#------------------------------------------------------------------------------
#$Date: 2020-05-04 05:25:00 +0300 (Mon, 04 May 2020) $
#$Revision: 251429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/75/4517560.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4517560
loop_
_publ_author_name
'Spektor, Kristina'
'Crichton, Wilson A.'
'Filippov, Stanislav'
'Klarbring, Johan'
'Simak, Sergei I.'
'Fischer, Andreas'
'Häussermann, Ulrich'
_publ_section_title
;
 Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido
 Complexes [NiH₅]³⁻Versus the Perovskite
 NaNiH₃.
;
_journal_issue                   15
_journal_name_full               'ACS omega'
_journal_page_first              8730
_journal_page_last               8743
_journal_paper_doi               10.1021/acsomega.0c00239
_journal_volume                  5
_journal_year                    2020
_chemical_formula_sum            'H5 Na3 Ni'
_chemical_formula_weight         132.7
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.16905(16)
_cell_length_b                   7.16905(16)
_cell_length_c                   7.16905(16)
_cell_measurement_temperature    638
_cell_volume                     368.455(14)
_diffrn_ambient_temperature      638
_diffrn_measurement_device_type
'DT X-Scan series1 linear pixilated detector at ID06-LVP, ESRF'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.22542
_exptl_absorpt_coefficient_mu    0.228
_exptl_crystal_density_diffrn    2.3922
_exptl_crystal_F_000             264
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.005
_pd_meas_2theta_range_max        10.649
_pd_meas_2theta_range_min        2.181
_pd_meas_number_of_points        1742
_pd_proc_2theta_range_inc        0.005
_pd_proc_2theta_range_max        10.026
_pd_proc_2theta_range_min        2.361
_pd_proc_ls_background_function  'Manual background'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.1029
_pd_proc_ls_prof_wR_expected     0.0354
_pd_proc_ls_prof_wR_factor       0.1506
_refine_diff_density_max         9.10
_refine_diff_density_min         -1.75
_refine_ls_goodness_of_fit_all   4.26
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_constraints    1
_refine_ls_number_parameters     15
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0641
_refine_ls_R_factor_gt           0.0641
_refine_ls_shift/su_max          0.0311
_refine_ls_shift/su_mean         0.0064
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0836
_refine_ls_wR_factor_gt          0.0836
_cod_data_source_file            ao0c00239_si_003.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 4517557--4517561.cif.
;
_cod_original_cell_volume        368.456(15)
_cod_original_formula_sum        'H5 Na3 Ni1'
_cod_database_code               4517560
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -x,y,-z
4 x,-y,-z
5 z,x,y
6 z,-x,-y
7 -z,-x,y
8 -z,x,-y
9 y,z,x
10 -y,z,-x
11 y,-z,-x
12 -y,-z,x
13 y,x,-z
14 -y,-x,-z
15 y,-x,z
16 -y,x,z
17 x,z,-y
18 -x,z,y
19 -x,-z,-y
20 x,-z,y
21 z,y,-x
22 z,-y,x
23 -z,y,x
24 -z,-y,-x
25 -x,-y,-z
26 x,y,-z
27 x,-y,z
28 -x,y,z
29 -z,-x,-y
30 -z,x,y
31 z,x,-y
32 z,-x,y
33 -y,-z,-x
34 y,-z,x
35 -y,z,x
36 y,z,-x
37 -y,-x,z
38 y,x,z
39 -y,x,-z
40 y,-x,-z
41 -x,-z,y
42 x,-z,-y
43 x,z,y
44 -x,z,-y
45 -z,-y,x
46 -z,y,-x
47 z,-y,-x
48 z,y,x
49 x,y+1/2,z+1/2
50 -x,-y+1/2,z+1/2
51 -x,y+1/2,-z+1/2
52 x,-y+1/2,-z+1/2
53 z,x+1/2,y+1/2
54 z,-x+1/2,-y+1/2
55 -z,-x+1/2,y+1/2
56 -z,x+1/2,-y+1/2
57 y,z+1/2,x+1/2
58 -y,z+1/2,-x+1/2
59 y,-z+1/2,-x+1/2
60 -y,-z+1/2,x+1/2
61 y,x+1/2,-z+1/2
62 -y,-x+1/2,-z+1/2
63 y,-x+1/2,z+1/2
64 -y,x+1/2,z+1/2
65 x,z+1/2,-y+1/2
66 -x,z+1/2,y+1/2
67 -x,-z+1/2,-y+1/2
68 x,-z+1/2,y+1/2
69 z,y+1/2,-x+1/2
70 z,-y+1/2,x+1/2
71 -z,y+1/2,x+1/2
72 -z,-y+1/2,-x+1/2
73 -x,-y+1/2,-z+1/2
74 x,y+1/2,-z+1/2
75 x,-y+1/2,z+1/2
76 -x,y+1/2,z+1/2
77 -z,-x+1/2,-y+1/2
78 -z,x+1/2,y+1/2
79 z,x+1/2,-y+1/2
80 z,-x+1/2,y+1/2
81 -y,-z+1/2,-x+1/2
82 y,-z+1/2,x+1/2
83 -y,z+1/2,x+1/2
84 y,z+1/2,-x+1/2
85 -y,-x+1/2,z+1/2
86 y,x+1/2,z+1/2
87 -y,x+1/2,-z+1/2
88 y,-x+1/2,-z+1/2
89 -x,-z+1/2,y+1/2
90 x,-z+1/2,-y+1/2
91 x,z+1/2,y+1/2
92 -x,z+1/2,-y+1/2
93 -z,-y+1/2,x+1/2
94 -z,y+1/2,-x+1/2
95 z,-y+1/2,-x+1/2
96 z,y+1/2,x+1/2
97 x+1/2,y,z+1/2
98 -x+1/2,-y,z+1/2
99 -x+1/2,y,-z+1/2
100 x+1/2,-y,-z+1/2
101 z+1/2,x,y+1/2
102 z+1/2,-x,-y+1/2
103 -z+1/2,-x,y+1/2
104 -z+1/2,x,-y+1/2
105 y+1/2,z,x+1/2
106 -y+1/2,z,-x+1/2
107 y+1/2,-z,-x+1/2
108 -y+1/2,-z,x+1/2
109 y+1/2,x,-z+1/2
110 -y+1/2,-x,-z+1/2
111 y+1/2,-x,z+1/2
112 -y+1/2,x,z+1/2
113 x+1/2,z,-y+1/2
114 -x+1/2,z,y+1/2
115 -x+1/2,-z,-y+1/2
116 x+1/2,-z,y+1/2
117 z+1/2,y,-x+1/2
118 z+1/2,-y,x+1/2
119 -z+1/2,y,x+1/2
120 -z+1/2,-y,-x+1/2
121 -x+1/2,-y,-z+1/2
122 x+1/2,y,-z+1/2
123 x+1/2,-y,z+1/2
124 -x+1/2,y,z+1/2
125 -z+1/2,-x,-y+1/2
126 -z+1/2,x,y+1/2
127 z+1/2,x,-y+1/2
128 z+1/2,-x,y+1/2
129 -y+1/2,-z,-x+1/2
130 y+1/2,-z,x+1/2
131 -y+1/2,z,x+1/2
132 y+1/2,z,-x+1/2
133 -y+1/2,-x,z+1/2
134 y+1/2,x,z+1/2
135 -y+1/2,x,-z+1/2
136 y+1/2,-x,-z+1/2
137 -x+1/2,-z,y+1/2
138 x+1/2,-z,-y+1/2
139 x+1/2,z,y+1/2
140 -x+1/2,z,-y+1/2
141 -z+1/2,-y,x+1/2
142 -z+1/2,y,-x+1/2
143 z+1/2,-y,-x+1/2
144 z+1/2,y,x+1/2
145 x+1/2,y+1/2,z
146 -x+1/2,-y+1/2,z
147 -x+1/2,y+1/2,-z
148 x+1/2,-y+1/2,-z
149 z+1/2,x+1/2,y
150 z+1/2,-x+1/2,-y
151 -z+1/2,-x+1/2,y
152 -z+1/2,x+1/2,-y
153 y+1/2,z+1/2,x
154 -y+1/2,z+1/2,-x
155 y+1/2,-z+1/2,-x
156 -y+1/2,-z+1/2,x
157 y+1/2,x+1/2,-z
158 -y+1/2,-x+1/2,-z
159 y+1/2,-x+1/2,z
160 -y+1/2,x+1/2,z
161 x+1/2,z+1/2,-y
162 -x+1/2,z+1/2,y
163 -x+1/2,-z+1/2,-y
164 x+1/2,-z+1/2,y
165 z+1/2,y+1/2,-x
166 z+1/2,-y+1/2,x
167 -z+1/2,y+1/2,x
168 -z+1/2,-y+1/2,-x
169 -x+1/2,-y+1/2,-z
170 x+1/2,y+1/2,-z
171 x+1/2,-y+1/2,z
172 -x+1/2,y+1/2,z
173 -z+1/2,-x+1/2,-y
174 -z+1/2,x+1/2,y
175 z+1/2,x+1/2,-y
176 z+1/2,-x+1/2,y
177 -y+1/2,-z+1/2,-x
178 y+1/2,-z+1/2,x
179 -y+1/2,z+1/2,x
180 y+1/2,z+1/2,-x
181 -y+1/2,-x+1/2,z
182 y+1/2,x+1/2,z
183 -y+1/2,x+1/2,-z
184 y+1/2,-x+1/2,-z
185 -x+1/2,-z+1/2,y
186 x+1/2,-z+1/2,-y
187 x+1/2,z+1/2,y
188 -x+1/2,z+1/2,-y
189 -z+1/2,-y+1/2,x
190 -z+1/2,y+1/2,-x
191 z+1/2,-y+1/2,-x
192 z+1/2,y+1/2,x
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_site_symmetry_multiplicity
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Na1 Na 0.25 0.25 0.25 Uiso 0.054(3) 8 1 d . . .
Na2 Na 0.5 0.5 0.5 Uiso 0.054(3) 4 1 d . . .
Ni1 Ni 0 0 0 Uiso 0.0118(19) 4 1 d . . .
H1 H 0.15 0.15 0 Uiso 0.038 48 0.4167 d . . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H 0.0000 0.0000 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Na -0.0023 0.0021 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Ni 0.0686 0.1261 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
? ? ? ?
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_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Na1 Na1 Na1 13_555 . 13_556 180.0(5) ?
Na1 Na1 Na1 13_555 . 61_545 90 ?
Na1 Na1 Na1 13_555 . 61_555 90 ?
Na1 Na1 Na1 13_555 . 109_455 90 ?
Na1 Na1 Na1 13_555 . 109_555 90 ?
Na1 Na1 Na2 13_555 . . 125.2644(8) ?
Na1 Na1 Na2 13_555 . 49_544 54.7356(8) ?
Na1 Na1 Na2 13_555 . 97_454 54.7356(8) ?
Na1 Na1 Na2 13_555 . 145_445 125.2644(8) ?
Na1 Na1 Ni1 13_555 . . 54.7356(8) ?
Na1 Na1 Ni1 13_555 . 49_555 125.2644(8) ?
Na1 Na1 Ni1 13_555 . 97_555 125.2644(8) ?
Na1 Na1 Ni1 13_555 . 145_555 54.7356(8) ?
Na1 Na1 H1 13_555 . . 29.4962 ?
Na1 Na1 H1 13_555 . 146_555 29.4962 ?
Na1 Na1 H1 13_555 . 99_555 150.5038 ?
Na1 Na1 H1 13_555 . 52_555 150.5038 ?
Na1 Na1 H1 13_555 . 5_555 69.6255 ?
Na1 Na1 H1 13_555 . 54_555 110.3745 ?
Na1 Na1 H1 13_555 . 151_555 69.6255 ?
Na1 Na1 H1 13_555 . 104_555 110.3745 ?
Na1 Na1 H1 13_555 . 9_555 69.6255 ?
Na1 Na1 H1 13_555 . 106_555 110.3745 ?
Na1 Na1 H1 13_555 . 59_555 110.3745 ?
Na1 Na1 H1 13_555 . 156_555 69.6255 ?
Na1 Na1 Na1 13_556 . 61_545 90 ?
Na1 Na1 Na1 13_556 . 61_555 90 ?
Na1 Na1 Na1 13_556 . 109_455 90 ?
Na1 Na1 Na1 13_556 . 109_555 90 ?
Na1 Na1 Na2 13_556 . . 54.7356(8) ?
Na1 Na1 Na2 13_556 . 49_544 125.2644(8) ?
Na1 Na1 Na2 13_556 . 97_454 125.2644(8) ?
Na1 Na1 Na2 13_556 . 145_445 54.7356(8) ?
Na1 Na1 Ni1 13_556 . . 125.2644(8) ?
Na1 Na1 Ni1 13_556 . 49_555 54.7356(8) ?
Na1 Na1 Ni1 13_556 . 97_555 54.7356(8) ?
Na1 Na1 Ni1 13_556 . 145_555 125.2644(8) ?
Na1 Na1 H1 13_556 . . 150.5038 ?
Na1 Na1 H1 13_556 . 146_555 150.5038 ?
Na1 Na1 H1 13_556 . 99_555 29.4962 ?
Na1 Na1 H1 13_556 . 52_555 29.4962 ?
Na1 Na1 H1 13_556 . 5_555 110.3745 ?
Na1 Na1 H1 13_556 . 54_555 69.6255 ?
Na1 Na1 H1 13_556 . 151_555 110.3745 ?
Na1 Na1 H1 13_556 . 104_555 69.6255 ?
Na1 Na1 H1 13_556 . 9_555 110.3745 ?
Na1 Na1 H1 13_556 . 106_555 69.6255 ?
Na1 Na1 H1 13_556 . 59_555 69.6255 ?
Na1 Na1 H1 13_556 . 156_555 110.3745 ?
Na1 Na1 Na1 61_545 . 61_555 180.0(5) ?
Na1 Na1 Na1 61_545 . 109_455 90 ?
Na1 Na1 Na1 61_545 . 109_555 90 ?
Na1 Na1 Na2 61_545 . . 125.2644(8) ?
Na1 Na1 Na2 61_545 . 49_544 54.7356(8) ?
Na1 Na1 Na2 61_545 . 97_454 125.2644(8) ?
Na1 Na1 Na2 61_545 . 145_445 54.7356(8) ?
Na1 Na1 Ni1 61_545 . . 54.7356(8) ?
Na1 Na1 Ni1 61_545 . 49_555 125.2644(8) ?
Na1 Na1 Ni1 61_545 . 97_555 54.7356(8) ?
Na1 Na1 Ni1 61_545 . 145_555 125.2644(8) ?
Na1 Na1 H1 61_545 . . 69.6255 ?
Na1 Na1 H1 61_545 . 146_555 110.3745 ?
Na1 Na1 H1 61_545 . 99_555 69.6255 ?
Na1 Na1 H1 61_545 . 52_555 110.3745 ?
Na1 Na1 H1 61_545 . 5_555 69.6255 ?
Na1 Na1 H1 61_545 . 54_555 110.3745 ?
Na1 Na1 H1 61_545 . 151_555 110.3745 ?
Na1 Na1 H1 61_545 . 104_555 69.6255 ?
Na1 Na1 H1 61_545 . 9_555 29.4962 ?
Na1 Na1 H1 61_545 . 106_555 29.4962 ?
Na1 Na1 H1 61_545 . 59_555 150.5038 ?
Na1 Na1 H1 61_545 . 156_555 150.5038 ?
Na1 Na1 Na1 61_555 . 109_455 90 ?
Na1 Na1 Na1 61_555 . 109_555 90 ?
Na1 Na1 Na2 61_555 . . 54.7356(8) ?
Na1 Na1 Na2 61_555 . 49_544 125.2644(8) ?
Na1 Na1 Na2 61_555 . 97_454 54.7356(8) ?
Na1 Na1 Na2 61_555 . 145_445 125.2644(8) ?
Na1 Na1 Ni1 61_555 . . 125.2644(8) ?
Na1 Na1 Ni1 61_555 . 49_555 54.7356(8) ?
Na1 Na1 Ni1 61_555 . 97_555 125.2644(8) ?
Na1 Na1 Ni1 61_555 . 145_555 54.7356(8) ?
Na1 Na1 H1 61_555 . . 110.3745 ?
Na1 Na1 H1 61_555 . 146_555 69.6255 ?
Na1 Na1 H1 61_555 . 99_555 110.3745 ?
Na1 Na1 H1 61_555 . 52_555 69.6255 ?
Na1 Na1 H1 61_555 . 5_555 110.3745 ?
Na1 Na1 H1 61_555 . 54_555 69.6255 ?
Na1 Na1 H1 61_555 . 151_555 69.6255 ?
Na1 Na1 H1 61_555 . 104_555 110.3745 ?
Na1 Na1 H1 61_555 . 9_555 150.5038 ?
Na1 Na1 H1 61_555 . 106_555 150.5038 ?
Na1 Na1 H1 61_555 . 59_555 29.4962 ?
Na1 Na1 H1 61_555 . 156_555 29.4962 ?
Na1 Na1 Na1 109_455 . 109_555 180.0(5) ?
Na1 Na1 Na2 109_455 . . 125.2644(8) ?
Na1 Na1 Na2 109_455 . 49_544 125.2644(8) ?
Na1 Na1 Na2 109_455 . 97_454 54.7356(8) ?
Na1 Na1 Na2 109_455 . 145_445 54.7356(8) ?
Na1 Na1 Ni1 109_455 . . 54.7356(8) ?
Na1 Na1 Ni1 109_455 . 49_555 54.7356(8) ?
Na1 Na1 Ni1 109_455 . 97_555 125.2644(8) ?
Na1 Na1 Ni1 109_455 . 145_555 125.2644(8) ?
Na1 Na1 H1 109_455 . . 69.6255 ?
Na1 Na1 H1 109_455 . 146_555 110.3745 ?
Na1 Na1 H1 109_455 . 99_555 110.3745 ?
Na1 Na1 H1 109_455 . 52_555 69.6255 ?
Na1 Na1 H1 109_455 . 5_555 29.4962 ?
Na1 Na1 H1 109_455 . 54_555 29.4962 ?
Na1 Na1 H1 109_455 . 151_555 150.5038 ?
Na1 Na1 H1 109_455 . 104_555 150.5038 ?
Na1 Na1 H1 109_455 . 9_555 69.6255 ?
Na1 Na1 H1 109_455 . 106_555 110.3745 ?
Na1 Na1 H1 109_455 . 59_555 69.6255 ?
Na1 Na1 H1 109_455 . 156_555 110.3745 ?
Na1 Na1 Na2 109_555 . . 54.7356(8) ?
Na1 Na1 Na2 109_555 . 49_544 54.7356(8) ?
Na1 Na1 Na2 109_555 . 97_454 125.2644(8) ?
Na1 Na1 Na2 109_555 . 145_445 125.2644(8) ?
Na1 Na1 Ni1 109_555 . . 125.2644(8) ?
Na1 Na1 Ni1 109_555 . 49_555 125.2644(8) ?
Na1 Na1 Ni1 109_555 . 97_555 54.7356(8) ?
Na1 Na1 Ni1 109_555 . 145_555 54.7356(8) ?
Na1 Na1 H1 109_555 . . 110.3745 ?
Na1 Na1 H1 109_555 . 146_555 69.6255 ?
Na1 Na1 H1 109_555 . 99_555 69.6255 ?
Na1 Na1 H1 109_555 . 52_555 110.3745 ?
Na1 Na1 H1 109_555 . 5_555 150.5038 ?
Na1 Na1 H1 109_555 . 54_555 150.5038 ?
Na1 Na1 H1 109_555 . 151_555 29.4962 ?
Na1 Na1 H1 109_555 . 104_555 29.4962 ?
Na1 Na1 H1 109_555 . 9_555 110.3745 ?
Na1 Na1 H1 109_555 . 106_555 69.6255 ?
Na1 Na1 H1 109_555 . 59_555 110.3745 ?
Na1 Na1 H1 109_555 . 156_555 69.6255 ?
Na2 Na1 Na2 . . 49_544 109.4712(15) ?
Na2 Na1 Na2 . . 97_454 109.4712(15) ?
Na2 Na1 Na2 . . 145_445 109.4712(15) ?
Na2 Na1 Ni1 . . . 180.0(5) ?
Na2 Na1 Ni1 . . 49_555 70.5288(15) ?
Na2 Na1 Ni1 . . 97_555 70.5288(15) ?
Na2 Na1 Ni1 . . 145_555 70.5288(15) ?
Na2 Na1 H1 . . . 154.76 ?
Na2 Na1 H1 . . 146_555 95.7682 ?
Na2 Na1 H1 . . 99_555 59.8332 ?
Na2 Na1 H1 . . 52_555 59.8332 ?
Na2 Na1 H1 . . 5_555 154.76 ?
Na2 Na1 H1 . . 54_555 95.7682 ?
Na2 Na1 H1 . . 151_555 59.8332 ?
Na2 Na1 H1 . . 104_555 59.8332 ?
Na2 Na1 H1 . . 9_555 154.76 ?
Na2 Na1 H1 . . 106_555 95.7682 ?
Na2 Na1 H1 . . 59_555 59.8332 ?
Na2 Na1 H1 . . 156_555 59.8332 ?
Na2 Na1 Na2 49_544 . 97_454 109.4712(15) ?
Na2 Na1 Na2 49_544 . 145_445 109.4712(15) ?
Na2 Na1 Ni1 49_544 . . 70.5288(15) ?
Na2 Na1 Ni1 49_544 . 49_555 180.0(5) ?
Na2 Na1 Ni1 49_544 . 97_555 70.5288(15) ?
Na2 Na1 Ni1 49_544 . 145_555 70.5288(15) ?
Na2 Na1 H1 49_544 . . 59.8332 ?
Na2 Na1 H1 49_544 . 146_555 59.8332 ?
Na2 Na1 H1 49_544 . 99_555 95.7682 ?
Na2 Na1 H1 49_544 . 52_555 154.76 ?
Na2 Na1 H1 49_544 . 5_555 95.7682 ?
Na2 Na1 H1 49_544 . 54_555 154.76 ?
Na2 Na1 H1 49_544 . 151_555 59.8332 ?
Na2 Na1 H1 49_544 . 104_555 59.8332 ?
Na2 Na1 H1 49_544 . 9_555 59.8332 ?
Na2 Na1 H1 49_544 . 106_555 59.8332 ?
Na2 Na1 H1 49_544 . 59_555 154.76 ?
Na2 Na1 H1 49_544 . 156_555 95.7682 ?
Na2 Na1 Na2 97_454 . 145_445 109.4712(15) ?
Na2 Na1 Ni1 97_454 . . 70.5288(15) ?
Na2 Na1 Ni1 97_454 . 49_555 70.5288(15) ?
Na2 Na1 Ni1 97_454 . 97_555 180.0(5) ?
Na2 Na1 Ni1 97_454 . 145_555 70.5288(15) ?
Na2 Na1 H1 97_454 . . 59.8332 ?
Na2 Na1 H1 97_454 . 146_555 59.8332 ?
Na2 Na1 H1 97_454 . 99_555 154.76 ?
Na2 Na1 H1 97_454 . 52_555 95.7682 ?
Na2 Na1 H1 97_454 . 5_555 59.8332 ?
Na2 Na1 H1 97_454 . 54_555 59.8332 ?
Na2 Na1 H1 97_454 . 151_555 95.7682 ?
Na2 Na1 H1 97_454 . 104_555 154.76 ?
Na2 Na1 H1 97_454 . 9_555 95.7682 ?
Na2 Na1 H1 97_454 . 106_555 154.76 ?
Na2 Na1 H1 97_454 . 59_555 59.8332 ?
Na2 Na1 H1 97_454 . 156_555 59.8332 ?
Na2 Na1 Ni1 145_445 . . 70.5288(15) ?
Na2 Na1 Ni1 145_445 . 49_555 70.5288(15) ?
Na2 Na1 Ni1 145_445 . 97_555 70.5288(15) ?
Na2 Na1 Ni1 145_445 . 145_555 180.0(5) ?
Na2 Na1 H1 145_445 . . 95.7682 ?
Na2 Na1 H1 145_445 . 146_555 154.76 ?
Na2 Na1 H1 145_445 . 99_555 59.8332 ?
Na2 Na1 H1 145_445 . 52_555 59.8332 ?
Na2 Na1 H1 145_445 . 5_555 59.8332 ?
Na2 Na1 H1 145_445 . 54_555 59.8332 ?
Na2 Na1 H1 145_445 . 151_555 154.76 ?
Na2 Na1 H1 145_445 . 104_555 95.7682 ?
Na2 Na1 H1 145_445 . 9_555 59.8332 ?
Na2 Na1 H1 145_445 . 106_555 59.8332 ?
Na2 Na1 H1 145_445 . 59_555 95.7682 ?
Na2 Na1 H1 145_445 . 156_555 154.76 ?
Ni1 Na1 Ni1 . . 49_555 109.4712(15) ?
Ni1 Na1 Ni1 . . 97_555 109.4712(15) ?
Ni1 Na1 Ni1 . . 145_555 109.4712(15) ?
Ni1 Na1 H1 . . . 25.24 ?
Ni1 Na1 H1 . . 146_555 84.2318 ?
Ni1 Na1 H1 . . 99_555 120.1668 ?
Ni1 Na1 H1 . . 52_555 120.1668 ?
Ni1 Na1 H1 . . 5_555 25.24 ?
Ni1 Na1 H1 . . 54_555 84.2318 ?
Ni1 Na1 H1 . . 151_555 120.1668 ?
Ni1 Na1 H1 . . 104_555 120.1668 ?
Ni1 Na1 H1 . . 9_555 25.24 ?
Ni1 Na1 H1 . . 106_555 84.2318 ?
Ni1 Na1 H1 . . 59_555 120.1668 ?
Ni1 Na1 H1 . . 156_555 120.1668 ?
Ni1 Na1 Ni1 49_555 . 97_555 109.4712(15) ?
Ni1 Na1 Ni1 49_555 . 145_555 109.4712(15) ?
Ni1 Na1 H1 49_555 . . 120.1668 ?
Ni1 Na1 H1 49_555 . 146_555 120.1668 ?
Ni1 Na1 H1 49_555 . 99_555 84.2318 ?
Ni1 Na1 H1 49_555 . 52_555 25.24 ?
Ni1 Na1 H1 49_555 . 5_555 84.2318 ?
Ni1 Na1 H1 49_555 . 54_555 25.24 ?
Ni1 Na1 H1 49_555 . 151_555 120.1668 ?
Ni1 Na1 H1 49_555 . 104_555 120.1668 ?
Ni1 Na1 H1 49_555 . 9_555 120.1668 ?
Ni1 Na1 H1 49_555 . 106_555 120.1668 ?
Ni1 Na1 H1 49_555 . 59_555 25.24 ?
Ni1 Na1 H1 49_555 . 156_555 84.2318 ?
Ni1 Na1 Ni1 97_555 . 145_555 109.4712(15) ?
Ni1 Na1 H1 97_555 . . 120.1668 ?
Ni1 Na1 H1 97_555 . 146_555 120.1668 ?
Ni1 Na1 H1 97_555 . 99_555 25.24 ?
Ni1 Na1 H1 97_555 . 52_555 84.2318 ?
Ni1 Na1 H1 97_555 . 5_555 120.1668 ?
Ni1 Na1 H1 97_555 . 54_555 120.1668 ?
Ni1 Na1 H1 97_555 . 151_555 84.2318 ?
Ni1 Na1 H1 97_555 . 104_555 25.24 ?
Ni1 Na1 H1 97_555 . 9_555 84.2318 ?
Ni1 Na1 H1 97_555 . 106_555 25.24 ?
Ni1 Na1 H1 97_555 . 59_555 120.1668 ?
Ni1 Na1 H1 97_555 . 156_555 120.1668 ?
Ni1 Na1 H1 145_555 . . 84.2318 ?
Ni1 Na1 H1 145_555 . 146_555 25.24 ?
Ni1 Na1 H1 145_555 . 99_555 120.1668 ?
Ni1 Na1 H1 145_555 . 52_555 120.1668 ?
Ni1 Na1 H1 145_555 . 5_555 120.1668 ?
Ni1 Na1 H1 145_555 . 54_555 120.1668 ?
Ni1 Na1 H1 145_555 . 151_555 25.24 ?
Ni1 Na1 H1 145_555 . 104_555 84.2318 ?
Ni1 Na1 H1 145_555 . 9_555 120.1668 ?
Ni1 Na1 H1 145_555 . 106_555 120.1668 ?
Ni1 Na1 H1 145_555 . 59_555 84.2318 ?
Ni1 Na1 H1 145_555 . 156_555 25.24 ?
H1 Na1 H1 . . 146_555 58.9924 ?
H1 Na1 H1 . . 99_555 139.2509 ?
H1 Na1 H1 . . 52_555 139.2509 ?
H1 Na1 H1 . . 5_555 43.34176 ?
H1 Na1 H1 . . 54_555 96.9621 ?
H1 Na1 H1 . . 151_555 96.9621 ?
H1 Na1 H1 . . 104_555 119.0025 ?
H1 Na1 H1 . . 9_555 43.34176 ?
H1 Na1 H1 . . 106_555 96.9621 ?
H1 Na1 H1 . . 59_555 119.0025 ?
H1 Na1 H1 . . 156_555 96.9621 ?
H1 Na1 H1 146_555 . 99_555 139.2509 ?
H1 Na1 H1 146_555 . 52_555 139.2509 ?
H1 Na1 H1 146_555 . 5_555 96.9621 ?
H1 Na1 H1 146_555 . 54_555 119.0025 ?
H1 Na1 H1 146_555 . 151_555 43.34176 ?
H1 Na1 H1 146_555 . 104_555 96.9621 ?
H1 Na1 H1 146_555 . 9_555 96.9621 ?
H1 Na1 H1 146_555 . 106_555 119.0025 ?
H1 Na1 H1 146_555 . 59_555 96.9621 ?
H1 Na1 H1 146_555 . 156_555 43.34176 ?
H1 Na1 H1 99_555 . 52_555 58.9924 ?
H1 Na1 H1 99_555 . 5_555 119.0025 ?
H1 Na1 H1 99_555 . 54_555 96.9621 ?
H1 Na1 H1 99_555 . 151_555 96.9621 ?
H1 Na1 H1 99_555 . 104_555 43.34176 ?
H1 Na1 H1 99_555 . 9_555 96.9621 ?
H1 Na1 H1 99_555 . 106_555 43.34176 ?
H1 Na1 H1 99_555 . 59_555 96.9621 ?
H1 Na1 H1 99_555 . 156_555 119.0025 ?
H1 Na1 H1 52_555 . 5_555 96.9621 ?
H1 Na1 H1 52_555 . 54_555 43.34176 ?
H1 Na1 H1 52_555 . 151_555 119.0025 ?
H1 Na1 H1 52_555 . 104_555 96.9621 ?
H1 Na1 H1 52_555 . 9_555 119.0025 ?
H1 Na1 H1 52_555 . 106_555 96.9621 ?
H1 Na1 H1 52_555 . 59_555 43.34176 ?
H1 Na1 H1 52_555 . 156_555 96.9621 ?
H1 Na1 H1 5_555 . 54_555 58.9924 ?
H1 Na1 H1 5_555 . 151_555 139.2509 ?
H1 Na1 H1 5_555 . 104_555 139.2509 ?
H1 Na1 H1 5_555 . 9_555 43.34176 ?
H1 Na1 H1 5_555 . 106_555 96.9621 ?
H1 Na1 H1 5_555 . 59_555 96.9621 ?
H1 Na1 H1 5_555 . 156_555 119.0025 ?
H1 Na1 H1 54_555 . 151_555 139.2509 ?
H1 Na1 H1 54_555 . 104_555 139.2509 ?
H1 Na1 H1 54_555 . 9_555 96.9621 ?
H1 Na1 H1 54_555 . 106_555 119.0025 ?
H1 Na1 H1 54_555 . 59_555 43.34176 ?
H1 Na1 H1 54_555 . 156_555 96.9621 ?
H1 Na1 H1 151_555 . 104_555 58.9924 ?
H1 Na1 H1 151_555 . 9_555 119.0025 ?
H1 Na1 H1 151_555 . 106_555 96.9621 ?
H1 Na1 H1 151_555 . 59_555 96.9621 ?
H1 Na1 H1 151_555 . 156_555 43.34176 ?
H1 Na1 H1 104_555 . 9_555 96.9621 ?
H1 Na1 H1 104_555 . 106_555 43.34176 ?
H1 Na1 H1 104_555 . 59_555 119.0025 ?
H1 Na1 H1 104_555 . 156_555 96.9621 ?
H1 Na1 H1 9_555 . 106_555 58.9924 ?
H1 Na1 H1 9_555 . 59_555 139.2509 ?
H1 Na1 H1 9_555 . 156_555 139.2509 ?
H1 Na1 H1 106_555 . 59_555 139.2509 ?
H1 Na1 H1 106_555 . 156_555 139.2509 ?
H1 Na1 H1 59_555 . 156_555 58.9924 ?
Na1 Na2 Na1 . . 49_555 109.4712(15) ?
Na1 Na2 Na1 . . 97_555 109.4712(15) ?
Na1 Na2 Na1 . . 145_555 109.4712(15) ?
Na1 Na2 Na1 . . 13_556 70.5288(15) ?
Na1 Na2 Na1 . . 61_555 70.5288(15) ?
Na1 Na2 Na1 . . 109_555 70.5288(15) ?
Na1 Na2 Na1 . . 157_556 180.0(5) ?
Na1 Na2 Na1 49_555 . 97_555 109.4712(15) ?
Na1 Na2 Na1 49_555 . 145_555 109.4712(15) ?
Na1 Na2 Na1 49_555 . 13_556 70.5288(15) ?
Na1 Na2 Na1 49_555 . 61_555 70.5288(15) ?
Na1 Na2 Na1 49_555 . 109_555 180.0(5) ?
Na1 Na2 Na1 49_555 . 157_556 70.5288(15) ?
Na1 Na2 Na1 97_555 . 145_555 109.4712(15) ?
Na1 Na2 Na1 97_555 . 13_556 70.5288(15) ?
Na1 Na2 Na1 97_555 . 61_555 180.0(5) ?
Na1 Na2 Na1 97_555 . 109_555 70.5288(15) ?
Na1 Na2 Na1 97_555 . 157_556 70.5288(15) ?
Na1 Na2 Na1 145_555 . 13_556 180.0(5) ?
Na1 Na2 Na1 145_555 . 61_555 70.5288(15) ?
Na1 Na2 Na1 145_555 . 109_555 70.5288(15) ?
Na1 Na2 Na1 145_555 . 157_556 70.5288(15) ?
Na1 Na2 Na1 13_556 . 61_555 109.4712(15) ?
Na1 Na2 Na1 13_556 . 109_555 109.4712(15) ?
Na1 Na2 Na1 13_556 . 157_556 109.4712(15) ?
Na1 Na2 Na1 61_555 . 109_555 109.4712(15) ?
Na1 Na2 Na1 61_555 . 157_556 109.4712(15) ?
Na1 Na2 Na1 109_555 . 157_556 109.4712(15) ?
Na1 Ni1 Na1 . . 49_544 109.4712(15) ?
Na1 Ni1 Na1 . . 97_454 109.4712(15) ?
Na1 Ni1 Na1 . . 145_445 109.4712(15) ?
Na1 Ni1 Na1 . . 13_555 70.5288(15) ?
Na1 Ni1 Na1 . . 61_545 70.5288(15) ?
Na1 Ni1 Na1 . . 109_455 70.5288(15) ?
Na1 Ni1 Na1 . . 157_445 180.0(5) ?
Na1 Ni1 H1 . . . 35.2644 ?
Na1 Ni1 H1 . . 2_555 144.7356 ?
Na1 Ni1 H1 . . 3_555 90.0000 ?
Na1 Ni1 H1 . . 4_555 90.0000 ?
Na1 Ni1 H1 . . 5_555 35.2644 ?
Na1 Ni1 H1 . . 6_555 144.7356 ?
Na1 Ni1 H1 . . 7_555 90.0000 ?
Na1 Ni1 H1 . . 8_555 90.0000 ?
Na1 Ni1 H1 . . 9_555 35.2644 ?
Na1 Ni1 H1 . . 10_555 144.7356 ?
Na1 Ni1 H1 . . 11_555 90.0000 ?
Na1 Ni1 H1 . . 12_555 90.0000 ?
Na1 Ni1 Na1 49_544 . 97_454 109.4712(15) ?
Na1 Ni1 Na1 49_544 . 145_445 109.4712(15) ?
Na1 Ni1 Na1 49_544 . 13_555 70.5288(15) ?
Na1 Ni1 Na1 49_544 . 61_545 70.5288(15) ?
Na1 Ni1 Na1 49_544 . 109_455 180.0(5) ?
Na1 Ni1 Na1 49_544 . 157_445 70.5288(15) ?
Na1 Ni1 H1 49_544 . . 90.0000 ?
Na1 Ni1 H1 49_544 . 2_555 90.0000 ?
Na1 Ni1 H1 49_544 . 3_555 144.7356 ?
Na1 Ni1 H1 49_544 . 4_555 35.2644 ?
Na1 Ni1 H1 49_544 . 5_555 144.7356 ?
Na1 Ni1 H1 49_544 . 6_555 35.2644 ?
Na1 Ni1 H1 49_544 . 7_555 90.0000 ?
Na1 Ni1 H1 49_544 . 8_555 90.0000 ?
Na1 Ni1 H1 49_544 . 9_555 90.0000 ?
Na1 Ni1 H1 49_544 . 10_555 90.0000 ?
Na1 Ni1 H1 49_544 . 11_555 35.2644 ?
Na1 Ni1 H1 49_544 . 12_555 144.7356 ?
Na1 Ni1 Na1 97_454 . 145_445 109.4712(15) ?
Na1 Ni1 Na1 97_454 . 13_555 70.5288(15) ?
Na1 Ni1 Na1 97_454 . 61_545 180.0(5) ?
Na1 Ni1 Na1 97_454 . 109_455 70.5288(15) ?
Na1 Ni1 Na1 97_454 . 157_445 70.5288(15) ?
Na1 Ni1 H1 97_454 . . 90.0000 ?
Na1 Ni1 H1 97_454 . 2_555 90.0000 ?
Na1 Ni1 H1 97_454 . 3_555 35.2644 ?
Na1 Ni1 H1 97_454 . 4_555 144.7356 ?
Na1 Ni1 H1 97_454 . 5_555 90.0000 ?
Na1 Ni1 H1 97_454 . 6_555 90.0000 ?
Na1 Ni1 H1 97_454 . 7_555 144.7356 ?
Na1 Ni1 H1 97_454 . 8_555 35.2644 ?
Na1 Ni1 H1 97_454 . 9_555 144.7356 ?
Na1 Ni1 H1 97_454 . 10_555 35.2644 ?
Na1 Ni1 H1 97_454 . 11_555 90.0000 ?
Na1 Ni1 H1 97_454 . 12_555 90.0000 ?
Na1 Ni1 Na1 145_445 . 13_555 180.0(5) ?
Na1 Ni1 Na1 145_445 . 61_545 70.5288(15) ?
Na1 Ni1 Na1 145_445 . 109_455 70.5288(15) ?
Na1 Ni1 Na1 145_445 . 157_445 70.5288(15) ?
Na1 Ni1 H1 145_445 . . 144.7356 ?
Na1 Ni1 H1 145_445 . 2_555 35.2644 ?
Na1 Ni1 H1 145_445 . 3_555 90.0000 ?
Na1 Ni1 H1 145_445 . 4_555 90.0000 ?
Na1 Ni1 H1 145_445 . 5_555 90.0000 ?
Na1 Ni1 H1 145_445 . 6_555 90.0000 ?
Na1 Ni1 H1 145_445 . 7_555 35.2644 ?
Na1 Ni1 H1 145_445 . 8_555 144.7356 ?
Na1 Ni1 H1 145_445 . 9_555 90.0000 ?
Na1 Ni1 H1 145_445 . 10_555 90.0000 ?
Na1 Ni1 H1 145_445 . 11_555 144.7356 ?
Na1 Ni1 H1 145_445 . 12_555 35.2644 ?
Na1 Ni1 Na1 13_555 . 61_545 109.4712(15) ?
Na1 Ni1 Na1 13_555 . 109_455 109.4712(15) ?
Na1 Ni1 Na1 13_555 . 157_445 109.4712(15) ?
Na1 Ni1 H1 13_555 . . 35.2644 ?
Na1 Ni1 H1 13_555 . 2_555 144.7356 ?
Na1 Ni1 H1 13_555 . 3_555 90.0000 ?
Na1 Ni1 H1 13_555 . 4_555 90.0000 ?
Na1 Ni1 H1 13_555 . 5_555 90.0000 ?
Na1 Ni1 H1 13_555 . 6_555 90.0000 ?
Na1 Ni1 H1 13_555 . 7_555 144.7356 ?
Na1 Ni1 H1 13_555 . 8_555 35.2644 ?
Na1 Ni1 H1 13_555 . 9_555 90.0000 ?
Na1 Ni1 H1 13_555 . 10_555 90.0000 ?
Na1 Ni1 H1 13_555 . 11_555 35.2644 ?
Na1 Ni1 H1 13_555 . 12_555 144.7356 ?
Na1 Ni1 Na1 61_545 . 109_455 109.4712(15) ?
Na1 Ni1 Na1 61_545 . 157_445 109.4712(15) ?
Na1 Ni1 H1 61_545 . . 90.0000 ?
Na1 Ni1 H1 61_545 . 2_555 90.0000 ?
Na1 Ni1 H1 61_545 . 3_555 144.7356 ?
Na1 Ni1 H1 61_545 . 4_555 35.2644 ?
Na1 Ni1 H1 61_545 . 5_555 90.0000 ?
Na1 Ni1 H1 61_545 . 6_555 90.0000 ?
Na1 Ni1 H1 61_545 . 7_555 35.2644 ?
Na1 Ni1 H1 61_545 . 8_555 144.7356 ?
Na1 Ni1 H1 61_545 . 9_555 35.2644 ?
Na1 Ni1 H1 61_545 . 10_555 144.7356 ?
Na1 Ni1 H1 61_545 . 11_555 90.0000 ?
Na1 Ni1 H1 61_545 . 12_555 90.0000 ?
Na1 Ni1 Na1 109_455 . 157_445 109.4712(15) ?
Na1 Ni1 H1 109_455 . . 90.0000 ?
Na1 Ni1 H1 109_455 . 2_555 90.0000 ?
Na1 Ni1 H1 109_455 . 3_555 35.2644 ?
Na1 Ni1 H1 109_455 . 4_555 144.7356 ?
Na1 Ni1 H1 109_455 . 5_555 35.2644 ?
Na1 Ni1 H1 109_455 . 6_555 144.7356 ?
Na1 Ni1 H1 109_455 . 7_555 90.0000 ?
Na1 Ni1 H1 109_455 . 8_555 90.0000 ?
Na1 Ni1 H1 109_455 . 9_555 90.0000 ?
Na1 Ni1 H1 109_455 . 10_555 90.0000 ?
Na1 Ni1 H1 109_455 . 11_555 144.7356 ?
Na1 Ni1 H1 109_455 . 12_555 35.2644 ?
Na1 Ni1 H1 157_445 . . 144.7356 ?
Na1 Ni1 H1 157_445 . 2_555 35.2644 ?
Na1 Ni1 H1 157_445 . 3_555 90.0000 ?
Na1 Ni1 H1 157_445 . 4_555 90.0000 ?
Na1 Ni1 H1 157_445 . 5_555 144.7356 ?
Na1 Ni1 H1 157_445 . 6_555 35.2644 ?
Na1 Ni1 H1 157_445 . 7_555 90.0000 ?
Na1 Ni1 H1 157_445 . 8_555 90.0000 ?
Na1 Ni1 H1 157_445 . 9_555 144.7356 ?
Na1 Ni1 H1 157_445 . 10_555 35.2644 ?
Na1 Ni1 H1 157_445 . 11_555 90.0000 ?
Na1 Ni1 H1 157_445 . 12_555 90.0000 ?
H1 Ni1 H1 . . 2_555 180.0 ?
H1 Ni1 H1 . . 3_555 90.0000 ?
H1 Ni1 H1 . . 4_555 90.0000 ?
H1 Ni1 H1 . . 5_555 60.0000 ?
H1 Ni1 H1 . . 6_555 120.0000 ?
H1 Ni1 H1 . . 7_555 120.0000 ?
H1 Ni1 H1 . . 8_555 60.0000 ?
H1 Ni1 H1 . . 9_555 60.0000 ?
H1 Ni1 H1 . . 10_555 120.0000 ?
H1 Ni1 H1 . . 11_555 60.0000 ?
H1 Ni1 H1 . . 12_555 120.0000 ?
H1 Ni1 H1 2_555 . 3_555 90.0000 ?
H1 Ni1 H1 2_555 . 4_555 90.0000 ?
H1 Ni1 H1 2_555 . 5_555 120.0000 ?
H1 Ni1 H1 2_555 . 6_555 60.0000 ?
H1 Ni1 H1 2_555 . 7_555 60.0000 ?
H1 Ni1 H1 2_555 . 8_555 120.0000 ?
H1 Ni1 H1 2_555 . 9_555 120.0000 ?
H1 Ni1 H1 2_555 . 10_555 60.0000 ?
H1 Ni1 H1 2_555 . 11_555 120.0000 ?
H1 Ni1 H1 2_555 . 12_555 60.0000 ?
H1 Ni1 H1 3_555 . 4_555 180.0 ?
H1 Ni1 H1 3_555 . 5_555 60.0000 ?
H1 Ni1 H1 3_555 . 6_555 120.0000 ?
H1 Ni1 H1 3_555 . 7_555 120.0000 ?
H1 Ni1 H1 3_555 . 8_555 60.0000 ?
H1 Ni1 H1 3_555 . 9_555 120.0000 ?
H1 Ni1 H1 3_555 . 10_555 60.0000 ?
H1 Ni1 H1 3_555 . 11_555 120.0000 ?
H1 Ni1 H1 3_555 . 12_555 60.0000 ?
H1 Ni1 H1 4_555 . 5_555 120.0000 ?
H1 Ni1 H1 4_555 . 6_555 60.0000 ?
H1 Ni1 H1 4_555 . 7_555 60.0000 ?
H1 Ni1 H1 4_555 . 8_555 120.0000 ?
H1 Ni1 H1 4_555 . 9_555 60.0000 ?
H1 Ni1 H1 4_555 . 10_555 120.0000 ?
H1 Ni1 H1 4_555 . 11_555 60.0000 ?
H1 Ni1 H1 4_555 . 12_555 120.0000 ?
H1 Ni1 H1 5_555 . 6_555 180.0 ?
H1 Ni1 H1 5_555 . 7_555 90.0000 ?
H1 Ni1 H1 5_555 . 8_555 90.0000 ?
H1 Ni1 H1 5_555 . 9_555 60.0000 ?
H1 Ni1 H1 5_555 . 10_555 120.0000 ?
H1 Ni1 H1 5_555 . 11_555 120.0000 ?
H1 Ni1 H1 5_555 . 12_555 60.0000 ?
H1 Ni1 H1 6_555 . 7_555 90.0000 ?
H1 Ni1 H1 6_555 . 8_555 90.0000 ?
H1 Ni1 H1 6_555 . 9_555 120.0000 ?
H1 Ni1 H1 6_555 . 10_555 60.0000 ?
H1 Ni1 H1 6_555 . 11_555 60.0000 ?
H1 Ni1 H1 6_555 . 12_555 120.0000 ?
H1 Ni1 H1 7_555 . 8_555 180.0 ?
H1 Ni1 H1 7_555 . 9_555 60.0000 ?
H1 Ni1 H1 7_555 . 10_555 120.0000 ?
H1 Ni1 H1 7_555 . 11_555 120.0000 ?
H1 Ni1 H1 7_555 . 12_555 60.0000 ?
H1 Ni1 H1 8_555 . 9_555 120.0000 ?
H1 Ni1 H1 8_555 . 10_555 60.0000 ?
H1 Ni1 H1 8_555 . 11_555 60.0000 ?
H1 Ni1 H1 8_555 . 12_555 120.0000 ?
H1 Ni1 H1 9_555 . 10_555 180.0 ?
H1 Ni1 H1 9_555 . 11_555 90.0000 ?
H1 Ni1 H1 9_555 . 12_555 90.0000 ?
H1 Ni1 H1 10_555 . 11_555 90.0000 ?
H1 Ni1 H1 10_555 . 12_555 90.0000 ?
H1 Ni1 H1 11_555 . 12_555 180.0 ?
Na1 H1 Na1 . . 13_555 121.0076 ?
Na1 H1 Ni1 . . . 119.4962 ?
Na1 H1 Ni1 13_555 . . 119.4962 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Na1 Na1 . 13_555 3.58453(16) ?
Na1 Na1 . 13_556 3.58453(16) ?
Na1 Na1 . 61_545 3.58453(16) ?
Na1 Na1 . 61_555 3.58453(16) ?
Na1 Na1 . 109_455 3.58453(16) ?
Na1 Na1 . 109_555 3.58453(16) ?
Na1 Na2 . . 3.10429(8) ?
Na1 Na2 . 49_544 3.10429(8) ?
Na1 Na2 . 97_454 3.10429(8) ?
Na1 Na2 . 145_445 3.10429(8) ?
Na1 Ni1 . . 3.10429(8) ?
Na1 Ni1 . 49_555 3.10429(8) ?
Na1 Ni1 . 97_555 3.10429(8) ?
Na1 Ni1 . 145_555 3.10429(8) ?
Na1 H1 . . 2.05915 ?
Na1 H1 . 146_555 2.05915 ?
Na1 H1 . 99_555 2.05915 ?
Na1 H1 . 52_555 2.05915 ?
Na1 H1 . 5_555 2.05915 ?
Na1 H1 . 54_555 2.05915 ?
Na1 H1 . 151_555 2.05915 ?
Na1 H1 . 104_555 2.05915 ?
Na1 H1 . 9_555 2.05915 ?
Na1 H1 . 106_555 2.05915 ?
Na1 H1 . 59_555 2.05915 ?
Na1 H1 . 156_555 2.05915 ?
Ni1 H1 . . 1.52079 ?
Ni1 H1 . 2_555 1.52079 ?
Ni1 H1 . 3_555 1.52079 ?
Ni1 H1 . 4_555 1.52079 ?
Ni1 H1 . 5_555 1.52079 ?
Ni1 H1 . 6_555 1.52079 ?
Ni1 H1 . 7_555 1.52079 ?
Ni1 H1 . 8_555 1.52079 ?
Ni1 H1 . 9_555 1.52079 ?
Ni1 H1 . 10_555 1.52079 ?
Ni1 H1 . 11_555 1.52079 ?
Ni1 H1 . 12_555 1.52079 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
? ? ? ? ? ? ? ? ? ? ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
? ? ? ? ? ? ? ? ? ?
loop_
_pd_proc_point_id
_pd_proc_2theta_corrected
_pd_proc_intensity_net
_pd_calc_intensity_net
_pd_proc_ls_weight
1 2.3613 270.57 292.17 16.45
2 2.3662 303.47 295.21 17.42
3 2.3710 277.69 298.25 16.66
4 2.3759 283.90 301.29 16.85
5 2.3807 302.26 304.33 17.39
6 2.3856 295.10 307.37 17.18
7 2.3905 278.72 310.41 16.69
8 2.3953 230.74 313.45 15.19
9 2.4002 280.72 316.49 16.75
10 2.4051 290.55 319.53 17.05
11 2.4099 299.01 322.57 17.29
12 2.4148 295.98 325.61 17.20
13 2.4197 297.33 328.65 17.24
14 2.4245 326.59 331.69 18.07
15 2.4294 360.91 334.73 19.00
16 2.4343 290.08 337.77 17.03
17 2.4391 357.35 340.81 18.90
18 2.4440 345.06 343.86 18.58
19 2.4488 348.91 346.89 18.68
20 2.4537 350.23 349.93 18.71
21 2.4586 322.45 352.98 17.96
22 2.4634 295.06 356.02 17.18
23 2.4683 385.90 359.06 19.64
24 2.4732 350.42 362.10 18.72
25 2.4780 347.62 365.14 18.64
26 2.4829 362.09 367.68 19.03
27 2.4878 365.80 370.02 19.13
28 2.4926 358.29 372.36 18.93
29 2.4975 352.67 374.69 18.78
30 2.5023 352.12 377.03 18.76
31 2.5072 393.18 379.37 19.83
32 2.5121 420.27 381.70 20.50
33 2.5169 400.86 384.04 20.02
34 2.5218 391.48 386.38 19.79
35 2.5267 391.17 388.72 19.78
36 2.5315 410.45 391.05 20.26
37 2.5364 459.39 393.39 21.43
38 2.5412 444.87 395.73 21.09
39 2.5461 459.76 398.07 21.44
40 2.5510 444.67 400.40 21.09
41 2.5558 442.31 402.74 21.03
42 2.5607 455.32 405.08 21.34
43 2.5656 471.92 407.41 21.72
44 2.5704 481.96 409.75 21.95
45 2.5753 485.27 412.09 22.03
46 2.5802 446.58 414.42 21.13
47 2.5850 446.58 416.76 21.13
48 2.5899 425.86 419.10 20.64
49 2.5947 400.32 421.44 20.01
50 2.5996 394.50 423.77 19.86
51 2.6045 406.41 426.11 20.16
52 2.6093 414.92 428.45 20.37
53 2.6142 409.66 430.78 20.24
54 2.6191 398.76 433.12 19.97
55 2.6239 432.94 435.46 20.81
56 2.6288 430.42 437.80 20.75
57 2.6337 431.76 440.13 20.78
58 2.6385 433.32 442.47 20.82
59 2.6434 426.09 444.81 20.64
60 2.6483 419.05 447.14 20.47
61 2.6531 444.76 449.48 21.09
62 2.6580 457.68 451.40 21.39
63 2.6628 472.74 452.58 21.74
64 2.6677 458.36 453.77 21.41
65 2.6726 458.05 454.95 21.40
66 2.6774 480.88 456.13 21.93
67 2.6823 502.42 457.32 22.41
68 2.6872 488.88 458.50 22.11
69 2.6920 441.52 459.68 21.01
70 2.6969 476.61 460.86 21.83
71 2.7018 468.84 462.05 21.65
72 2.7066 456.72 463.23 21.37
73 2.7115 459.30 464.41 21.43
74 2.7163 475.19 465.60 21.80
75 2.7212 488.82 466.78 22.11
76 2.7261 490.47 467.96 22.15
77 2.7309 511.93 469.14 22.63
78 2.7358 525.38 470.33 22.92
79 2.7407 549.92 471.51 23.45
80 2.7455 566.28 472.69 23.80
81 2.7504 574.71 473.88 23.97
82 2.7552 570.35 475.06 23.88
83 2.7601 538.80 476.24 23.21
84 2.7650 598.66 477.42 24.47
85 2.7698 540.43 478.61 23.25
86 2.7747 563.68 479.79 23.74
87 2.7796 582.21 480.97 24.13
88 2.7844 593.86 482.16 24.37
89 2.7893 593.43 483.34 24.36
90 2.7942 573.41 484.52 23.95
91 2.7990 549.64 485.70 23.44
92 2.8039 586.23 486.89 24.21
93 2.8087 536.17 488.07 23.16
94 2.8136 518.23 489.25 22.76
95 2.8185 518.96 490.44 22.78
96 2.8233 530.93 491.62 23.04
97 2.8282 539.65 492.80 23.23
98 2.8331 529.37 493.98 23.01
99 2.8379 527.41 495.17 22.97
100 2.8428 512.10 496.35 22.63
101 2.8477 512.79 497.53 22.64
102 2.8525 499.33 498.72 22.35
103 2.8574 498.18 499.90 22.32
104 2.8623 511.82 499.90 22.62
105 2.8671 520.82 499.73 22.82
106 2.8720 503.01 499.56 22.43
107 2.8768 526.53 499.39 22.95
108 2.8817 504.75 499.22 22.47
109 2.8866 512.97 499.05 22.65
110 2.8914 490.60 498.89 22.15
111 2.8963 471.05 502.88 21.70
112 2.9012 480.84 502.89 21.93
113 2.9060 506.90 502.93 22.51
114 2.9109 490.65 504.61 22.15
115 2.9158 497.58 506.31 22.31
116 2.9206 514.66 508.02 22.69
117 2.9255 529.64 509.76 23.01
118 2.9303 531.85 511.51 23.06
119 2.9352 531.82 513.28 23.06
120 2.9401 536.45 515.08 23.16
121 2.9449 536.85 516.91 23.17
122 2.9498 530.07 518.76 23.02
123 2.9547 501.70 521.36 22.40
124 2.9595 539.19 528.99 23.22
125 2.9644 538.13 536.66 23.20
126 2.9692 540.27 544.38 23.24
127 2.9741 549.28 552.15 23.44
128 2.9790 547.96 559.99 23.41
129 2.9838 552.21 563.29 23.50
130 2.9887 557.49 565.56 23.61
131 2.9936 557.70 567.92 23.62
132 3.0860 998.27 797.73 31.60
133 3.0908 1144.55 978.33 33.83
134 3.0957 1442.71 1355.28 37.98
135 3.1006 2176.53 2042.26 46.65
136 3.1054 3457.11 3093.42 58.80
137 3.1103 5339.15 4394.56 73.07
138 3.1152 7173.47 5602.27 84.70
139 3.1200 8174.15 6214.02 90.41
140 3.1249 7919.11 5892.08 88.99
141 3.1298 6494.44 4823.10 80.59
142 3.1346 4089.28 3505.53 63.95
143 3.1395 2432.90 2352.13 49.32
144 3.1443 1677.88 1548.83 40.96
145 3.1492 1252.67 1084.97 35.39
146 3.1541 1016.12 854.99 31.88
147 3.1589 854.90 751.80 29.24
148 3.1638 731.52 705.67 27.05
149 3.1687 698.35 682.33 26.43
150 3.1735 677.93 668.05 26.04
151 3.1784 668.20 657.98 25.85
152 3.1832 666.20 650.40 25.81
153 3.1881 652.35 644.52 25.54
154 3.1930 640.42 639.92 25.31
155 3.1978 628.38 636.30 25.07
156 3.2027 619.33 633.44 24.89
157 3.2076 669.13 631.19 25.87
158 3.2124 670.27 629.42 25.89
159 3.2173 620.65 628.05 24.91
160 3.2222 650.10 627.00 25.50
161 3.2270 654.28 626.22 25.58
162 3.2319 641.26 625.66 25.32
163 3.5140 755.84 757.08 27.49
164 3.5188 738.58 764.04 27.18
165 3.5237 760.26 772.57 27.57
166 3.5286 769.38 781.42 27.74
167 3.5334 771.87 790.68 27.78
168 3.5383 793.35 800.47 28.17
169 3.5432 770.74 810.95 27.76
170 3.5480 812.32 817.85 28.50
171 3.5529 822.88 823.64 28.69
172 3.5577 821.07 831.78 28.65
173 3.5626 820.44 845.09 28.64
174 3.5675 831.59 871.76 28.84
175 3.5723 833.68 932.45 28.87
176 3.5772 816.88 1068.70 28.58
177 3.5821 942.07 1341.67 30.69
178 3.5869 2243.46 1803.24 47.37
179 3.5918 3049.71 2437.31 55.22
180 3.5967 3755.16 3105.93 61.28
181 3.6015 4017.63 3551.84 63.38
182 3.6064 3683.02 3530.09 60.69
183 3.6112 2891.29 3054.12 53.77
184 3.6161 2047.27 2379.67 45.25
185 3.6210 1487.49 1756.26 38.57
186 3.6258 1156.99 1310.97 34.01
187 3.6307 988.13 1051.65 31.43
188 3.6356 892.41 923.60 29.87
189 3.6404 904.49 866.76 30.07
190 3.6453 945.90 841.52 30.76
191 3.6502 920.13 828.60 30.33
192 3.6550 869.81 820.47 29.49
193 3.6599 897.39 814.57 29.96
194 3.6648 854.45 809.98 29.23
195 3.6696 851.71 806.30 29.18
196 3.6745 842.34 803.29 29.02
197 3.6793 856.71 800.80 29.27
198 3.6842 836.90 798.71 28.93
199 3.6891 744.93 796.93 27.29
200 3.6939 925.84 795.41 30.43
201 3.6988 917.53 794.09 30.29
202 3.7037 839.38 792.93 28.97
203 3.7085 856.91 791.91 29.27
204 3.7134 867.21 791.01 29.45
205 3.7183 855.71 790.20 29.25
206 3.7231 842.65 789.47 29.03
207 3.7280 833.86 788.82 28.88
208 3.7328 778.29 788.21 27.90
209 3.7377 820.49 787.66 28.64
210 3.7426 824.34 787.16 28.71
211 3.7474 800.07 786.69 28.29
212 3.7523 823.10 786.25 28.69
213 3.7572 830.86 785.84 28.82
214 3.7620 773.52 785.46 27.81
215 3.7669 765.43 785.10 27.67
216 3.7717 838.64 784.76 28.96
217 3.7766 796.81 784.44 28.23
218 3.7815 768.27 784.13 27.72
219 3.7863 788.78 783.84 28.09
220 3.7912 790.71 783.56 28.12
221 3.7961 795.78 783.30 28.21
222 3.8009 837.40 783.04 28.94
223 3.8058 759.32 782.90 27.56
224 3.8107 813.74 782.88 28.53
225 3.8155 817.73 782.87 28.60
226 3.8204 794.63 782.87 28.19
227 3.8252 772.55 780.80 27.79
228 3.8301 776.24 780.90 27.86
229 3.8350 795.06 781.00 28.20
230 3.8398 789.63 781.10 28.10
231 3.8447 750.33 781.20 27.39
232 3.8496 809.92 781.30 28.46
233 3.8544 766.36 781.40 27.68
234 3.8593 750.33 781.49 27.39
235 3.8642 790.39 781.59 28.11
236 3.8690 813.47 781.69 28.52
237 3.8739 783.73 781.79 28.00
238 3.8788 780.25 781.89 27.93
239 3.8836 842.03 781.99 29.02
240 3.8885 775.41 782.09 27.85
241 3.8933 817.29 782.18 28.59
242 3.8982 837.39 782.28 28.94
243 3.9031 816.88 782.38 28.58
244 3.9079 808.82 782.48 28.44
245 3.9128 836.26 782.58 28.92
246 3.9177 797.12 784.26 28.23
247 3.9225 797.34 784.43 28.24
248 3.9274 813.39 784.61 28.52
249 3.9323 785.39 784.45 28.02
250 3.9371 776.25 784.30 27.86
251 3.9420 795.38 784.15 28.20
252 3.9468 803.34 784.01 28.34
253 3.9517 775.57 783.89 27.85
254 3.9566 820.71 783.77 28.65
255 3.9614 777.01 783.66 27.87
256 3.9663 777.89 783.56 27.89
257 3.9712 793.28 783.48 28.17
258 3.9760 808.17 783.41 28.43
259 3.9809 805.75 783.36 28.39
260 3.9857 785.66 783.32 28.03
261 3.9906 771.46 783.31 27.78
262 3.9955 809.88 783.33 28.46
263 4.0003 779.61 783.37 27.92
264 4.0052 772.98 783.44 27.80
265 4.0101 772.28 783.56 27.79
266 4.0149 788.34 783.67 28.08
267 4.0198 795.40 783.28 28.20
268 4.0247 772.14 782.96 27.79
269 4.3700 732.68 716.19 27.07
270 4.3748 749.22 714.01 27.37
271 4.3797 714.51 711.83 26.73
272 4.3846 718.20 709.65 26.80
273 4.3894 760.36 707.47 27.57
274 4.3943 787.23 705.29 28.06
275 4.3992 796.43 703.11 28.22
276 4.4040 812.16 700.93 28.50
277 4.4089 824.32 698.75 28.71
278 4.4138 829.45 696.57 28.80
279 4.4186 780.76 694.39 27.94
280 4.4235 789.90 692.21 28.11
281 4.4283 756.66 690.03 27.51
282 4.4332 716.36 687.84 26.76
283 4.4381 711.51 685.66 26.67
284 4.4429 740.42 683.48 27.21
285 4.4478 740.71 681.30 27.22
286 4.4527 690.13 679.12 26.27
287 4.4575 664.79 676.94 25.78
288 4.4624 666.74 674.76 25.82
289 4.4672 666.43 672.58 25.82
290 4.4721 669.71 670.40 25.88
291 4.4770 674.17 668.15 25.96
292 4.4818 668.03 664.66 25.85
293 4.4867 683.42 661.17 26.14
294 4.4916 703.01 657.68 26.51
295 4.4964 689.88 654.19 26.27
296 4.5013 665.15 650.70 25.79
297 4.5062 646.86 647.21 25.43
298 4.5110 642.10 643.72 25.34
299 4.5159 652.25 640.23 25.54
300 4.5208 668.63 636.74 25.86
301 4.5256 630.11 633.25 25.10
302 4.5305 640.15 629.76 25.30
303 4.5353 659.03 626.27 25.67
304 4.5402 649.69 622.78 25.49
305 4.5451 648.69 619.30 25.47
306 4.5499 642.47 615.81 25.35
307 4.5548 619.17 612.32 24.88
308 4.5597 610.16 628.68 24.70
309 4.5645 588.89 626.12 24.27
310 4.5694 582.43 623.64 24.13
311 4.5743 585.77 621.23 24.20
312 4.5791 593.70 618.90 24.37
313 4.5840 614.02 617.80 24.78
314 4.5888 620.64 619.73 24.91
315 4.5937 600.53 621.77 24.51
316 4.5986 605.23 623.94 24.60
317 4.6034 622.43 626.24 24.95
318 4.8466 580.79 707.13 24.10
319 4.8515 592.65 686.77 24.34
320 4.8563 615.28 669.37 24.80
321 4.8612 565.45 654.35 23.78
322 4.8661 548.28 641.23 23.42
323 4.8709 505.42 629.51 22.48
324 4.8758 557.34 618.48 23.61
325 4.8807 579.92 608.51 24.08
326 4.8855 602.08 599.42 24.54
327 4.8904 623.00 607.69 24.96
328 4.8952 647.15 600.78 25.44
329 4.9001 679.58 594.48 26.07
330 4.9050 705.76 588.71 26.57
331 4.9098 748.60 583.40 27.36
332 4.9147 714.29 578.53 26.73
333 4.9196 705.63 574.05 26.56
334 4.9244 632.49 569.93 25.15
335 4.9293 567.75 566.16 23.83
336 4.9342 538.45 562.72 23.20
337 4.9390 507.27 559.60 22.52
338 4.9439 494.15 556.80 22.23
339 4.9488 484.08 554.32 22.00
340 4.9536 472.38 553.58 21.73
341 4.9585 486.86 553.51 22.06
342 4.9633 495.38 553.82 22.26
343 4.9682 509.84 554.53 22.58
344 4.9731 525.11 555.68 22.92
345 4.9779 521.21 557.31 22.83
346 4.9828 541.08 559.50 23.26
347 4.9877 463.72 562.31 21.53
348 4.9925 449.12 547.34 21.19
349 4.9974 443.08 552.53 21.05
350 5.0023 402.40 558.68 20.06
351 5.0071 335.93 566.00 18.33
352 5.0120 296.81 574.75 17.23
353 5.0168 332.12 586.93 18.22
354 5.0217 353.41 604.33 18.80
355 5.0266 416.69 624.54 20.41
356 5.0314 539.72 648.40 23.23
357 5.0363 575.19 677.01 23.98
358 5.0412 629.83 712.00 25.10
359 5.0460 740.65 755.93 27.21
360 5.0509 873.55 813.98 29.56
361 5.0557 995.51 900.08 31.55
362 5.0606 1325.89 1056.68 36.41
363 5.0655 1909.14 1402.72 43.69
364 5.0703 2935.96 2208.06 54.18
365 5.0752 4711.99 3928.13 68.64
366 5.0801 7743.71 7043.69 88.00
367 5.0849 11955.20 11607.70 109.34
368 5.0898 16491.30 16731.20 128.42
369 5.0947 19741.00 20446.50 140.50
370 5.0995 19207.00 20638.90 138.59
371 5.1044 14788.90 17179.70 121.61
372 5.1093 9798.47 12098.00 98.99
373 5.1141 6052.72 7434.82 77.80
374 5.1190 3717.97 4183.52 60.98
375 5.1238 2404.51 2359.59 49.04
376 5.1287 1657.89 1497.98 40.72
377 5.1336 1253.31 1131.01 35.40
378 5.1384 1000.11 970.68 31.62
379 5.1433 850.22 887.68 29.16
380 5.1482 779.46 834.97 27.92
381 5.1530 724.53 797.13 26.92
382 5.1579 693.10 768.56 26.33
383 5.1627 676.46 746.55 26.01
384 5.1676 669.38 729.42 25.87
385 5.1725 686.76 716.02 26.21
386 5.1773 638.96 705.51 25.28
387 5.1822 630.17 697.27 25.10
388 5.1871 599.74 690.84 24.49
389 5.1919 628.80 685.70 25.08
390 5.1968 662.20 674.68 25.73
391 5.2017 648.18 664.65 25.46
392 5.4351 473.11 423.45 21.75
393 5.4400 458.98 419.76 21.42
394 5.4448 468.19 416.08 21.64
395 5.4497 430.65 412.40 20.75
396 5.4546 411.75 408.72 20.29
397 5.4594 405.97 405.04 20.15
398 5.4643 406.93 401.36 20.17
399 5.4692 400.66 397.68 20.02
400 5.4740 391.80 394.52 19.79
401 5.4789 394.96 393.19 19.87
402 5.4837 395.82 391.86 19.90
403 5.4886 393.82 390.53 19.84
404 5.4935 397.75 389.20 19.94
405 5.4983 411.77 387.87 20.29
406 5.5032 401.68 386.54 20.04
407 5.5081 424.46 385.21 20.60
408 5.5129 453.26 383.88 21.29
409 5.5178 414.46 382.55 20.36
410 5.5227 422.03 381.22 20.54
411 5.5275 407.17 379.89 20.18
412 5.5324 425.28 378.56 20.62
413 5.5372 414.60 377.23 20.36
414 5.7026 532.22 505.16 23.07
415 5.7075 507.92 509.31 22.54
416 5.7123 516.55 512.04 22.73
417 5.7172 559.49 509.52 23.65
418 5.7221 541.95 506.99 23.28
419 5.7269 544.39 504.46 23.33
420 5.7318 511.61 501.93 22.62
421 5.7367 511.53 499.40 22.62
422 5.7415 527.90 496.87 22.98
423 5.7464 529.05 509.31 23.00
424 5.7512 509.02 507.35 22.56
425 5.7561 504.00 505.42 22.45
426 5.7610 537.29 505.69 23.18
427 5.7658 455.46 503.94 21.34
428 5.7707 472.26 502.23 21.73
429 5.7756 503.86 500.58 22.45
430 5.7804 488.92 498.98 22.11
431 5.7853 462.02 497.45 21.49
432 5.7902 488.95 495.99 22.11
433 5.7950 496.58 494.60 22.28
434 5.7999 518.13 493.29 22.76
435 5.8047 472.04 492.07 21.73
436 5.8096 495.78 490.95 22.27
437 5.8145 479.37 489.94 21.89
438 5.8193 447.55 489.05 21.16
439 5.8242 439.84 488.30 20.97
440 5.8291 458.35 490.22 21.41
441 5.8339 464.82 501.79 21.56
442 5.8388 528.10 513.54 22.98
443 5.8437 512.06 525.51 22.63
444 5.8485 514.46 537.70 22.68
445 5.8534 517.80 550.17 22.76
446 5.8582 523.08 562.93 22.87
447 5.8631 530.60 576.04 23.03
448 5.8680 540.23 589.54 23.24
449 5.8728 559.79 603.49 23.66
450 5.8777 541.16 617.97 23.26
451 5.8826 569.79 633.06 23.87
452 5.8874 551.89 648.86 23.49
453 5.8923 574.03 665.50 23.96
454 5.8972 616.74 683.14 24.83
455 6.4370 252.27 263.77 15.88
456 6.4419 293.25 276.33 17.12
457 6.4467 322.63 296.60 17.96
458 6.4516 356.76 316.87 18.89
459 6.4565 396.15 337.14 19.90
460 6.4613 383.74 357.41 19.59
461 6.4662 371.16 373.81 19.27
462 6.4711 454.62 378.35 21.32
463 6.4759 433.83 382.88 20.83
464 6.4808 402.37 387.42 20.06
465 6.4857 384.90 391.96 19.62
466 6.4905 382.85 393.02 19.57
467 6.4954 389.38 388.20 19.73
468 6.5002 388.74 383.39 19.72
469 6.5051 346.93 378.57 18.63
470 6.5100 406.26 373.76 20.16
471 6.5148 396.07 368.94 19.90
472 6.5197 393.42 364.13 19.83
473 6.5246 357.00 359.32 18.89
474 6.5294 345.34 354.50 18.58
475 6.5343 354.97 349.69 18.84
476 6.5392 342.12 356.62 18.50
477 6.5440 328.56 352.36 18.13
478 6.5489 358.31 348.14 18.93
479 6.5538 364.55 343.97 19.09
480 6.5586 340.80 339.84 18.46
481 6.5635 318.98 335.77 17.86
482 6.5683 311.93 331.76 17.66
483 6.5732 310.77 327.82 17.63
484 6.5781 307.68 323.95 17.54
485 6.5829 314.17 320.16 17.72
486 6.5878 310.29 316.46 17.62
487 6.5927 321.66 313.05 17.93
488 6.5975 311.98 312.24 17.66
489 6.6024 293.45 311.58 17.13
490 6.6072 268.39 311.06 16.38
491 6.6121 262.79 310.71 16.21
492 6.6170 295.92 310.56 17.20
493 6.6218 340.55 310.63 18.45
494 6.6267 268.89 310.96 16.40
495 6.6316 300.56 311.60 17.34
496 6.6364 267.33 312.59 16.35
497 6.8504 227.55 340.24 15.08
498 6.8553 226.12 340.71 15.04
499 6.8602 256.23 343.11 16.01
500 6.8650 271.76 347.68 16.49
501 6.8699 263.23 354.80 16.22
502 6.8748 290.76 365.07 17.05
503 6.8796 322.60 379.53 17.96
504 6.8845 341.22 400.44 18.47
505 6.8893 409.24 433.01 20.23
506 6.8942 548.49 489.77 23.42
507 6.8991 731.17 598.27 27.04
508 6.9039 933.66 811.56 30.56
509 6.9088 1339.47 1214.18 36.60
510 6.9137 1956.25 1910.59 44.23
511 6.9185 2874.50 2981.75 53.61
512 6.9234 4238.62 4416.63 65.10
513 6.9282 5906.34 6041.15 76.85
514 6.9331 7519.93 7491.79 86.72
515 6.9380 8570.15 8275.31 92.58
516 6.9428 8539.15 8035.00 92.41
517 6.9477 7106.46 6886.27 84.30
518 6.9526 4922.39 5295.50 70.16
519 6.9574 3382.60 3716.21 58.16
520 6.9623 2312.32 2426.96 48.09
521 6.9672 1584.96 1522.66 39.81
522 6.9720 1101.07 955.24 33.18
523 6.9769 789.00 643.63 28.09
524 6.9817 595.60 479.77 24.40
525 6.9866 477.99 393.09 21.86
526 6.9915 398.39 343.18 19.96
527 6.9963 354.42 310.38 18.83
528 7.0012 331.58 286.10 18.21
529 7.0061 310.81 266.75 17.63
530 7.0109 289.73 250.73 17.02
531 7.0158 252.24 237.18 15.88
532 7.0207 198.92 225.53 14.10
533 7.0255 182.43 215.40 13.51
534 7.0304 210.28 206.48 14.50
535 7.0352 165.34 198.57 12.86
536 7.0401 158.81 191.47 12.60
537 7.0450 139.87 185.05 11.83
538 7.0498 136.38 179.21 11.68
539 7.0547 128.40 173.86 11.33
540 7.0596 117.89 168.94 10.86
541 7.0644 154.76 164.37 12.44
542 7.0693 157.83 160.13 12.56
543 7.0742 173.58 156.18 13.17
544 7.0790 188.22 152.48 13.72
545 7.0839 201.83 149.03 14.21
546 7.0887 202.89 145.79 14.24
547 7.0936 192.42 142.77 13.87
548 7.0985 180.81 139.95 13.45
549 7.1033 167.47 137.34 12.94
550 7.1082 111.57 135.38 10.56
551 7.1131 130.71 138.58 11.43
552 7.1179 157.38 142.02 12.55
553 7.1228 152.07 145.73 12.33
554 7.1277 144.55 149.73 12.02
555 7.1325 128.77 154.10 11.35
556 7.1374 123.69 158.88 11.12
557 7.1423 139.34 163.99 11.80
558 7.1471 130.18 165.33 11.41
559 7.1520 150.94 167.55 12.29
560 7.1568 188.01 171.03 13.71
561 7.1617 170.31 176.74 13.05
562 7.1666 187.83 187.30 13.71
563 7.1714 200.49 209.73 14.16
564 7.1763 203.59 260.37 14.27
565 7.1812 237.44 370.74 15.41
566 7.1860 356.10 587.43 18.87
567 7.1909 579.46 956.76 24.07
568 7.1957 973.63 1487.81 31.20
569 7.2006 1594.98 2112.75 39.94
570 7.2055 2320.46 2661.42 48.17
571 7.2103 2862.75 2932.06 53.50
572 7.2152 3048.70 2780.10 55.22
573 7.2201 2794.37 2283.94 52.86
574 7.2249 2142.88 1655.95 46.29
575 7.2298 1356.17 1081.77 36.83
576 7.2347 750.03 658.70 27.39
577 7.2395 449.71 396.78 21.21
578 7.2444 285.79 256.49 16.91
579 7.2492 198.02 188.72 14.07
580 7.2541 165.35 156.81 12.86
581 7.2590 140.10 140.41 11.84
582 7.2638 96.43 130.29 9.82
583 7.2687 76.77 121.56 8.76
584 7.2736 69.87 111.14 8.36
585 7.2784 80.82 101.66 8.99
586 7.2833 74.07 92.84 8.61
587 7.2882 76.79 86.07 8.76
588 7.2930 89.43 83.67 9.46
589 7.2979 99.41 81.59 9.97
590 7.3027 102.83 79.77 10.14
591 7.3076 105.96 78.15 10.29
592 7.3125 91.79 76.70 9.58
593 7.3173 109.55 75.39 10.47
594 7.3222 154.62 74.20 12.43
595 7.3271 163.62 73.10 12.79
596 7.3319 156.91 72.09 12.53
597 7.3368 172.53 71.15 13.14
598 7.3417 183.71 70.27 13.55
599 7.3465 155.21 69.44 12.46
600 7.3514 156.63 68.66 12.52
601 7.3562 219.37 67.91 14.81
602 7.3611 211.81 67.20 14.55
603 7.3660 217.32 66.52 14.74
604 7.3708 196.60 65.87 14.02
605 7.3757 190.54 65.24 13.80
606 7.3806 204.45 64.63 14.30
607 7.3854 204.98 64.04 14.32
608 7.3903 167.10 63.47 12.93
609 7.3952 181.88 62.91 13.49
610 7.4000 186.30 62.37 13.65
611 7.4049 217.55 61.84 14.75
612 7.4097 197.48 61.32 14.05
613 7.4146 203.82 60.81 14.28
614 7.4195 201.72 60.30 14.20
615 7.4243 174.20 59.81 13.20
616 7.4292 162.87 59.33 12.76
617 7.4341 196.50 58.85 14.02
618 7.4389 146.51 58.37 12.10
619 7.4438 144.86 57.91 12.04
620 7.4487 165.96 57.44 12.88
621 7.4535 126.82 55.10 11.26
622 7.4584 112.51 54.72 10.61
623 7.4632 102.71 54.34 10.13
624 7.4681 71.22 53.96 8.44
625 7.4730 102.26 53.58 10.11
626 7.4778 89.44 53.20 9.46
627 7.4827 46.86 52.85 6.85
628 7.4876 68.26 52.59 8.26
629 7.4924 103.18 52.33 10.16
630 7.4973 96.92 52.08 9.84
631 7.5022 84.17 51.82 9.17
632 7.5070 80.65 51.56 8.98
633 7.5119 67.91 51.30 8.24
634 7.5167 108.07 51.05 10.40
635 7.5216 74.11 50.79 8.61
636 7.5265 36.14 50.53 6.01
637 7.8961 56.19 115.11 7.50
638 7.9010 82.86 104.92 9.10
639 7.9058 92.60 112.81 9.62
640 7.9107 122.01 130.65 11.05
641 7.9156 139.47 145.88 11.81
642 7.9204 141.25 141.49 11.89
643 7.9253 143.56 117.02 11.98
644 7.9302 86.79 88.12 9.32
645 7.9350 31.89 64.30 5.65
646 7.9399 69.62 47.22 8.34
647 7.9447 13.69 35.60 3.70
648 7.9496 0.00 0.00 0.00
649 7.9545 14.31 24.66 3.78
650 7.9593 27.57 23.73 5.25
651 7.9642 26.10 23.56 5.11
652 7.9691 20.25 23.90 4.50
653 7.9739 61.31 24.61 7.83
654 7.9788 39.34 25.64 6.27
655 7.9837 23.97 26.95 4.90
656 7.9885 44.06 28.54 6.64
657 7.9934 41.62 30.40 6.45
658 7.9983 58.46 32.59 7.65
659 8.0031 63.26 35.19 7.95
660 8.0080 22.32 38.41 4.72
661 8.0128 47.79 42.80 6.91
662 8.0177 19.98 49.98 4.47
663 8.0226 39.41 63.78 6.28
664 8.0274 77.74 90.37 8.82
665 8.0323 119.40 141.08 10.93
666 8.0372 136.96 230.74 11.70
667 8.0420 192.61 371.94 13.88
668 8.0469 323.67 565.09 17.99
669 8.0517 499.48 788.07 22.35
670 8.0566 724.28 996.58 26.91
671 8.0615 968.92 1120.18 31.13
672 8.0663 979.85 1112.29 31.30
673 8.0712 854.15 977.50 29.23
674 8.0761 620.94 770.24 24.92
675 8.0809 429.72 553.43 20.73
676 8.0858 315.42 371.38 17.76
677 8.0907 229.49 242.37 15.15
678 8.0955 159.45 163.60 12.63
679 8.1004 167.62 121.57 12.95
680 8.1052 139.06 101.76 11.79
681 8.1101 136.82 93.49 11.70
682 8.1150 124.97 89.76 11.18
683 8.1198 137.32 89.17 11.72
684 8.1247 156.30 89.64 12.50
685 8.1296 148.52 90.67 12.19
686 8.1344 121.94 91.77 11.04
687 8.1393 157.10 93.48 12.53
688 8.1442 176.66 95.44 13.29
689 8.1490 204.44 97.62 14.30
690 8.1539 147.34 100.01 12.14
691 8.1587 167.48 102.59 12.94
692 8.1636 166.83 105.38 12.92
693 8.1685 152.68 108.39 12.36
694 8.1733 160.52 111.63 12.67
695 8.1782 166.35 115.14 12.90
696 8.1831 138.69 118.97 11.78
697 8.1879 174.33 123.16 13.20
698 8.1928 148.57 127.80 12.19
699 8.1977 169.91 132.99 13.04
700 8.2025 164.28 138.88 12.82
701 8.2074 148.36 145.67 12.18
702 8.2122 163.26 153.64 12.78
703 8.2171 202.45 163.19 14.23
704 8.2220 200.57 174.92 14.16
705 8.2268 228.82 189.81 15.13
706 8.2317 257.19 209.63 16.04
707 8.2366 272.09 237.87 16.50
708 8.2414 324.93 281.33 18.03
709 8.2463 388.92 352.00 19.72
710 8.2512 485.29 466.86 22.03
711 8.2560 634.47 642.92 25.19
712 8.2609 850.29 882.45 29.16
713 8.2657 1153.54 1136.75 33.96
714 8.2706 1331.91 1262.08 36.50
715 8.2755 1103.40 1146.83 33.22
716 8.2803 861.32 898.04 29.35
717 8.2852 705.49 661.23 26.56
718 8.2901 557.65 487.61 23.61
719 8.2949 432.42 375.53 20.79
720 8.2998 354.33 308.11 18.82
721 8.3047 299.05 268.29 17.29
722 8.3095 278.56 243.96 16.69
723 8.3144 250.81 228.17 15.84
724 8.3192 264.92 217.36 16.28
725 8.3241 222.45 209.74 14.91
726 8.3290 208.77 203.66 14.45
727 8.3338 223.42 199.84 14.95
728 8.3387 241.64 197.19 15.54
729 8.3436 234.81 195.43 15.32
730 8.3484 195.64 194.35 13.99
731 8.3533 222.45 193.81 14.91
732 8.3582 171.40 193.70 13.09
733 8.3630 185.33 192.96 13.61
734 8.3679 205.38 192.11 14.33
735 8.3727 236.76 191.49 15.39
736 8.3776 245.30 191.06 15.66
737 8.3825 241.01 190.79 15.52
738 8.3873 247.33 190.64 15.73
739 8.3922 228.14 190.61 15.10
740 8.3971 237.70 190.67 15.42
741 8.4019 294.36 190.82 17.16
742 8.4068 318.89 191.03 17.86
743 8.4117 303.13 191.30 17.41
744 8.8105 2683.32 1650.38 51.80
745 8.8153 2699.88 2325.39 51.96
746 8.8202 2891.86 3124.74 53.78
747 8.8251 3513.94 3919.11 59.28
748 8.8299 4483.91 4520.70 66.96
749 8.8348 5338.85 4742.12 73.07
750 8.8397 5685.68 4502.59 75.40
751 8.8445 5277.93 3892.47 72.65
752 8.8494 4294.85 3101.91 65.54
753 8.8542 3126.01 2316.27 55.91
754 8.8591 2134.62 1660.44 46.20
755 8.8640 1488.29 1184.80 38.58
756 8.8688 1150.15 880.20 33.91
757 8.8737 910.47 705.59 30.17
758 8.8786 803.77 614.72 28.35
759 8.8834 765.12 570.87 27.66
760 8.8883 677.91 550.61 26.04
761 8.8932 630.94 541.33 25.12
762 8.8980 640.76 537.04 25.31
763 8.9029 626.64 535.17 25.03
764 8.9077 617.38 534.68 24.85
765 8.9126 609.96 535.10 24.70
766 8.9175 583.93 536.20 24.16
767 8.9223 587.26 537.82 24.23
768 8.9272 599.90 539.88 24.49
769 8.9321 567.49 542.28 23.82
770 8.9369 546.17 544.96 23.37
771 8.9418 544.69 547.89 23.34
772 8.9467 527.41 551.01 22.97
773 8.9515 564.76 553.13 23.76
774 8.9564 523.96 548.90 22.89
775 8.9612 562.83 544.80 23.72
776 8.9661 567.38 540.79 23.82
777 8.9710 533.30 536.88 23.09
778 8.9758 552.42 533.05 23.50
779 8.9807 583.92 529.28 24.16
780 8.9856 571.49 525.58 23.91
781 8.9904 540.41 521.93 23.25
782 8.9953 572.47 518.32 23.93
783 9.0002 552.91 514.76 23.51
784 9.0050 524.01 511.23 22.89
785 9.0099 527.92 507.74 22.98
786 9.0147 514.32 504.27 22.68
787 9.0196 501.09 500.84 22.39
788 9.0245 511.84 497.42 22.62
789 9.0293 523.35 494.03 22.88
790 9.0342 492.39 490.65 22.19
791 9.0391 455.43 487.30 21.34
792 9.0439 499.36 483.96 22.35
793 9.0488 477.76 480.63 21.86
794 9.0537 484.13 477.32 22.00
795 9.0585 470.28 474.02 21.69
796 9.0634 476.43 470.73 21.83
797 9.0682 490.60 467.45 22.15
798 9.0731 486.42 464.68 22.06
799 9.0780 464.34 461.43 21.55
800 9.0828 448.36 458.20 21.17
801 9.0877 475.92 454.97 21.82
802 9.0926 495.61 451.75 22.26
803 9.0974 458.39 448.54 21.41
804 9.1023 447.47 445.33 21.15
805 9.1072 471.01 440.94 21.70
806 9.1120 473.10 435.39 21.75
807 9.1169 451.57 429.84 21.25
808 9.1217 458.91 421.86 21.42
809 9.1266 459.75 416.41 21.44
810 9.1315 455.23 410.96 21.34
811 9.1363 433.77 405.52 20.83
812 9.1412 396.28 400.07 19.91
813 9.1461 387.74 394.62 19.69
814 9.1509 368.82 389.18 19.20
815 9.1558 358.73 383.74 18.94
816 9.1607 364.22 378.31 19.08
817 9.1655 360.02 372.87 18.97
818 9.1704 368.42 367.44 19.19
819 9.1752 413.72 362.02 20.34
820 9.1801 412.43 356.59 20.31
821 9.1850 371.32 351.17 19.27
822 9.1898 384.75 345.76 19.62
823 9.1947 398.86 340.35 19.97
824 9.1996 415.04 334.95 20.37
825 9.2044 429.46 329.56 20.72
826 9.2093 416.20 324.17 20.40
827 9.2142 402.10 318.79 20.05
828 9.2190 429.90 313.42 20.73
829 9.2239 426.53 308.07 20.65
830 9.2287 438.76 302.72 20.95
831 9.2336 381.31 297.39 19.53
832 9.2385 316.53 292.07 17.79
833 9.2433 251.80 286.77 15.87
834 9.2482 171.27 281.50 13.09
835 9.2531 105.24 276.25 10.26
836 9.2579 153.87 271.03 12.40
837 9.2628 261.25 265.84 16.16
838 9.2677 248.91 267.01 15.78
839 9.2725 273.56 268.75 16.54
840 9.2774 312.33 270.54 17.67
841 9.2823 308.13 272.40 17.55
842 9.2871 317.48 274.34 17.82
843 9.2920 340.37 276.39 18.45
844 9.2968 315.23 278.58 17.75
845 9.3017 278.98 280.96 16.70
846 9.3066 314.67 283.65 17.74
847 9.3114 343.02 286.90 18.52
848 9.3163 349.00 291.34 18.68
849 9.3212 312.65 298.28 17.68
850 9.3260 336.67 310.32 18.35
851 9.3309 368.40 331.95 19.19
852 9.3357 379.79 369.81 19.49
853 9.3406 402.31 433.28 20.06
854 9.3455 432.73 526.77 20.80
855 9.3503 559.76 653.26 23.66
856 9.3552 796.28 805.02 28.22
857 9.3601 1109.69 962.26 33.31
858 9.3649 1380.32 1094.72 37.15
859 9.3698 1504.49 1168.67 38.79
860 9.3747 1493.84 1161.32 38.65
861 9.3795 1330.43 1075.61 36.48
862 9.3844 1035.17 938.09 32.17
863 9.3892 789.92 782.74 28.11
864 9.3941 654.72 637.87 25.59
865 9.3990 577.75 520.86 24.04
866 9.4038 541.26 437.17 23.26
867 9.4087 460.72 383.58 21.46
868 9.4136 411.81 352.61 20.29
869 9.4184 395.45 336.37 19.89
870 9.4233 384.39 328.63 19.61
871 9.4282 366.23 325.35 19.14
872 9.4330 360.35 324.24 18.98
873 9.4379 401.82 324.18 20.05
874 9.4427 313.15 324.66 17.70
875 9.4476 299.03 325.47 17.29
876 9.4525 293.71 326.52 17.14
877 9.4573 299.23 327.77 17.30
878 9.4622 319.06 329.22 17.86
879 9.4671 330.79 330.86 18.19
880 9.4719 326.85 332.71 18.08
881 9.4768 334.50 334.79 18.29
882 9.4817 327.83 337.09 18.11
883 9.4865 329.91 337.55 18.16
884 9.4914 336.40 338.40 18.34
885 9.4962 309.45 339.77 17.59
886 9.5011 367.28 341.84 19.16
887 9.5060 375.08 344.86 19.37
888 9.5935 330.19 340.79 18.17
889 9.5984 356.17 334.10 18.87
890 9.6032 348.30 329.02 18.66
891 9.6081 318.75 325.01 17.85
892 9.6130 290.46 321.76 17.04
893 9.6178 308.68 319.08 17.57
894 9.6227 357.72 316.83 18.91
895 9.6276 306.21 314.91 17.50
896 9.6324 317.23 313.25 17.81
897 9.6373 343.12 311.82 18.52
898 9.6422 338.75 310.58 18.41
899 9.6470 313.10 309.49 17.69
900 9.6519 303.86 308.54 17.43
901 9.6567 316.60 307.73 17.79
902 9.6616 293.73 307.04 17.14
903 9.6665 295.82 306.46 17.20
904 9.6713 291.49 306.00 17.07
905 9.6762 266.72 306.07 16.33
906 9.6811 289.75 308.16 17.02
907 9.6859 293.43 310.38 17.13
908 9.6908 299.81 312.75 17.32
909 9.6957 334.35 315.27 18.29
910 9.7005 332.06 317.97 18.22
911 9.7054 348.10 320.87 18.66
912 9.7102 350.98 324.00 18.73
913 9.7151 339.62 327.39 18.43
914 9.7200 355.88 331.11 18.86
915 9.7248 332.42 335.20 18.23
916 9.7297 320.60 339.74 17.91
917 9.7346 309.94 344.83 17.61
918 9.7394 301.79 350.50 17.37
919 9.7443 327.89 355.94 18.11
920 9.7492 317.61 362.43 17.82
921 9.7540 356.73 370.33 18.89
922 9.7589 346.90 380.16 18.63
923 9.7637 378.39 393.10 19.45
924 9.7686 424.90 411.74 20.61
925 9.7735 484.68 441.08 22.02
926 9.7783 578.91 496.85 24.06
927 9.7832 697.51 603.12 26.41
928 9.7881 839.71 800.10 28.98
929 9.7929 1100.39 1138.42 33.17
930 9.7978 1549.51 1659.70 39.36
931 9.8027 2290.32 2364.93 47.86
932 9.8075 3129.15 3182.52 55.94
933 9.8124 4013.35 3950.54 63.35
934 9.8172 4536.58 4436.37 67.35
935 9.8221 4533.19 4438.85 67.33
936 9.8270 3995.08 3956.95 63.21
937 9.8318 3104.22 3190.65 55.72
938 9.8367 2237.87 2373.35 47.31
939 9.8416 1657.39 1667.28 40.71
940 9.8464 1132.45 1144.82 33.65
941 9.8513 880.73 805.70 29.68
942 9.8562 695.68 608.25 26.38
943 9.8610 584.14 501.95 24.17
944 9.8659 503.87 446.41 22.45
945 9.8708 431.11 416.21 20.76
946 9.8756 388.12 398.43 19.70
947 9.8805 394.98 385.94 19.87
948 9.8853 366.38 376.55 19.14
949 9.8902 382.63 369.12 19.56
950 9.8951 391.01 363.08 19.77
951 9.8999 347.23 358.10 18.63
952 9.9048 341.80 353.95 18.49
953 9.9097 318.48 350.46 17.85
954 9.9145 302.12 347.52 17.38
955 9.9194 311.46 345.03 17.65
956 9.9242 318.09 342.90 17.83
957 9.9291 312.73 341.07 17.68
958 9.9340 363.74 339.51 19.07
959 9.9388 311.89 338.16 17.66
960 9.9437 324.89 336.99 18.02
961 9.9486 330.72 335.99 18.19
962 9.9534 284.04 334.72 16.85
963 9.9583 295.12 333.38 17.18
964 9.9632 344.41 332.14 18.56
965 9.9680 347.37 331.00 18.64
966 9.9729 334.84 329.94 18.30
967 9.9777 348.39 328.95 18.67
968 9.9826 334.62 328.02 18.29
969 9.9875 327.46 327.15 18.10
970 9.9923 334.11 326.33 18.28
971 9.9972 311.04 325.56 17.64
972 10.0021 303.58 324.83 17.42
973 10.0069 307.80 324.36 17.54
974 10.0118 315.67 326.04 17.77
975 10.0167 331.67 327.74 18.21
976 10.0215 302.03 329.49 17.38
977 10.0264 346.50 331.26 18.61
loop_
_pd_proc_info_excluded_regions
'from 2.179 to 2.359'
'from 2.994 to 3.084'
'from 3.235 to 3.512'
'from 4.026 to 4.366'
'from 4.605 to 4.843'
'from 5.202 to 5.434'
'from 5.541 to 5.701'
'from 5.898 to 6.435'
'from 6.638 to 6.846'
'from 7.531 to 7.896'
'from 8.415 to 8.809'
'from 9.51 to 9.589'
'from 10.029 to 10.344'
'from 10.344 to 10.660'
loop_
_restr_angle_atom_site_label_1
_restr_angle_site_symmetry_1
_restr_angle_atom_site_label_2
_restr_angle_site_symmetry_2
_restr_angle_atom_site_label_3
_restr_angle_site_symmetry_3
_restr_angle_target
_restr_angle_target_weight_param
? ? ? ? ? ? ? ?
loop_
_restr_distance_atom_site_label_1
_restr_distance_site_symmetry_1
_restr_distance_atom_site_label_2
_restr_distance_site_symmetry_2
_restr_distance_target
_restr_distance_target_weight_param
? ? ? ? ? ?
loop_
_restr_equal_angle_atom_site_label_1
_restr_equal_angle_site_symmetry_1
_restr_equal_angle_atom_site_label_2
_restr_equal_angle_site_symmetry_2
_restr_equal_angle_atom_site_label_3
_restr_equal_angle_site_symmetry_3
_restr_equal_angle_class_class_id
_restr_equal_angle_class_target_weight_param
? ? ? ? ? ? ? ?
loop_
_restr_equal_distance_atom_site_label_1
_restr_equal_distance_site_symmetry_1
_restr_equal_distance_atom_site_label_2
_restr_equal_distance_site_symmetry_2
_restr_equal_distance_class_class_id
_restr_equal_distance_class_target_weight_param
? ? ? ? ? ?
loop_
_restr_equal_torsion_atom_site_label_1
_restr_equal_torsion_site_symmetry_1
_restr_equal_torsion_atom_site_label_2
_restr_equal_torsion_site_symmetry_2
_restr_equal_torsion_atom_site_label_3
_restr_equal_torsion_site_symmetry_3
_restr_equal_torsion_atom_site_label_4
_restr_equal_torsion_site_symmetry_4
_restr_equal_torsion_class_class_id
_restr_equal_torsion_class_target_weight_param
? ? ? ? ? ? ? ? ? ?
loop_
_restr_torsion_atom_site_label_1
_restr_torsion_site_symmetry_1
_restr_torsion_atom_site_label_2
_restr_torsion_site_symmetry_2
_restr_torsion_atom_site_label_3
_restr_torsion_site_symmetry_3
_restr_torsion_atom_site_label_4
_restr_torsion_site_symmetry_4
_restr_torsion_angle_target
_restr_torsion_weight_param
? ? ? ? ? ? ? ? ? ?
