni1 O12 O9' 4_565 4_565 -150.1(13) no
O8 Ni1 O12 O9' 4_565 4_565 28.9(16) no
O9' Ni1 O12 O9' . 4_565 -142.0(16) no
O7 Ni1 O12 O9' . 4_565 -57.3(14) no
O6 Ni1 O12 O9' . 4_565 126.8(14) no
N3 Ni1 O12 O9' . 4_565 40.0(16) no
O7 Ni1 O12 O9' 4_565 4_565 -71.3(14) no
O8 Ni1 O12 O9' . 4_565 -149.2(15) no
O11 Ni1 O12 O9' . 4_565 33.8(13) no
O12 Ni1 O12 O9' 4_565 4_565 -150.0(13) no
Ni1 Ni1 O12 N2 4_565 . 173.7(6) no
O9' Ni1 O12 N2 4_565 . -36.2(14) no
O8 Ni1 O12 N2 4_565 . -7.4(12) no
O9' Ni1 O12 N2 . . -178.2(8) no
O7 Ni1 O12 N2 . . -93.6(7) no
O6 Ni1 O12 N2 . . 90.6(7) no
N3 Ni1 O12 N2 . . 3.8(10) no
O7 Ni1 O12 N2 4_565 . -107.5(7) no
O8 Ni1 O12 N2 . . 174.6(10) no
O11 Ni1 O12 N2 . . -2.5(7) no
O12 Ni1 O12 N2 4_565 . 173.7(6) no
Ni1 Ni1 O12 N1 4_565 4_565 177.7(5) no
O9' Ni1 O12 N1 4_565 4_565 -32.3(12) no
O8 Ni1 O12 N1 4_565 4_565 -3.4(10) no
O9' Ni1 O12 N1 . 4_565 -174.3(8) no
O7 Ni1 O12 N1 . 4_565 -89.6(7) no
O6 Ni1 O12 N1 . 4_565 94.5(6) no
N3 Ni1 O12 N1 . 4_565 7.7(9) no
O7 Ni1 O12 N1 4_565 4_565 -103.6(6) no
O8 Ni1 O12 N1 . 4_565 178.5(11) no
O11 Ni1 O12 N1 . 4_565 1.5(7) no
O12 Ni1 O12 N1 4_565 4_565 177.7(5) no
Ni1 Ni1 O12 N1' 4_565 4_565 176.0(10) no
O9' Ni1 O12 N1' 4_565 4_565 -33.9(16) no
O8 Ni1 O12 N1' 4_565 4_565 -5.1(14) no
O9' Ni1 O12 N1' . 4_565 -176.0(11) no
O7 Ni1 O12 N1' . 4_565 -91.3(11) no
O6 Ni1 O12 N1' . 4_565 92.9(10) no
N3 Ni1 O12 N1' . 4_565 6.0(12) no
O7 Ni1 O12 N1' 4_565 4_565 -105.3(10) no
O8 Ni1 O12 N1' . 4_565 176.9(13) no
O11 Ni1 O12 N1' . 4_565 -0.2(10) no
O12 Ni1 O12 N1' 4_565 4_565 176.0(10) no
O9' Ni1 O12 Ni1 4_565 4_565 150.1(13) no
O8 Ni1 O12 Ni1 4_565 4_565 178.9(10) no
O9' Ni1 O12 Ni1 . 4_565 8.0(5) no
O7 Ni1 O12 Ni1 . 4_565 92.7(3) no
O6 Ni1 O12 Ni1 . 4_565 -83.11(15) no
N3 Ni1 O12 Ni1 . 4_565 -170.0(6) no
O7 Ni1 O12 Ni1 4_565 4_565 78.7(2) no
O8 Ni1 O12 Ni1 . 4_565 0.9(8) no
O11 Ni1 O12 Ni1 . 4_565 -176.2(4) no
O12 Ni1 O12 Ni1 4_565 4_565 0.0 no
N1 N2 O13 O10' 4_565 4_565 -44(9) no
N1' N2 O13 O10' 4_565 4_565 -16(7) no
O9' N2 O13 O10' 4_565 4_565 -148(5) no
O9 N2 O13 O10' 4_565 4_565 162(6) no
O12 N2 O13 O10' . 4_565 172(5) no
O8 N2 O13 O10' 4_565 4_565 -23(6) no
O11 N2 O13 O10' . 4_565 -14(6) no
O10 N2 O13 O10' 4_565 4_565 -28(5) no
O8' N2 O13 O10' 4_565 4_565 6(6) no
N1 N2 O13 O10 4_565 4_565 -16(6) no
N1' N2 O13 O10 4_565 4_565 12(5) no
O9' N2 O13 O10 4_565 4_565 -119(5) no
O9 N2 O13 O10 4_565 4_565 -169(4) no
O10' N2 O13 O10 4_565 4_565 28(5) no
O12 N2 O13 O10 . 4_565 -160(4) no
O8 N2 O13 O10 4_565 4_565 5(5) no
O11 N2 O13 O10 . 4_565 15(4) no
O8' N2 O13 O10 4_565 4_565 34(4) no
N1' N2 O13 N1 4_565 4_565 28(8) no
O9' N2 O13 N1 4_565 4_565 -104(9) no
O9 N2 O13 N1 4_565 4_565 -154(8) no
O10' N2 O13 N1 4_565 4_565 44(9) no
O12 N2 O13 N1 . 4_565 -144(8) no
O8 N2 O13 N1 4_565 4_565 21(7) no
O11 N2 O13 N1 . 4_565 30(8) no
O10 N2 O13 N1 4_565 4_565 16(6) no
O8' N2 O13 N1 4_565 4_565 50(8) no
N1 N2 O13 N1' 4_565 4_565 -28(8) no
O9' N2 O13 N1' 4_565 4_565 -132(7) no
O9 N2 O13 N1' 4_565 4_565 178(5) no
O10' N2 O13 N1' 4_565 4_565 16(7) no
O12 N2 O13 N1' . 4_565 -172(5) no
O8 N2 O13 N1' 4_565 4_565 -7(3) no
O11 N2 O13 N1' . 4_565 2(3) no
O10 N2 O13 N1' 4_565 4_565 -12(5) no
O8' N2 O13 N1' 4_565 4_565 22(4) no
N1 N2 O13 O9 4_565 4_565 154(8) no
N1' N2 O13 O9 4_565 4_565 -178(5) no
O9' N2 O13 O9 4_565 4_565 50(4) no
O10' N2 O13 O9 4_565 4_565 -162(6) no
O12 N2 O13 O9 . 4_565 9.4(13) no
O8 N2 O13 O9 4_565 4_565 174(3) no
O11 N2 O13 O9 . 4_565 -176(2) no
O10 N2 O13 O9 4_565 4_565 169(4) no
O8' N2 O13 O9 4_565 4_565 -156.6(16) no
Ni1 Ni1 N3 C12 4_565 . -110.1(5) no
O9' Ni1 N3 C12 4_565 . 79.5(9) no
O8 Ni1 N3 C12 4_565 . 70.8(10) no
O9' Ni1 N3 C12 . . -116.4(7) no
O7 Ni1 N3 C12 . . 157.6(5) no
O6 Ni1 N3 C12 . . -25.6(5) no
O7 Ni1 N3 C12 4_565 . 173.9(5) no
O8 Ni1 N3 C12 . . -110.8(8) no
O11 Ni1 N3 C12 . . 66.8(6) no
O12 Ni1 N3 C12 . . 61.4(8) no
O12 Ni1 N3 C12 4_565 . -105.3(5) no
O9' Ni1 N3 Ni1 4_565 4_565 -170.4(8) no
O8 Ni1 N3 Ni1 4_565 4_565 -179.1(8) no
O9' Ni1 N3 Ni1 . 4_565 -6.3(6) no
O7 Ni1 N3 Ni1 . 4_565 -92.3(2) no
O6 Ni1 N3 Ni1 . 4_565 84.49(9) no
O7 Ni1 N3 Ni1 4_565 4_565 -76.1(2) no
O8 Ni1 N3 Ni1 . 4_565 -0.7(7) no
O11 Ni1 N3 Ni1 . 4_565 176.9(3) no
O12 Ni1 N3 Ni1 . 4_565 171.4(5) no
O12 Ni1 N3 Ni1 4_565 4_565 4.8(3) no
