#------------------------------------------------------------------------------
#$Date: 2019-11-08 02:03:28 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224655 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/18/1551820.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_1551820
loop_
_publ_author_name
'Hu, Shuaifeng'
'Zhao, Pei'
'Shen, Wangqiang'
'Yu, Pengyuan'
'Huang, Wenhuan'
'Ehara, Masahiro'
'Xie, Yunpeng'
'Akasaka, Takeshi'
'Lu, Xing'
_publ_section_title
;
 Crystallographic characterization of Er₃N@C₂ₙ (2n =
 80, 82, 84, 88): the importance of a planar Er₃N cluster.
;
_journal_issue                   28
_journal_name_full               Nanoscale
_journal_page_first              13415
_journal_page_last               13422
_journal_paper_doi               10.1039/c9nr04330f
_journal_volume                  11
_journal_year                    2019
_chemical_formula_moiety         'C80,C36 H44 N4 Ni,Er3 N,2(C6 H6)'
_chemical_formula_sum            'C128 H56 Er3 N5 Ni S0'
_chemical_formula_weight         2224.25
_chemical_name_common            'Er3N@D5h-C80 Ni(OEP)'
_chemical_name_systematic        'Er3N@D5h-C80 Ni(OEP)'
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2019-05-12 deposited with the CCDC.    2019-06-19 downloaded from the CCDC.
;
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 95.267(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   25.309(5)
_cell_length_b                   15.149(5)
_cell_length_c                   19.789(5)
_cell_measurement_reflns_used    9042
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.3907
_cell_measurement_theta_min      2.8804
_cell_volume                     7555(3)
_computing_cell_refinement       'SAINT (Bruker, 2017)'
_computing_data_collection       'Apex3 (Bruker, 2017)'
_computing_data_reduction        'SAINT (Bruker, 2017)'
_computing_publication_material  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXTL XT-2018/1 (Sheldrick, 2018)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0248
_diffrn_reflns_av_unetI/netI     0.0154
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            53637
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         25.470
_diffrn_reflns_theta_min         2.880
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.615
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6534
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    1.955
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             4364
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.160
_refine_diff_density_max         1.867
_refine_diff_density_min         -1.010
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1184
_refine_ls_number_reflns         7260
_refine_ls_number_restraints     2363
_refine_ls_restrained_S_all      1.388
_refine_ls_R_factor_all          0.0666
_refine_ls_R_factor_gt           0.0608
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0978P)²+54.0095P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1710
_refine_ls_wR_factor_ref         0.1767
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6498
_reflns_number_total             7260
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9nr04330f2.cif
_cod_data_source_block           Er3N@D5h-C80
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 1551818--1551822.cif.
;
_cod_database_code               1551820
_shelx_shelxl_version_number     2018/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.410
_shelx_estimated_absorpt_t_max   0.595
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
N1 N 0.2937(2) 0.000000 0.3092(3) 0.0322(12) Uani 1 2 d S T P A 2
Er1 Er 0.23693(16) 0.000000 0.3749(2) 0.0538(8) Uani 0.378 2 d S TU P A 2
Er2 Er 0.32766(11) -0.1069(3) 0.27013(19) 0.0645(10) Uani 0.3726 1 d . U P A 2
Er3 Er 0.3276(2) -0.1218(3) 0.3028(2) 0.0772(14) Uani 0.232 1 d . U P A 2
Er4 Er 0.2250(4) -0.0312(9) 0.3485(6) 0.0685(19) Uani 0.1274 1 d . U P A 2
Er5 Er 0.2205(6) 0.000000 0.3359(9) 0.062(3) Uani 0.1129 2 d S TU P A 2
Er6 Er 0.3695(3) 0.000000 0.3543(6) 0.177(5) Uani 0.1059 2 d S TU P A 2
Er7 Er 0.3440(4) -0.0962(5) 0.2791(7) 0.072(2) Uani 0.098 1 d . U P A 2
Er8 Er 0.2670(5) 0.000000 0.4028(7) 0.058(2) Uani 0.0733 2 d S TU P A 2
Er9 Er 0.3003(5) -0.1138(6) 0.2607(6) 0.074(2) Uani 0.0693 1 d . U P A 2
Er10 Er 0.3406(6) -0.1053(9) 0.3307(9) 0.099(4) Uani 0.0534 1 d . U P A 2
Er11 Er 0.2429(9) -0.0400(18) 0.3690(13) 0.068(4) Uani 0.0392 1 d . U P A 2
Er12 Er 0.2909(5) -0.0230(7) 0.2103(4) 0.070(3) Uani 0.0381 1 d . U P A 2
Er13 Er 0.3105(10) -0.0716(12) 0.2335(10) 0.075(3) Uani 0.0333 1 d . U P A 2
Er14 Er 0.2881(10) 0.000000 0.4074(15) 0.074(6) Uani 0.033 2 d S TU P A 2
Er15 Er 0.3000(9) -0.1191(12) 0.3530(12) 0.103(4) Uani 0.0263 1 d . U P A 2
Er16 Er 0.2691(10) -0.0782(16) 0.2326(11) 0.093(4) Uani 0.0258 1 d . U P A 2
Er17 Er 0.2436(9) -0.0902(16) 0.3167(12) 0.100(4) Uani 0.0229 1 d . U P A 2
Er18 Er 0.2510(16) 0.000000 0.2173(15) 0.089(6) Uani 0.0204 2 d S TU P A 2
C1 C 0.1546(5) -0.1069(11) 0.2376(8) 0.100(3) Uani 0.5 1 d D U P B -3
C2 C 0.1358(6) -0.0321(10) 0.2770(8) 0.111(3) Uani 0.5 1 d D U P B -3
C3 C 0.1395(6) -0.0541(11) 0.3467(9) 0.113(3) Uani 0.5 1 d D U P B -3
C4 C 0.1645(7) -0.1398(11) 0.3523(9) 0.111(4) Uani 0.5 1 d D U P B -3
C5 C 0.1664(6) -0.1708(12) 0.2845(10) 0.098(3) Uani 0.5 1 d D U P B -3
C6 C 0.2121(8) -0.2290(11) 0.2807(12) 0.091(3) Uani 0.5 1 d . U P B -3
C7 C 0.2328(7) -0.2228(10) 0.2187(10) 0.068(3) Uani 0.5 1 d . U P B -3
C8 C 0.2159(7) -0.1622(12) 0.1708(10) 0.077(3) Uani 0.5 1 d . U P B -3
C9 C 0.1756(7) -0.0976(13) 0.1765(10) 0.100(4) Uani 0.5 1 d D U P B -3
C10 C 0.1794(6) -0.0099(15) 0.1515(8) 0.102(3) Uani 0.5 1 d D U P B -3
C11 C 0.1593(7) 0.0586(13) 0.1894(10) 0.117(4) Uani 0.5 1 d D U P B -3
C12 C 0.1379(9) 0.0497(12) 0.2479(10) 0.127(4) Uani 0.5 1 d D U P B -3
C13 C 0.1484(8) 0.1173(13) 0.3026(10) 0.125(4) Uani 0.5 1 d D U P B -3
C14 C 0.1557(7) 0.0986(13) 0.3761(9) 0.118(4) Uani 0.5 1 d D U P B -3
C15 C 0.1513(6) 0.0149(13) 0.4028(9) 0.124(4) Uani 0.5 1 d D U P B -3
C16 C 0.1841(7) -0.0190(13) 0.4547(8) 0.115(4) Uani 0.5 1 d D U P B -3
C17 C 0.2061(8) -0.1022(13) 0.4595(9) 0.105(3) Uani 0.5 1 d D U P B -3
C18 C 0.2075(8) -0.1680(14) 0.4071(11) 0.107(4) Uani 0.5 1 d D U P B -3
C19 C 0.2401(8) -0.2183(12) 0.3958(10) 0.105(3) Uani 0.5 1 d D U P B -3
C20 C 0.2449(7) -0.2526(10) 0.3225(10) 0.094(3) Uani 0.5 1 d D U P B -3
C21 C 0.2993(7) -0.2758(13) 0.3034(9) 0.090(3) Uani 0.5 1 d D U P B -3
C22 C 0.2888(6) -0.2516(9) 0.2271(8) 0.070(3) Uani 0.5 1 d D U P B -3
C23 C 0.3248(7) -0.2118(11) 0.1835(8) 0.077(3) Uani 0.5 1 d D U P B -3
C24 C 0.3090(8) -0.1528(15) 0.1417(9) 0.076(3) Uani 0.5 1 d . U P B -3
C25 C 0.2574(8) -0.1228(13) 0.1284(8) 0.069(3) Uani 0.5 1 d . U P B -3
C26 C 0.2637(7) -0.0306(10) 0.1053(6) 0.073(3) Uani 0.5 1 d . U P B -3
C27 C 0.2230(8) 0.0289(11) 0.1190(8) 0.088(3) Uani 0.5 1 d . U P B -3
C28 C 0.2317(8) 0.1171(15) 0.1357(10) 0.093(4) Uani 0.5 1 d D U P B -3
C29 C 0.1928(8) 0.1375(14) 0.1791(10) 0.115(4) Uani 0.5 1 d D U P B -3
C30 C 0.2054(8) 0.2020(13) 0.2259(10) 0.116(4) Uani 0.5 1 d D U P B -3
C31 C 0.1839(8) 0.1856(14) 0.2906(10) 0.120(4) Uani 0.5 1 d D U P B -3
C32 C 0.2130(7) 0.2227(11) 0.3470(10) 0.100(3) Uani 0.5 1 d D U P B -3
C33 C 0.1909(8) 0.1603(15) 0.4093(12) 0.115(4) Uani 0.5 1 d D U P B -3
C34 C 0.2319(8) 0.1351(12) 0.4582(9) 0.112(4) Uani 0.5 1 d D U P B -3
C35 C 0.2270(8) 0.0473(13) 0.4868(8) 0.106(4) Uani 0.5 1 d D U P B -3
C36 C 0.2720(7) -0.0116(17) 0.5088(6) 0.102(3) Uani 0.5 1 d D U P B -3
C37 C 0.2611(9) -0.0866(13) 0.4966(7) 0.088(3) Uani 0.5 1 d . U P B -3
C38 C 0.3081(11) -0.1480(15) 0.4823(11) 0.091(3) Uani 0.5 1 d . U P B -3
C39 C 0.2912(7) -0.2188(12) 0.4303(10) 0.088(3) Uani 0.5 1 d D U P B -3
C40 C 0.3427(9) -0.2314(14) 0.4024(9) 0.094(4) Uani 0.5 1 d D U P B -3
C41 C 0.3509(7) -0.2582(11) 0.3335(9) 0.097(3) Uani 0.5 1 d D U P B -3
C42 C 0.3890(7) -0.2280(11) 0.2848(9) 0.090(3) Uani 0.5 1 d D U P B -3
C43 C 0.3795(7) -0.1984(13) 0.2157(9) 0.082(3) Uani 0.5 1 d D U P B -3
C44 C 0.4153(7) -0.1143(14) 0.2200(11) 0.083(3) Uani 0.5 1 d . U P B -3
C45 C 0.3895(8) -0.0627(15) 0.1648(9) 0.078(3) Uani 0.5 1 d . U P B -3
C46 C 0.3500(9) -0.0674(14) 0.1308(9) 0.073(3) Uani 0.5 1 d . U P B -3
C47 C 0.3136(5) 0.003(7) 0.1075(4) 0.072(3) Uani 0.5 1 d . U P B -3
C48 C 0.3267(8) 0.0867(15) 0.1240(8) 0.074(3) Uani 0.5 1 d . U P B -3
C49 C 0.2834(9) 0.1518(14) 0.1389(10) 0.087(4) Uani 0.5 1 d D U P B -3
C50 C 0.2959(9) 0.2193(13) 0.1878(10) 0.098(4) Uani 0.5 1 d D U P B -3
C51 C 0.2564(9) 0.2409(14) 0.2304(10) 0.109(4) Uani 0.5 1 d D U P B -3
C52 C 0.2948(10) 0.2624(18) 0.2902(11) 0.114(4) Uani 0.5 1 d D U P B -3
C53 C 0.2695(8) 0.2563(11) 0.3530(10) 0.099(3) Uani 0.5 1 d D U P B -3
C54 C 0.3057(11) 0.2410(13) 0.3978(12) 0.098(3) Uani 0.5 1 d . U P B -3
C55 C 0.2825(9) 0.1761(13) 0.4592(10) 0.103(4) Uani 0.5 1 d D U P B -3
C56 C 0.3275(10) 0.1204(13) 0.4904(10) 0.095(4) Uani 0.5 1 d D U P B -3
C57 C 0.3244(8) 0.0306(11) 0.5126(6) 0.092(3) Uani 0.5 1 d D U P B -3
C58 C 0.3705(9) -0.0315(11) 0.4987(7) 0.093(3) Uani 0.5 1 d . U P B -3
C59 C 0.3591(11) -0.1158(14) 0.4837(10) 0.090(3) Uani 0.5 1 d . U P B -3
C60 C 0.3896(10) -0.1670(15) 0.4281(12) 0.099(4) Uani 0.5 1 d . U P B -3
C61 C 0.4249(9) -0.1347(15) 0.3924(12) 0.094(3) Uani 0.5 1 d . U P B -3
C62 C 0.4241(12) -0.1694(18) 0.3243(14) 0.095(4) Uani 0.5 1 d . U P B -3
C63 C 0.4413(7) -0.0928(16) 0.2798(11) 0.081(3) Uani 0.5 1 d . U P B -3
C64 C 0.4535(4) -0.0183(13) 0.2948(8) 0.074(3) Uani 0.5 1 d . U P B -3
C65 C 0.4365(6) 0.0538(14) 0.2416(11) 0.080(3) Uani 0.5 1 d . U P B -3
C66 C 0.4076(6) 0.0277(11) 0.1823(8) 0.072(3) Uani 0.5 1 d . U P B -3
C67 C 0.3684(8) 0.1197(15) 0.1592(9) 0.085(3) Uani 0.5 1 d . U P B -3
C68 C 0.3942(9) 0.1668(16) 0.2099(10) 0.098(4) Uani 0.5 1 d D U P B -3
C69 C 0.3532(10) 0.2280(13) 0.2220(10) 0.108(4) Uani 0.5 1 d D U P B -3
C70 C 0.4298(8) 0.1341(14) 0.2654(10) 0.091(3) Uani 0.5 1 d D U P B -3
C71 C 0.3506(9) 0.2556(11) 0.2894(10) 0.104(4) Uani 0.5 1 d D U P B -3
C72 C 0.3898(7) 0.2203(10) 0.3429(9) 0.099(3) Uani 0.5 1 d D U P B -3
C73 C 0.3655(8) 0.2183(12) 0.4008(10) 0.091(4) Uani 0.5 1 d D U P B -3
C74 C 0.3733(8) 0.1525(13) 0.4559(9) 0.092(4) Uani 0.5 1 d D U P B -3
C75 C 0.4115(6) 0.0894(11) 0.4474(8) 0.090(3) Uani 0.5 1 d D U P B -3
C76 C 0.4096(7) 0.0122(19) 0.4672(8) 0.095(4) Uani 0.5 1 d . U P B -3
C77 C 0.4398(7) -0.0390(13) 0.4138(11) 0.093(3) Uani 0.5 1 d . U P B -3
C78 C 0.4538(4) 0.0190(12) 0.3591(8) 0.079(3) Uani 0.5 1 d . U P B -3
C79 C 0.4397(6) 0.0886(14) 0.3850(9) 0.091(3) Uani 0.5 1 d D U P B -3
C80 C 0.4287(10) 0.1515(15) 0.3360(10) 0.097(4) Uani 0.5 1 d D U P B -3
Ni1C Ni 0.48124(2) 0.000000 0.08254(3) 0.01468(19) Uani 1 2 d S T P C 1
N2C N 0.48008(11) -0.1296(2) 0.08388(15) 0.0175(6) Uani 1 1 d . . . C 1
N3C N 0.42389(16) 0.000000 0.0093(2) 0.0170(8) Uani 1 2 d S T P C 1
C18C C 0.31673(16) -0.1067(3) -0.10703(19) 0.0263(8) Uani 1 1 d . U . C 1
H18A H 0.336051 -0.159423 -0.121224 0.032 Uiso 1 1 calc R U . C 1
H18B H 0.300330 -0.077413 -0.148478 0.032 Uiso 1 1 calc R U . C 1
C17C C 0.27337(18) -0.1358(4) -0.0636(2) 0.0396(11) Uani 1 1 d . U . C 1
H17A H 0.247996 -0.173530 -0.090530 0.059 Uiso 1 1 calc R U . C 1
H17B H 0.254947 -0.083674 -0.048122 0.059 Uiso 1 1 calc R U . C 1
H17C H 0.289195 -0.168774 -0.024263 0.059 Uiso 1 1 calc R U . C 1
C16C C 0.35542(14) -0.0445(3) -0.06986(17) 0.0207(7) Uani 1 1 d . U . C 1
C15C C 0.39811(14) -0.0718(3) -0.02085(17) 0.0177(7) Uani 1 1 d . U . C 1
C14C C 0.40986(14) -0.1583(3) -0.00602(18) 0.0194(7) Uani 1 1 d . U . C 1
H14C H 0.390448 -0.202581 -0.031663 0.023 Uiso 1 1 calc R U . C 1
C13C C 0.44798(14) -0.1850(2) 0.04363(18) 0.0186(7) Uani 1 1 d . U . C 1
C12C C 0.3735(2) -0.3669(3) 0.0531(3) 0.0449(12) Uani 1 1 d . U . C 1
H12A H 0.356588 -0.418578 0.030554 0.067 Uiso 1 1 calc R U . C 1
H12B H 0.351582 -0.314540 0.042461 0.067 Uiso 1 1 calc R U . C 1
H12C H 0.377347 -0.376375 0.102253 0.067 Uiso 1 1 calc R U . C 1
C11C C 0.42829(17) -0.3531(3) 0.0280(2) 0.0309(9) Uani 1 1 d . U . C 1
H11A H 0.449605 -0.407390 0.036888 0.037 Uiso 1 1 calc R U . C 1
H11B H 0.424072 -0.343691 -0.021746 0.037 Uiso 1 1 calc R U . C 1
C10C C 0.45792(15) -0.2762(3) 0.06099(19) 0.0223(8) Uani 1 1 d . U . C 1
C9C C 0.4987(2) -0.3648(4) 0.2214(3) 0.0468(12) Uani 1 1 d . U . C 1
H9CA H 0.517931 -0.412415 0.246600 0.070 Uiso 1 1 calc R U . C 1
H9CB H 0.460927 -0.379699 0.214563 0.070 Uiso 1 1 calc R U . C 1
H9CC H 0.503193 -0.309709 0.247305 0.070 Uiso 1 1 calc R U . C 1
C8C C 0.52065(18) -0.3532(3) 0.1528(2) 0.0321(9) Uani 1 1 d . U . C 1
H8CA H 0.559563 -0.344967 0.160046 0.038 Uiso 1 1 calc R U . C 1
H8CB H 0.513871 -0.407795 0.125875 0.038 Uiso 1 1 calc R U . C 1
C7C C 0.54786(14) -0.1584(3) 0.17674(18) 0.0213(7) Uani 1 1 d . U . C 1
H7C H 0.567571 -0.202596 0.202084 0.026 Uiso 1 1 calc R U . C 1
C6C C 0.5867(2) -0.1448(3) 0.3493(2) 0.0407(11) Uani 1 1 d . U . C 1
H6CA H 0.607042 -0.184300 0.381168 0.061 Uiso 1 1 calc R U . C 1
H6CB H 0.558042 -0.178059 0.324202 0.061 Uiso 1 1 calc R U . C 1
H6CC H 0.571505 -0.096812 0.374543 0.061 Uiso 1 1 calc R U . C 1
C5C C 0.62302(17) -0.1065(3) 0.3000(2) 0.0329(10) Uani 1 1 d . U . C 1
H5CA H 0.652440 -0.074604 0.325802 0.040 Uiso 1 1 calc R U . C 1
H5CB H 0.638645 -0.155439 0.275230 0.040 Uiso 1 1 calc R U . C 1
C4C C 0.59492(15) -0.0444(3) 0.24940(19) 0.0243(8) Uani 1 1 d . U . C 1
C3C C 0.49705(15) -0.2768(3) 0.1131(2) 0.0229(8) Uani 1 1 d . U . C 1
C2C C 0.51034(14) -0.1854(2) 0.12659(18) 0.0188(7) Uani 1 1 d . U . C 1
C1C C 0.55884(14) -0.0717(3) 0.19274(18) 0.0201(7) Uani 1 1 d . U . C 1
N1C N 0.53606(17) 0.000000 0.1588(2) 0.0172(9) Uani 1 2 d S T P C 1
C1E C 0.1213(4) 0.000000 0.6962(5) 0.070(2) Uani 1 2 d S TU P D 5
H1E H 0.084276 0.000000 0.682794 0.084 Uiso 1 2 calc R U P D 5
C2E C 0.1387(3) 0.000000 0.7625(4) 0.0541(18) Uani 1 2 d S TU P D 5
H2E H 0.113963 0.000000 0.795861 0.065 Uiso 1 2 calc R U P D 5
C3E C 0.1921(3) 0.000000 0.7819(4) 0.0473(16) Uani 1 2 d S TU P D 5
H3E H 0.204343 0.000000 0.828711 0.057 Uiso 1 2 calc R U P D 5
C4E C 0.2281(3) 0.000000 0.7336(4) 0.0479(16) Uani 1 2 d S TU P D 5
H4E H 0.265067 0.000000 0.747134 0.057 Uiso 1 2 calc R U P D 5
C5E C 0.2105(4) 0.000000 0.6668(4) 0.0560(19) Uani 1 2 d S TU P D 5
H5E H 0.235126 0.000000 0.633333 0.067 Uiso 1 2 calc R U P D 5
C6E C 0.1569(4) 0.000000 0.6475(4) 0.072(2) Uani 1 2 d S TU P D 5
H6E H 0.144449 0.000000 0.600752 0.086 Uiso 1 2 calc R U P D 5
C1F C 0.0249(7) -0.2259(13) 0.4727(12) 0.085(4) Uani 0.25 1 d G U P E -6
H1F H 0.049508 -0.272606 0.468882 0.102 Uiso 0.25 1 calc R U P E -6
C2F C -0.0034(8) -0.2203(14) 0.5295(12) 0.083(4) Uani 0.25 1 d G U P E -6
H2F H 0.001842 -0.263147 0.564503 0.099 Uiso 0.25 1 calc R U P E -6
C3F C -0.0394(8) -0.1520(16) 0.5350(11) 0.082(4) Uani 0.25 1 d G U P E -6
H3F H -0.058774 -0.148136 0.573861 0.098 Uiso 0.25 1 calc R U P E -6
C4F C -0.0471(8) -0.0893(13) 0.4838(12) 0.087(4) Uani 0.25 1 d G U P E -6
H4F H -0.071724 -0.042585 0.487598 0.105 Uiso 0.25 1 calc R U P E -6
C5F C -0.0188(9) -0.0949(15) 0.4270(11) 0.090(4) Uani 0.25 1 d G U P E -6
H5F H -0.024059 -0.052043 0.391976 0.108 Uiso 0.25 1 calc R U P E -6
C6F C 0.0172(9) -0.1632(16) 0.4214(10) 0.084(4) Uani 0.25 1 d G U P E -6
H6F H 0.036557 -0.167053 0.382618 0.101 Uiso 0.25 1 calc R U P E -6
C1G C 0.0544(11) -0.132(2) 0.5108(13) 0.081(4) Uani 0.25 1 d G U P F -7
H1G H 0.091913 -0.126102 0.512343 0.098 Uiso 0.25 1 calc R U P F -7
C2G C 0.0242(12) -0.135(2) 0.4486(12) 0.085(4) Uani 0.25 1 d G U P F -7
H2G H 0.040922 -0.131779 0.407633 0.102 Uiso 0.25 1 calc R U P F -7
C3G C -0.0307(12) -0.144(2) 0.4463(13) 0.086(4) Uani 0.25 1 d G U P F -7
H3G H -0.051368 -0.146044 0.403774 0.103 Uiso 0.25 1 calc R U P F -7
C4G C -0.0552(11) -0.149(2) 0.5062(14) 0.083(4) Uani 0.25 1 d G U P F -7
H4G H -0.092667 -0.154631 0.504626 0.100 Uiso 0.25 1 calc R U P F -7
C5G C -0.0249(11) -0.145(2) 0.5684(13) 0.081(4) Uani 0.25 1 d G U P F -7
H5G H -0.041678 -0.148954 0.609338 0.097 Uiso 0.25 1 calc R U P F -7
C6G C 0.0299(11) -0.137(2) 0.5707(12) 0.079(4) Uani 0.25 1 d G U P F -7
H6G H 0.050612 -0.134689 0.613197 0.095 Uiso 0.25 1 calc R U P F -7
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
Er Er -0.2586 4.9576 '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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Er17 N1 Er11 39.5(12) . .
Er17 N1 Er11 71.7(10) 6 .
Er17 N1 Er13 81.4(10) . .
Er17 N1 Er13 132.0(11) 6 .
Er11 N1 Er13 120.5(11) . .
Er11 N1 Er13 149.6(10) 6 .
Er17 N1 Er14 79.1(9) . .
Er17 N1 Er14 79.1(9) 6 .
Er11 N1 Er14 43.7(10) . .
Er11 N1 Er14 43.7(10) 6 .
Er13 N1 Er14 144.2(7) . .
Er13 N1 Er14 144.2(7) 6 .
Er17 N1 Er5 47.3(9) . .
Er17 N1 Er5 47.3(9) 6 .
Er11 N1 Er5 30.4(8) . .
Er11 N1 Er5 30.4(8) 6 .
Er13 N1 Er5 119.1(9) . .
Er13 N1 Er5 119.1(9) 6 .
Er14 N1 Er5 65.1(10) . .
Er17 N1 Er16 57.2(11) . .
Er17 N1 Er16 109.2(12) 6 .
Er11 N1 Er16 95.8(12) . .
Er11 N1 Er16 118.6(10) 6 .
Er13 N1 Er16 31.1(9) . .
Er13 N1 Er16 79.5(9) 6 .
Er14 N1 Er16 135.4(9) . .
Er5 N1 Er16 88.2(9) . .
Er17 N1 Er12 89.2(8) . .
Er17 N1 Er12 104.1(8) 6 .
Er11 N1 Er12 125.9(9) . .
Er11 N1 Er12 134.2(9) 6 .
Er13 N1 Er12 28.9(7) . .
Er13 N1 Er12 47.4(8) 6 .
Er14 N1 Er12 168.1(5) . .
Er5 N1 Er12 108.3(7) . .
Er16 N1 Er12 32.7(7) . .
Er16 N1 Er12 50.9(9) 6 .
Er11 Er1 Er4 50(2) . .
Er11 Er1 Er4 124(3) 6 .
Er11 Er1 Er5 86(3) . .
Er11 Er1 Er5 86(3) 6 .
Er4 Er1 Er5 39.3(9) . .
Er4 Er1 Er5 39.3(9) 6 .
Er11 Er1 Er8 85(3) . .
Er11 Er1 Er8 85(3) 6 .
Er4 Er1 Er8 133.9(11) . .
Er4 Er1 Er8 133.9(11) 6 .
Er5 Er1 Er8 151.8(12) . .
Er11 Er1 Er14 82(3) . .
Er11 Er1 Er14 82(3) 6 .
Er4 Er1 Er14 128.4(13) . .
Er4 Er1 Er14 128.4(13) 6 .
Er5 Er1 Er14 141.4(15) . .
Er8 Er1 Er14 10.3(16) . .
Er11 Er1 Er17 29(3) . .
Er11 Er1 Er17 124(2) 6 .
Er4 Er1 Er17 29.6(13) . .
Er4 Er1 Er17 95.0(12) 6 .
Er5 Er1 Er17 58.8(9) . .
Er8 Er1 Er17 105.5(9) . .
Er14 Er1 Er17 99.0(11) . .
Er11 Er1 N1 72(2) . .
Er11 Er1 N1 72(2) 6 .
Er4 Er1 N1 79.3(8) . .
Er4 Er1 N1 79.3(8) 6 .
Er5 Er1 N1 74.3(10) . .
Er8 Er1 N1 77.4(7) . .
Er14 Er1 N1 67.1(11) . .
Er17 Er1 N1 58.5(7) . .
Er17 Er1 N1 58.5(7) 6 .
Er11 Er1 Er15 27(2) . .
Er11 Er1 Er15 120(2) 6 .
Er4 Er1 Er15 69.0(11) . .
Er4 Er1 Er15 124.3(9) 6 .
Er5 Er1 Er15 96.3(9) . .
Er8 Er1 Er15 65.4(7) . .
Er14 Er1 Er15 59.5(8) . .
Er17 Er1 Er15 40.2(9) . .
Er17 Er1 Er15 109.9(8) 6 .
N1 Er1 Er15 51.7(5) . .
Er3 Er2 Er9 96.4(12) . .
Er3 Er2 Er13 147.9(11) . .
Er9 Er2 Er13 61.6(13) . .
Er3 Er2 Er10 25.7(10) . .
Er9 Er2 Er10 115.6(12) . .
Er13 Er2 Er10 142.1(9) . .
Er3 Er2 Er16 115.5(11) . .
Er9 Er2 Er16 26.7(13) . .
Er13 Er2 Er16 36.7(15) . .
Er10 Er2 Er16 126.0(10) . .
Er3 Er2 Er15 25.4(8) . .
Er9 Er2 Er15 77.1(12) . .
Er13 Er2 Er15 122.5(12) . .
Er10 Er2 Er15 38.4(10) . .
Er16 Er2 Er15 91.6(11) . .
Er3 Er2 Er12 139.3(6) . .
Er9 Er2 Er12 61.9(11) . .
Er13 Er2 Er12 10.2(7) . .
Er10 Er2 Er12 132.0(6) . .
Er16 Er2 Er12 35.4(8) . .
Er15 Er2 Er12 114.3(7) . .
Er3 Er2 N1 82.3(4) . .
Er9 Er2 N1 77.3(6) . .
Er13 Er2 N1 70.6(7) . .
Er10 Er2 N1 72.1(5) . .
Er16 Er2 N1 64.3(6) . .
Er15 Er2 N1 62.1(6) . .
Er12 Er2 N1 60.4(3) . .
Er3 Er2 Er17 66.1(8) . .
Er9 Er2 Er17 40.5(9) . .
Er13 Er2 Er17 83.0(13) . .
Er10 Er2 Er17 77.7(9) . .
Er16 Er2 Er17 50.1(10) . .
Er15 Er2 Er17 41.5(9) . .
Er12 Er2 Er17 76.8(7) . .
N1 Er2 Er17 49.3(6) . .
Er3 Er2 Er6 67.8(7) . .
Er9 Er2 Er6 128.2(6) . .
Er13 Er2 Er6 106.0(10) . .
Er10 Er2 Er6 42.8(8) . .
Er16 Er2 Er6 116.0(7) . .
Er15 Er2 Er6 69.2(7) . .
Er12 Er2 Er6 97.7(3) . .
N1 Er2 Er6 52.5(2) . .
Er17 Er2 Er6 90.7(6) . .
Er12 Er2 Er6 85.4(3) 6 .
Er3 Er2 Er18 120.4(10) . .
Er9 Er2 Er18 47.8(11) . .
Er13 Er2 Er18 27.5(13) . .
Er10 Er2 Er18 119.7(9) . .
Er16 Er2 Er18 22.2(9) . .
Er15 Er2 Er18 95.0(10) . .
Er12 Er2 Er18 20.2(8) . .
N1 Er2 Er18 48.9(6) . .
Er17 Er2 Er18 56.6(10) . .
Er12 Er2 Er18 24.1(7) 6 .
Er6 Er2 Er18 96.7(4) . .
Er10 Er3 Er2 128(2) . .
Er10 Er3 Er7 94(2) . .
Er2 Er3 Er7 37.0(10) . .
Er10 Er3 Er9 149.6(12) . .
Er2 Er3 Er9 42.6(5) . .
Er7 Er3 Er9 78.9(12) . .
Er10 Er3 Er15 66.6(18) . .
Er2 Er3 Er15 141.1(11) . .
Er7 Er3 Er15 146.9(12) . .
Er9 Er3 Er15 104.6(13) . .
Er10 Er3 Er13 127.5(17) . .
Er2 Er3 Er13 18.9(7) . .
Er7 Er3 Er13 49.2(14) . .
Er9 Er3 Er13 31.3(10) . .
Er15 Er3 Er13 122.3(12) . .
Er10 Er3 N1 77.7(10) . .
Er2 Er3 N1 78.3(5) . .
Er7 Er3 N1 80.3(6) . .
Er9 Er3 N1 72.1(5) . .
Er15 Er3 N1 70.0(8) . .
Er13 Er3 N1 62.6(5) . .
Er10 Er3 Er16 135.6(12) . .
Er2 Er3 Er16 46.9(8) . .
Er7 Er3 Er16 79.6(14) . .
Er9 Er3 Er16 14.3(7) . .
Er15 Er3 Er16 96.1(12) . .
Er13 Er3 Er16 30.5(10) . .
N1 Er3 Er16 57.9(6) . .
Er10 Er3 Er17 102.8(15) . .
Er2 Er3 Er17 97.6(9) . .
Er7 Er3 Er17 123.4(11) . .
Er9 Er3 Er17 60.1(9) . .
Er15 Er3 Er17 45.0(11) . .
Er13 Er3 Er17 79.4(10) . .
N1 Er3 Er17 52.1(6) . .
Er16 Er3 Er17 51.2(9) . .
Er10 Er3 Er6 33.3(15) . .
Er2 Er3 Er6 96.3(8) . .
Er7 Er3 Er6 67.0(12) . .
Er9 Er3 Er6 120.1(6) . .
Er15 Er3 Er6 83.8(10) . .
Er13 Er3 Er6 94.3(8) . .
N1 Er3 Er6 55.3(2) . .
Er16 Er3 Er6 108.3(6) . .
Er17 Er3 Er6 100.3(6) . .
Er10 Er3 Er12 120.6(13) . .
Er2 Er3 Er12 30.3(5) . .
Er7 Er3 Er12 55.0(11) . .
Er9 Er3 Er12 32.9(6) . .
Er15 Er3 Er12 111.3(9) . .
Er13 Er3 Er12 12.0(5) . .
N1 Er3 Er12 50.9(3) . .
Er16 Er3 Er12 26.4(6) . .
Er17 Er3 Er12 70.4(7) . .
Er6 Er3 Er12 88.2(3) . .
Er10 Er3 Er11 78.1(14) . .
Er2 Er3 Er11 110.6(7) . .
Er7 Er3 Er11 121.9(8) . .
Er9 Er3 Er11 81.2(8) . .
Er15 Er3 Er11 31.3(10) . .
Er13 Er3 Er11 91.8(8) . .
N1 Er3 Er11 41.6(5) . .
Er16 Er3 Er11 69.5(8) . .
Er17 Er3 Er11 25.0(8) . .
Er6 Er3 Er11 77.7(6) . .
Er12 Er3 Er11 80.4(5) . .
Er5 Er4 Er11 129(6) . .
Er5 Er4 Er1 80(3) . .
Er11 Er4 Er1 55(3) . .
Er5 Er4 Er17 119(3) . .
Er11 Er4 Er17 83(4) . .
Er1 Er4 Er17 132.7(17) . .
Er4 Er4 Er17 137.5(11) 6 .
Er5 Er4 Er8 99(3) . .
Er11 Er4 Er8 31(4) . .
Er1 Er4 Er8 25.2(7) . .
Er4 Er4 Er8 71.8(5) 6 .
Er17 Er4 Er8 108.5(13) . .
Er11 Er4 Er8 43.6(16) 6 .
Er5 Er4 Er14 101(3) . .
Er11 Er4 Er14 28(3) . .
Er1 Er4 Er14 34.1(9) . .
Er4 Er4 Er14 75.9(4) 6 .
Er17 Er4 Er14 98.8(13) . .
Er11 Er4 Er14 47.9(15) 6 .
Er8 Er4 Er14 10.5(8) . .
Er5 Er4 N1 77(2) . .
Er11 Er4 N1 72(3) . .
Er1 Er4 N1 79.4(8) . .
Er4 Er4 N1 76.5(4) 6 .
Er17 Er4 N1 65.5(11) . .
Er11 Er4 N1 67.5(12) 6 .
Er8 Er4 N1 68.2(6) . .
Er14 Er4 N1 59.1(8) . .
Er17 Er4 N1 55.5(7) 6 .
Er5 Er4 Er15 131(3) . .
Er11 Er4 Er15 44(3) . .
Er1 Er4 Er15 93.5(11) . .
Er4 Er4 Er15 125.2(6) 6 .
Er17 Er4 Er15 40.5(13) . .
Er11 Er4 Er15 102.6(15) 6 .
Er8 Er4 Er15 68.5(7) . .
Er14 Er4 Er15 59.5(7) . .
Er17 Er4 Er15 108.9(9) 6 .
N1 Er4 Er15 54.5(5) . .
Er5 Er4 Er16 86(3) . .
Er11 Er4 Er16 100(3) . .
Er1 Er4 Er16 125.6(10) . .
Er4 Er4 Er16 105.1(6) 6 .
Er17 Er4 Er16 33.5(13) . .
Er11 Er4 Er16 109.9(14) 6 .
Er8 Er4 Er16 111.2(8) . .
Er14 Er4 Er16 100.9(9) . .
Er17 Er4 Er16 81.4(9) 6 .
N1 Er4 Er16 46.2(5) . .
Er15 Er4 Er16 59.1(9) . .
Er4 Er5 Er1 61(3) . .
Er4 Er5 Er1 61(3) 6 .
Er4 Er5 Er11 27(3) . .
Er4 Er5 Er11 98(4) 6 .
Er1 Er5 Er11 38.4(16) . .
Er11 Er5 Er11 73(3) 6 .
Er4 Er5 Er17 43(3) . .
Er4 Er5 Er17 145(3) 6 .
Er1 Er5 Er17 93.4(12) . .
Er11 Er5 Er17 118.7(18) 6 .
Er11 Er5 Er17 55.6(19) . .
Er17 Er5 Er17 124.1(17) 6 .
Er4 Er5 Er8 62(3) . .
Er4 Er5 Er8 62(3) 6 .
Er1 Er5 Er8 14.6(6) . .
Er11 Er5 Er8 36.3(16) 6 .
Er11 Er5 Er8 36.3(16) . .
Er17 Er5 Er8 86.6(11) 6 .
Er17 Er5 Er8 86.6(11) . .
Er4 Er5 N1 88(2) . .
Er4 Er5 N1 88(2) 6 .
Er1 Er5 N1 81.4(11) . .
Er11 Er5 N1 72.2(13) 6 .
Er11 Er5 N1 72.2(13) . .
Er17 Er5 N1 63.2(9) 6 .
Er17 Er5 N1 63.2(9) . .
Er8 Er5 N1 66.8(7) . .
Er4 Er5 Er14 65(3) . .
Er4 Er5 Er14 65(3) 6 .
Er1 Er5 Er14 24.2(9) . .
Er11 Er5 Er14 37.5(15) 6 .
Er11 Er5 Er14 37.5(15) . .
Er17 Er5 Er14 82.2(11) 6 .
Er17 Er5 Er14 82.2(11) . .
Er8 Er5 Er14 9.6(9) . .
N1 Er5 Er14 57.2(8) . .
Er4 Er5 Er18 111(3) . .
Er4 Er5 Er18 111(3) 6 .
Er1 Er5 Er18 133.0(15) . .
Er11 Er5 Er18 113.3(16) 6 .
Er11 Er5 Er18 113.3(16) . .
Er17 Er5 Er18 67.6(10) 6 .
Er17 Er5 Er18 67.6(10) . .
Er8 Er5 Er18 118.4(11) . .
N1 Er5 Er18 51.6(9) . .
Er14 Er5 Er18 108.8(12) . .
Er10 Er6 N1 62.8(4) . .
Er10 Er6 N1 62.8(4) 6 .
Er10 Er6 Er7 29.1(6) . .
Er10 Er6 Er7 109.5(7) 6 .
N1 Er6 Er7 59.0(3) . .
Er7 Er6 Er7 85.9(7) 6 .
Er10 Er6 Er3 11.7(5) . .
Er10 Er6 Er3 115.7(6) 6 .
N1 Er6 Er3 55.51(19) . .
Er7 Er6 Er3 98.1(5) 6 .
Er7 Er6 Er3 19.1(2) . .
Er10 Er6 Er14 76.6(7) . .
Er10 Er6 Er14 76.6(7) 6 .
N1 Er6 Er14 51.7(8) . .
Er7 Er6 Er14 95.1(6) 6 .
Er7 Er6 Er14 95.1(6) . .
Er3 Er6 Er14 79.4(5) . .
Er3 Er6 Er14 79.4(5) 6 .
Er10 Er6 Er2 27.3(6) . .
Er10 Er6 Er2 105.4(6) 6 .
N1 Er6 Er2 51.8(2) . .
Er7 Er6 Er2 84.0(4) 6 .
Er7 Er6 Er2 7.6(3) . .
Er3 Er6 Er2 15.88(15) . .
Er3 Er6 Er2 94.3(3) 6 .
Er14 Er6 Er2 87.9(6) . .
Er10 Er6 Er15 25.2(7) . .
Er10 Er6 Er15 111.5(7) 6 .
N1 Er6 Er15 50.8(5) . .
Er7 Er6 Er15 108.4(6) 6 .
Er7 Er6 Er15 48.7(6) . .
Er3 Er6 Er15 30.0(6) . .
Er3 Er6 Er15 106.0(5) 6 .
Er14 Er6 Er15 51.5(6) . .
Er2 Er6 Er15 43.4(6) . .
Er2 Er6 Er15 101.9(5) 6 .
Er3 Er7 Er10 39.6(11) . .
Er3 Er7 Er9 61.1(11) . .
Er10 Er7 Er9 96.5(12) . .
Er3 Er7 Er13 103.0(16) . .
Er10 Er7 Er13 129.9(13) . .
Er9 Er7 Er13 43.3(10) . .
Er3 Er7 Er15 20.8(8) . .
Er10 Er7 Er15 30.3(12) . .
Er9 Er7 Er15 66.5(9) . .
Er13 Er7 Er15 101.5(12) . .
Er3 Er7 Er16 79.0(14) . .
Er10 Er7 Er16 107.5(13) . .
Er9 Er7 Er16 22.4(10) . .
Er13 Er7 Er16 24.2(12) . .
Er15 Er7 Er16 78.0(10) . .
Er3 Er7 N1 78.3(6) . .
Er10 Er7 N1 72.6(7) . .
Er9 Er7 N1 70.0(6) . .
Er13 Er7 N1 66.2(7) . .
Er15 Er7 N1 59.9(6) . .
Er16 Er7 N1 57.6(6) . .
Er3 Er7 Er12 108.1(13) . .
Er10 Er7 Er12 126.2(9) . .
Er9 Er7 Er12 52.7(9) . .
Er13 Er7 Er12 13.9(8) . .
Er15 Er7 Er12 101.6(8) . .
Er16 Er7 Er12 30.8(7) . .
N1 Er7 Er12 56.4(4) . .
Er3 Er7 Er6 93.9(13) . .
Er10 Er7 Er6 57.1(12) . .
Er9 Er7 Er6 126.2(7) . .
Er13 Er7 Er6 116.4(8) . .
Er15 Er7 Er6 75.9(8) . .
Er16 Er7 Er6 115.4(6) . .
N1 Er7 Er6 58.1(3) . .
Er12 Er7 Er6 102.8(4) . .
Er3 Er7 Er17 43.1(9) . .
Er10 Er7 Er17 64.6(11) . .
Er9 Er7 Er17 37.5(7) . .
Er13 Er7 Er17 66.0(10) . .
Er15 Er7 Er17 35.5(8) . .
Er16 Er7 Er17 42.9(8) . .
N1 Er7 Er17 43.8(5) . .
Er12 Er7 Er17 66.9(7) . .
Er6 Er7 Er17 90.9(6) . .
Er12 Er7 Er17 70.4(6) 6 .
Er14 Er8 Er1 152(5) . .
Er14 Er8 Er11 128(3) . .
Er1 Er8 Er11 37.1(14) . .
Er14 Er8 Er4 138(4) . .
Er1 Er8 Er4 20.8(6) . .
Er11 Er8 Er4 17.0(15) . .
Er11 Er8 Er4 53.3(15) 6 .
Er14 Er8 Er5 138(4) . .
Er1 Er8 Er5 13.7(6) . .
Er11 Er8 Er5 35.1(14) . .
Er11 Er8 Er5 35.1(14) 6 .
Er4 Er8 Er5 18.5(5) . .
Er4 Er8 Er5 18.5(5) 6 .
Er14 Er8 N1 75(4) . .
Er1 Er8 N1 77.0(8) . .
Er11 Er8 N1 69.1(13) . .
Er11 Er8 N1 69.1(13) 6 .
Er4 Er8 N1 67.9(6) . .
Er4 Er8 N1 67.9(6) 6 .
Er5 Er8 N1 63.3(7) . .
Er14 Er8 Er17 109(3) . .
Er1 Er8 Er17 51.6(8) . .
Er11 Er8 Er17 20.3(13) . .
Er11 Er8 Er17 76.7(17) 6 .
Er4 Er8 Er17 31.2(9) . .
Er4 Er8 Er17 61.9(10) 6 .
Er5 Er8 Er17 44.1(8) . .
N1 Er8 Er17 52.3(6) . .
Er14 Er8 Er15 71(2) . .
Er1 Er8 Er15 93.4(8) . .
Er11 Er8 Er15 58.6(13) . .
Er11 Er8 Er15 113.5(16) 6 .
Er4 Er8 Er15 72.8(8) . .
Er4 Er8 Er15 101.8(9) 6 .
Er5 Er8 Er15 85.2(8) . .
N1 Er8 Er15 55.5(5) . .
Er17 Er8 Er15 41.9(9) . .
Er17 Er8 Er15 104.0(9) 6 .
Er2 Er9 Er13 74(2) . .
Er2 Er9 Er3 41.0(10) . .
Er13 Er9 Er3 111(2) . .
Er2 Er9 Er16 136.0(19) . .
Er13 Er9 Er16 64(2) . .
Er3 Er9 Er16 151.8(12) . .
Er2 Er9 Er7 5.8(5) . .
Er13 Er9 Er7 73(2) . .
Er3 Er9 Er7 40.0(7) . .
Er16 Er9 Er7 133.1(17) . .
Er2 Er9 Er10 41.7(11) . .
Er13 Er9 Er10 105(2) . .
Er3 Er9 Er10 11.8(5) . .
Er16 Er9 Er10 140.3(11) . .
Er7 Er9 Er10 38.9(9) . .
Er2 Er9 Er12 96.6(11) . .
Er13 Er9 Er12 25.4(18) . .
Er3 Er9 Er12 127.7(10) . .
Er16 Er9 Er12 39.7(13) . .
Er7 Er9 Er12 94.4(10) . .
Er10 Er9 Er12 118.2(9) . .
Er2 Er9 Er15 80.7(14) . .
Er13 Er9 Er15 131.7(15) . .
Er3 Er9 Er15 42.1(9) . .
Er16 Er9 Er15 118.1(14) . .
Er7 Er9 Er15 77.9(12) . .
Er10 Er9 Er15 39.1(9) . .
Er12 Er9 Er15 127.4(8) . .
Er2 Er9 Er17 125.7(13) . .
Er13 Er9 Er17 119.2(18) . .
Er3 Er9 Er17 92.1(10) . .
Er16 Er9 Er17 69.7(15) . .
Er7 Er9 Er17 121.0(11) . .
Er10 Er9 Er17 86.5(10) . .
Er12 Er9 Er17 96.7(10) . .
Er15 Er9 Er17 50.3(10) . .
Er2 Er9 N1 82.4(6) . .
Er13 Er9 N1 73.2(8) . .
Er3 Er9 N1 78.1(5) . .
Er16 Er9 N1 74.0(10) . .
Er7 Er9 N1 76.7(6) . .
Er10 Er9 N1 66.4(5) . .
Er12 Er9 N1 64.5(4) . .
Er15 Er9 N1 63.1(7) . .
Er17 Er9 N1 57.4(7) . .
Er2 Er9 Er18 118.8(13) . .
Er13 Er9 Er18 53(2) . .
Er3 Er9 Er18 134.4(8) . .
Er16 Er9 Er18 19.7(12) . .
Er7 Er9 Er18 114.9(11) . .
Er10 Er9 Er18 122.6(8) . .
Er12 Er9 Er18 27.8(10) . .
Er15 Er9 Er18 111.2(11) . .
Er17 Er9 Er18 70.2(13) . .
N1 Er9 Er18 56.7(7) . .
Er3 Er10 Er7 46.9(14) . .
Er3 Er10 Er15 82(2) . .
Er7 Er10 Er15 123(2) . .
Er3 Er10 Er2 26.5(11) . .
Er7 Er10 Er2 22.2(7) . .
Er15 Er10 Er2 101.7(17) . .
Er3 Er10 Er9 18.6(8) . .
Er7 Er10 Er9 44.6(9) . .
Er15 Er10 Er9 78.9(15) . .
Er2 Er10 Er9 22.8(4) . .
Er3 Er10 Er6 135.0(19) . .
Er7 Er10 Er6 93.9(15) . .
Er15 Er10 Er6 114.2(14) . .
Er2 Er10 Er6 109.9(12) . .
Er9 Er10 Er6 119.5(9) . .
Er3 Er10 N1 83.4(11) . .
Er7 Er10 N1 77.7(8) . .
Er15 Er10 N1 72.6(10) . .
Er2 Er10 N1 72.9(6) . .
Er9 Er10 N1 64.9(5) . .
Er6 Er10 N1 64.4(5) . .
Er3 Er10 Er13 37.7(13) . .
Er7 Er10 Er13 27.4(9) . .
Er15 Er10 Er13 97.7(15) . .
Er2 Er10 Er13 16.8(5) . .
Er9 Er10 Er13 24.5(6) . .
Er6 Er10 Er13 97.4(9) . .
N1 Er10 Er13 56.4(5) . .
Er3 Er10 Er17 61.9(14) . .
Er7 Er10 Er17 92.9(13) . .
Er15 Er10 Er17 32.7(12) . .
Er2 Er10 Er17 73.4(9) . .
Er9 Er10 Er17 51.5(8) . .
Er6 Er10 Er17 109.0(8) . .
N1 Er10 Er17 48.6(6) . .
Er13 Er10 Er17 66.0(9) . .
Er3 Er10 Er16 33.9(10) . .
Er7 Er10 Er16 49.7(11) . .
Er15 Er10 Er16 74.5(14) . .
Er2 Er10 Er16 31.4(7) . .
Er9 Er10 Er16 15.5(6) . .
Er6 Er10 Er16 107.2(8) . .
N1 Er10 Er16 49.5(6) . .
Er13 Er10 Er16 23.2(8) . .
Er17 Er10 Er16 43.2(8) . .
Er3 Er10 Er14 117.9(15) . .
Er7 Er10 Er14 125.0(10) . .
Er15 Er10 Er14 52.3(12) . .
Er2 Er10 Er14 118.3(10) . .
Er9 Er10 Er14 103.0(9) . .
Er6 Er10 Er14 61.9(7) . .
N1 Er10 Er14 47.5(7) . .
Er13 Er10 Er14 102.9(9) . .
Er17 Er10 Er14 57.2(9) . .
Er16 Er10 Er14 88.9(9) . .
Er3 Er10 Er11 88.6(15) . .
Er7 Er10 Er11 111.7(11) . .
Er15 Er10 Er11 31.3(11) . .
Er2 Er10 Er11 96.2(9) . .
Er9 Er10 Er11 76.4(8) . .
Er6 Er10 Er11 87.9(8) . .
N1 Er10 Er11 42.8(6) . .
Er13 Er10 Er11 84.6(9) . .
Er17 Er10 Er11 27.0(9) . .
Er16 Er10 Er11 64.8(8) . .
Er14 Er10 Er11 30.4(8) . .
Er4 Er11 Er1 75(3) . .
Er4 Er11 Er5 24(3) . .
Er1 Er11 Er5 55(2) . .
Er4 Er11 Er8 132(5) . .
Er1 Er11 Er8 58(3) . .
Er5 Er11 Er8 109(2) . .
Er4 Er11 Er17 69(4) . .
Er1 Er11 Er17 137(4) . .
Er5 Er11 Er17 83(2) . .
Er8 Er11 Er17 143(2) . .
Er11 Er11 Er17 126.3(15) 6 .
Er4 Er11 Er17 107(2) 6 .
Er4 Er11 Er14 141(4) . .
Er1 Er11 Er14 72(3) . .
Er5 Er11 Er14 117(2) . .
Er8 Er11 Er14 16.8(10) . .
Er11 Er11 Er14 65.3(11) 6 .
Er4 Er11 Er14 93.2(19) 6 .
Er17 Er11 Er14 127(2) . .
Er4 Er11 N1 91(3) . .
Er1 Er11 N1 90(2) . .
Er5 Er11 N1 77.4(15) . .
Er8 Er11 N1 80.1(15) . .
Er11 Er11 N1 71.7(8) 6 .
Er4 Er11 N1 76.5(14) 6 .
Er17 Er11 N1 68.4(13) . .
Er14 Er11 N1 69.5(13) . .
Er4 Er11 Er15 124(4) . .
Er1 Er11 Er15 145(3) . .
Er5 Er11 Er15 130(2) . .
Er8 Er11 Er15 93.6(16) . .
Er11 Er11 Er15 128.5(10) 6 .
Er4 Er11 Er15 138.9(19) 6 .
Er17 Er11 Er15 55.4(16) . .
Er14 Er11 Er15 77.2(13) . .
N1 Er11 Er15 62.7(8) . .
Er4 Er11 Er10 122(3) . .
Er1 Er11 Er10 127(3) . .
Er5 Er11 Er10 118.7(17) . .
Er8 Er11 Er10 84.4(14) . .
Er11 Er11 Er10 110.5(7) 6 .
Er4 Er11 Er10 121.6(16) 6 .
Er17 Er11 Er10 60.0(14) . .
Er14 Er11 Er10 67.6(11) . .
N1 Er11 Er10 45.2(5) . .
Er15 Er11 Er10 18.5(7) . .
Er17 Er11 Er10 98.1(10) 6 .
Er12 Er12 Er13 138.8(13) 6 .
Er12 Er12 Er18 71.3(9) 6 .
Er13 Er12 Er18 128(2) . .
Er12 Er12 Er16 138.6(14) 6 .
Er13 Er12 Er16 59.9(19) . .
Er18 Er12 Er16 72.0(19) . .
Er12 Er12 Er9 143.9(4) 6 .
Er13 Er12 Er9 23.0(14) . .
Er18 Er12 Er9 105.4(14) . .
Er16 Er12 Er9 37.9(14) . .
Er13 Er12 Er9 122.8(8) 6 .
Er16 Er12 Er9 127.4(8) 6 .
Er12 Er12 Er2 131.5(3) 6 .
Er13 Er12 Er2 10.1(8) . .
Er18 Er12 Er2 122.4(15) . .
Er16 Er12 Er2 59.3(15) . .
Er13 Er12 Er2 107.6(9) 6 .
Er16 Er12 Er2 126.0(8) 6 .
Er9 Er12 Er2 21.5(4) . .
Er12 Er12 N1 79.9(3) 6 .
Er13 Er12 N1 72.4(8) . .
Er18 Er12 N1 76.5(15) . .
Er16 Er12 N1 73.5(10) . .
Er13 Er12 N1 64.5(6) 6 .
Er16 Er12 N1 64.5(7) 6 .
Er9 Er12 N1 64.8(4) . .
Er2 Er12 N1 62.3(3) . .
Er12 Er12 Er7 121.3(4) 6 .
Er13 Er12 Er7 17.7(11) . .
Er18 Er12 Er7 128.5(16) . .
Er16 Er12 Er7 70.4(16) . .
Er13 Er12 Er7 97.1(10) 6 .
Er16 Er12 Er7 120.2(9) 6 .
Er9 Er12 Er7 32.9(6) . .
Er2 Er12 Er7 11.7(3) . .
N1 Er12 Er7 59.9(4) . .
Er9 Er13 Er2 44.4(15) . .
Er9 Er13 Er12 132(3) . .
Er2 Er13 Er12 159.7(14) . .
Er9 Er13 Er16 66(2) . .
Er2 Er13 Er16 110(3) . .
Er12 Er13 Er16 67(2) . .
Er9 Er13 Er7 64(2) . .
Er2 Er13 Er7 20.0(8) . .
Er12 Er13 Er7 148.5(18) . .
Er16 Er13 Er7 127(3) . .
Er9 Er13 Er3 37.4(16) . .
Er2 Er13 Er3 13.2(5) . .
Er12 Er13 Er3 148.2(12) . .
Er16 Er13 Er3 99(2) . .
Er7 Er13 Er3 27.8(7) . .
Er12 Er13 Er3 137.8(9) 6 .
Er9 Er13 Er18 104(2) . .
Er2 Er13 Er18 138.6(17) . .
Er12 Er13 Er18 27.5(13) . .
Er16 Er13 Er18 42(2) . .
Er7 Er13 Er18 142.3(13) . .
Er12 Er13 Er18 35.8(9) 6 .
Er3 Er13 Er18 125.4(14) . .
Er9 Er13 N1 80.6(10) . .
Er2 Er13 N1 81.1(9) . .
Er12 Er13 N1 78.7(9) . .
Er16 Er13 N1 77.2(11) . .
Er7 Er13 N1 77.7(9) . .
Er12 Er13 N1 68.1(6) 6 .
Er3 Er13 N1 70.2(7) . .
Er18 Er13 N1 64.7(10) . .
Er9 Er13 Er10 50.3(18) . .
Er2 Er13 Er10 21.1(6) . .
Er12 Er13 Er10 138.7(11) . .
Er16 Er13 Er10 106(2) . .
Er7 Er13 Er10 22.8(7) . .
Er12 Er13 Er10 125.2(9) 6 .
Er3 Er13 Er10 14.8(5) . .
Er18 Er13 Er10 121.9(13) . .
N1 Er13 Er10 60.3(6) . .
Er9 Er13 Er17 42.6(14) . .
Er2 Er13 Er17 74.2(12) . .
Er12 Er13 Er17 92.9(15) . .
Er16 Er13 Er17 42.4(16) . .
Er7 Er13 Er17 86.9(11) . .
Er12 Er13 Er17 94.7(10) 6 .
Er3 Er13 Er17 61.5(9) . .
Er18 Er13 Er17 65.8(14) . .
N1 Er13 Er17 48.5(6) . .
Er10 Er13 Er17 64.6(9) . .
Er13 Er13 Er17 96.5(7) 6 .
Er8 Er14 Er1 18(3) . .
Er8 Er14 Er11 35(3) . .
Er1 Er14 Er11 25.9(11) . .
Er8 Er14 Er4 31(3) . .
Er1 Er14 Er4 17.5(6) . .
Er11 Er14 Er4 11.0(12) . .
Er11 Er14 Er4 38.9(12) 6 .
Er8 Er14 N1 90(4) . .
Er1 Er14 N1 72.1(13) . .
Er11 Er14 N1 66.8(15) . .
Er11 Er14 N1 66.8(15) 6 .
Er4 Er14 N1 62.4(10) . .
Er4 Er14 N1 62.4(10) 6 .
Er8 Er14 Er5 32(4) . .
Er1 Er14 Er5 14.4(7) . .
Er11 Er14 Er5 25.6(11) . .
Er11 Er14 Er5 25.6(11) 6 .
Er4 Er14 Er5 14.6(4) . .
Er4 Er14 Er5 14.6(4) 6 .
N1 Er14 Er5 57.7(10) . .
Er8 Er14 Er15 96(3) . .
Er1 Er14 Er15 86.3(12) . .
Er11 Er14 Er15 61.5(12) . .
Er11 Er14 Er15 103.3(18) 6 .
Er4 Er14 Er15 68.8(10) . .
Er4 Er14 Er15 92.8(13) 6 .
N1 Er14 Er15 58.3(8) . .
Er5 Er14 Er15 78.8(11) . .
Er8 Er14 Er6 144(5) . .
Er1 Er14 Er6 126.8(17) . .
Er11 Er14 Er6 116.1(16) . .
Er11 Er14 Er6 116.1(16) 6 .
Er4 Er14 Er6 115.4(13) . .
Er4 Er14 Er6 115.4(13) 6 .
N1 Er14 Er6 54.7(7) . .
Er5 Er14 Er6 112.4(13) . .
Er15 Er14 Er6 67.2(8) . .
Er15 Er14 Er6 67.2(8) 6 .
Er8 Er14 Er17 59(3) . .
Er1 Er14 Er17 46.8(10) . .
Er11 Er14 Er17 24.8(12) . .
Er11 Er14 Er17 63.9(15) 6 .
Er4 Er14 Er17 29.3(8) . .
Er4 Er14 Er17 53.1(10) 6 .
N1 Er14 Er17 49.0(8) . .
Er5 Er14 Er17 38.8(8) . .
Er15 Er14 Er17 40.1(10) . .
Er15 Er14 Er17 100.3(14) 6 .
Er6 Er14 Er17 92.0(10) . .
Er10 Er15 Er3 31.3(10) . .
Er10 Er15 Er17 124.0(18) . .
Er3 Er15 Er17 101.0(16) . .
Er10 Er15 Er9 62.1(13) . .
Er3 Er15 Er9 33.3(8) . .
Er17 Er15 Er9 68.0(13) . .
Er10 Er15 Er2 39.9(11) . .
Er3 Er15 Er2 13.4(4) . .
Er17 Er15 Er2 88.3(13) . .
Er9 Er15 Er2 22.2(5) . .
Er10 Er15 Er11 130.3(16) . .
Er3 Er15 Er11 128.7(14) . .
Er17 Er15 Er11 41.5(13) . .
Er9 Er15 Er11 102.1(12) . .
Er2 Er15 Er11 115.7(12) . .
Er10 Er15 Er7 26.6(10) . .
Er3 Er15 Er7 12.3(5) . .
Er17 Er15 Er7 99.4(14) . .
Er9 Er15 Er7 35.7(7) . .
Er2 Er15 Er7 13.7(4) . .
Er11 Er15 Er7 120.1(12) . .
Er10 Er15 N1 73.3(10) . .
Er3 Er15 N1 73.5(8) . .
Er17 Er15 N1 61.8(10) . .
Er9 Er15 N1 62.3(7) . .
Er2 Er15 N1 63.1(6) . .
Er11 Er15 N1 58.6(9) . .
Er7 Er15 N1 62.7(6) . .
Er10 Er15 Er14 102.0(15) . .
Er3 Er15 Er14 122.4(13) . .
Er17 Er15 Er14 80.4(15) . .
Er9 Er15 Er14 118.6(11) . .
Er2 Er15 Er14 116.3(10) . .
Er11 Er15 Er14 41.3(12) . .
Er7 Er15 Er14 110.1(10) . .
N1 Er15 Er14 56.5(8) . .
Er10 Er15 Er8 113.2(14) . .
Er3 Er15 Er8 128.4(11) . .
Er17 Er15 Er8 68.0(12) . .
Er9 Er15 Er8 115.9(10) . .
Er2 Er15 Er8 119.5(9) . .
Er11 Er15 Er8 27.8(10) . .
Er7 Er15 Er8 116.4(9) . .
N1 Er15 Er8 56.6(6) . .
Er14 Er15 Er8 13.6(6) . .
Er10 Er15 Er4 128.8(13) . .
Er3 Er15 Er4 119.9(12) . .
Er17 Er15 Er4 29.5(10) . .
Er9 Er15 Er4 90.9(9) . .
Er2 Er15 Er4 106.5(9) . .
Er11 Er15 Er4 12.3(10) . .
Er7 Er15 Er4 113.1(9) . .
N1 Er15 Er4 55.4(6) . .
Er14 Er15 Er4 51.7(9) . .
Er8 Er15 Er4 38.7(6) . .
Er10 Er15 Er1 122.5(13) . .
Er3 Er15 Er1 124.9(11) . .
Er17 Er15 Er1 46.8(11) . .
Er9 Er15 Er1 101.9(9) . .
Er2 Er15 Er1 112.6(8) . .
Er11 Er15 Er1 8.6(9) . .
Er7 Er15 Er1 115.1(8) . .
N1 Er15 Er1 52.5(5) . .
Er14 Er15 Er1 34.1(8) . .
Er8 Er15 Er1 21.2(4) . .
Er4 Er15 Er1 17.6(4) . .
Er13 Er16 Er9 49.6(16) . .
Er13 Er16 Er12 53.6(17) . .
Er9 Er16 Er12 102(2) . .
Er13 Er16 Er18 104(3) . .
Er9 Er16 Er18 144(2) . .
Er12 Er16 Er18 53(2) . .
Er13 Er16 Er2 33.5(16) . .
Er9 Er16 Er2 17.3(7) . .
Er12 Er16 Er2 85.3(16) . .
Er18 Er16 Er2 129(2) . .
Er13 Er16 Er17 115(2) . .
Er9 Er16 Er17 77.5(17) . .
Er12 Er16 Er17 131.0(15) . .
Er18 Er16 Er17 99(2) . .
Er2 Er16 Er17 86.7(14) . .
Er12 Er16 Er17 118.0(13) 6 .
Er13 Er16 N1 71.7(11) . .
Er9 Er16 N1 74.7(9) . .
Er12 Er16 N1 73.8(9) . .
Er18 Er16 N1 73.2(14) . .
Er2 Er16 N1 66.8(7) . .
Er12 Er16 N1 64.7(7) 6 .
Er17 Er16 N1 58.7(8) . .
Er13 Er16 Er3 50.3(18) . .
Er9 Er16 Er3 13.9(6) . .
Er12 Er16 Er3 99.0(16) . .
Er18 Er16 Er3 132.2(16) . .
Er2 Er16 Er3 17.6(4) . .
Er12 Er16 Er3 103.6(11) 6 .
Er17 Er16 Er3 69.3(12) . .
N1 Er16 Er3 61.0(6) . .
Er13 Er16 Er7 28.9(17) . .
Er9 Er16 Er7 24.5(9) . .
Er12 Er16 Er7 78.8(15) . .
Er18 Er16 Er7 121.2(19) . .
Er2 Er16 Er7 7.6(3) . .
Er12 Er16 Er7 85.8(10) 6 .
Er17 Er16 Er7 88.1(13) . .
N1 Er16 Er7 61.4(7) . .
Er3 Er16 Er7 21.4(4) . .
Er4 Er17 Er11 27.3(11) . .
Er4 Er17 Er5 17.9(9) . .
Er11 Er17 Er5 41.1(16) . .
Er4 Er17 Er15 110.0(18) . .
Er11 Er17 Er15 83.0(18) . .
Er5 Er17 Er15 118.3(17) . .
Er4 Er17 Er1 17.7(7) . .
Er11 Er17 Er1 13.9(12) . .
Er5 Er17 Er1 27.8(9) . .
Er15 Er17 Er1 93.0(14) . .
Er4 Er17 Er16 125.3(19) . .
Er11 Er17 Er16 134(2) . .
Er5 Er17 Er16 107.7(16) . .
Er15 Er17 Er16 93.5(17) . .
Er1 Er17 Er16 124.1(14) . .
Er4 Er17 N1 78.6(12) . .
Er11 Er17 N1 72.1(15) . .
Er5 Er17 N1 69.5(10) . .
Er15 Er17 N1 69.7(10) . .
Er1 Er17 N1 66.6(8) . .
Er16 Er17 N1 64.1(9) . .
Er4 Er17 Er9 141.3(16) . .
Er11 Er17 Er9 129.7(18) . .
Er5 Er17 Er9 128.5(14) . .
Er15 Er17 Er9 61.7(13) . .
Er1 Er17 Er9 128.7(11) . .
Er16 Er17 Er9 32.8(9) . .
N1 Er17 Er9 62.9(7) . .
Er4 Er17 Er8 40.3(9) . .
Er11 Er17 Er8 16.5(12) . .
Er5 Er17 Er8 49.3(11) . .
Er15 Er17 Er8 70.1(12) . .
Er1 Er17 Er8 22.9(4) . .
Er16 Er17 Er8 122.6(12) . .
N1 Er17 Er8 58.6(7) . .
Er9 Er17 Er8 113.2(11) . .
Er4 Er17 Er8 41.6(6) 6 .
Er4 Er17 Er3 130.1(15) . .
Er11 Er17 Er3 108.2(16) . .
Er5 Er17 Er3 127.4(13) . .
Er15 Er17 Er3 34.1(10) . .
Er1 Er17 Er3 112.9(10) . .
Er16 Er17 Er3 59.5(11) . .
N1 Er17 Er3 59.1(7) . .
Er9 Er17 Er3 27.8(6) . .
Er4 Er17 Er3 119.3(10) 6 .
Er8 Er17 Er3 92.1(9) . .
Er12 Er18 Er16 54.9(15) . .
Er12 Er18 Er16 91(3) 6 .
Er16 Er18 Er16 132(3) 6 .
Er12 Er18 Er13 24.4(9) . .
Er12 Er18 Er13 57.6(17) 6 .
Er16 Er18 Er13 103(2) 6 .
Er16 Er18 Er13 33.2(15) . .
Er12 Er18 N1 72.0(15) . .
Er12 Er18 N1 72.0(15) 6 .
Er16 Er18 N1 69.1(14) 6 .
Er16 Er18 N1 69.1(14) . .
Er13 Er18 N1 59.3(10) . .
Er13 Er18 N1 59.3(10) 6 .
Er12 Er18 Er9 46.8(8) . .
Er12 Er18 Er9 78.8(17) 6 .
Er16 Er18 Er9 116(2) 6 .
Er16 Er18 Er9 16.2(11) . .
Er13 Er18 Er9 22.5(7) . .
Er13 Er18 Er9 88.2(15) 6 .
N1 Er18 Er9 55.0(7) . .
Er9 Er18 Er9 99.9(14) 6 .
Er12 Er18 Er17 93.7(14) . .
Er12 Er18 Er17 115.3(19) 6 .
Er16 Er18 Er17 112.4(19) 6 .
Er16 Er18 Er17 49.1(16) . .
Er13 Er18 Er17 69.6(11) . .
Er13 Er18 Er17 108.2(14) 6 .
N1 Er18 Er17 49.1(8) . .
Er9 Er18 Er17 101.8(12) 6 .
Er9 Er18 Er17 48.6(8) . .
Er17 Er18 Er17 68.9(15) 6 .
Er12 Er18 Er5 118.8(18) . .
Er12 Er18 Er5 118.8(18) 6 .
Er16 Er18 Er5 85.2(18) 6 .
Er16 Er18 Er5 85.2(18) . .
Er13 Er18 Er5 98.7(12) . .
Er13 Er18 Er5 98.7(12) 6 .
N1 Er18 Er5 49.7(8) . .
Er9 Er18 Er5 81.5(9) 6 .
Er9 Er18 Er5 81.5(9) . .
Er17 Er18 Er5 36.3(8) 6 .
Er17 Er18 Er5 36.3(8) . .
C5 C1 C9 126.8(15) . .
C5 C1 C2 104.3(11) . .
C9 C1 C2 123.7(15) . .
C12 C2 C3 128.5(14) . .
C12 C2 C1 116.4(15) . .
C3 C2 C1 109.8(11) . .
C2 C3 C4 106.0(11) . .
C2 C3 C15 122.4(14) . .
C4 C3 C15 120.1(14) . .
C5 C4 C3 106.0(11) . .
C5 C4 C18 119.6(15) . .
C3 C4 C18 125.8(15) . .
C1 C5 C4 112.7(12) . .
C1 C5 C6 121.4(16) . .
C4 C5 C6 110.0(16) . .
C20 C6 C7 110(2) . .
C20 C6 C5 131(2) . .
C7 C6 C5 111.8(19) . .
C8 C7 C6 123.0(18) . .
C8 C7 C22 121.0(17) . .
C6 C7 C22 108.6(17) . .
C7 C8 C9 126(2) . .
C7 C8 C25 117.3(15) . .
C9 C8 C25 108.0(18) . .
C1 C9 C10 116.5(16) . .
C1 C9 C8 109.7(18) . .
C10 C9 C8 122.7(18) . .
C11 C10 C9 117.7(17) . .
C11 C10 C27 105.4(19) . .
C9 C10 C27 127.6(17) . .
C12 C11 C10 125.9(18) . .
C12 C11 C29 119.0(17) . .
C10 C11 C29 106.3(18) . .
C11 C12 C2 119.5(17) . .
C11 C12 C13 120.0(16) . .
C2 C12 C13 109.1(15) . .
C31 C13 C14 106.5(17) . .
C31 C13 C12 117.1(16) . .
C14 C13 C12 125.4(16) . .
C15 C14 C33 120.0(17) . .
C15 C14 C13 123.0(16) . .
C33 C14 C13 110.3(18) . .
C16 C15 C14 124.8(16) . .
C16 C15 C3 110.7(15) . .
C14 C15 C3 111.5(14) . .
C15 C16 C17 127.8(17) . .
C15 C16 C35 114.6(15) . .
C17 C16 C35 107.2(16) . .
C16 C17 C18 128.2(18) . .
C16 C17 C37 103.7(17) . .
C18 C17 C37 111.7(17) . .
C19 C18 C17 131(2) . .
C19 C18 C4 121(2) . .
C17 C18 C4 104.8(16) . .
C18 C19 C39 123(2) . .
C18 C19 C20 121(2) . .
C39 C19 C20 107.6(16) . .
C6 C20 C21 119.9(19) . .
C6 C20 C19 116.4(19) . .
C21 C20 C19 117.7(16) . .
C41 C21 C20 133.1(17) . .
C41 C21 C22 115.8(14) . .
C20 C21 C22 96.3(13) . .
C23 C22 C7 117.5(14) . .
C23 C22 C21 128.2(13) . .
C7 C22 C21 104.8(14) . .
C24 C23 C22 120.7(16) . .
C24 C23 C43 114.4(17) . .
C22 C23 C43 114.6(14) . .
C23 C24 C25 127(2) . .
C23 C24 C46 117.9(17) . .
C25 C24 C46 107.7(18) . .
C24 C25 C26 104.0(17) . .
C24 C25 C8 116.9(18) . .
C26 C25 C8 129.6(16) . .
C47 C26 C27 116(4) . .
C47 C26 C25 118(4) . .
C27 C26 C25 116.2(15) . .
C28 C27 C26 123.9(17) . .
C28 C27 C10 113.2(19) . .
C26 C27 C10 115.1(15) . .
C27 C28 C29 105(2) . .
C27 C28 C49 120(2) . .
C29 C28 C49 126.4(18) . .
C30 C29 C28 116.3(17) . .
C30 C29 C11 125.5(18) . .
C28 C29 C11 110.4(19) . .
C29 C30 C51 119.6(17) . .
C29 C30 C31 113.1(17) . .
C51 C30 C31 115.3(16) . .
C32 C31 C13 117.3(19) . .
C32 C31 C30 115.0(17) . .
C13 C31 C30 124.8(17) . .
C31 C32 C53 128.5(16) . .
C31 C32 C33 99.9(17) . .
C53 C32 C33 120.4(15) . .
C34 C33 C14 122.3(18) . .
C34 C33 C32 112.4(17) . .
C14 C33 C32 105.7(17) . .
C33 C34 C55 120(2) . .
C33 C34 C35 115.7(17) . .
C55 C34 C35 120.2(16) . .
C34 C35 C36 125.2(15) . .
C34 C35 C16 120.4(15) . .
C36 C35 C16 102.6(15) . .
C37 C36 C57 128(2) . .
C37 C36 C35 111(2) . .
C57 C36 C35 114.8(17) . .
C36 C37 C17 115(2) . .
C36 C37 C38 116(2) . .
C17 C37 C38 119.8(17) . .
C59 C38 C39 118(2) . .
C59 C38 C37 121(2) . .
C39 C38 C37 112(2) . .
C19 C39 C40 128.7(18) . .
C19 C39 C38 121(2) . .
C40 C39 C38 98.2(16) . .
C41 C40 C39 126.5(18) . .
C41 C40 C60 107.8(19) . .
C39 C40 C60 117.5(18) . .
C21 C41 C40 104.0(15) . .
C21 C41 C42 114.3(14) . .
C40 C41 C42 132.4(17) . .
C62 C42 C43 111.5(18) . .
C62 C42 C41 104.0(17) . .
C43 C42 C41 130.2(15) . .
C42 C43 C23 115.7(15) . .
C42 C43 C44 98.9(15) . .
C23 C43 C44 130.5(17) . .
C63 C44 C45 133(2) . .
C63 C44 C43 119(2) . .
C45 C44 C43 100.4(18) . .
C46 C45 C44 135(2) . .
C46 C45 C66 115(2) . .
C44 C45 C66 102.4(17) . .
C45 C46 C47 129(3) . .
C45 C46 C24 119(2) . .
C47 C46 C24 103(3) . .
C48 C47 C26 125(5) . .
C48 C47 C46 119(2) . .
C26 C47 C46 107(6) . .
C67 C48 C47 131(2) . .
C67 C48 C49 102(2) . .
C47 C48 C49 119(2) . .
C28 C49 C50 116.6(17) . .
C28 C49 C48 115.7(19) . .
C50 C49 C48 118.5(19) . .
C51 C50 C49 116.7(17) . .
C51 C50 C69 114.0(18) . .
C49 C50 C69 120.0(19) . .
C50 C51 C30 124.2(17) . .
C50 C51 C52 94.6(18) . .
C30 C51 C52 131.5(17) . .
C71 C52 C53 121.6(19) . .
C71 C52 C51 123(2) . .
C53 C52 C51 110.9(17) . .
C54 C53 C52 106(2) . .
C54 C53 C32 129(2) . .
C52 C53 C32 116.3(16) . .
C53 C54 C73 137(2) . .
C53 C54 C55 110(2) . .
C73 C54 C55 104.1(17) . .
C34 C55 C56 114.0(18) . .
C34 C55 C54 127.6(19) . .
C56 C55 C54 108.6(17) . .
C57 C56 C74 121(2) . .
C57 C56 C55 126.7(18) . .
C74 C56 C55 102.8(16) . .
C56 C57 C36 118.1(17) . .
C56 C57 C58 117.5(16) . .
C36 C57 C58 114.9(14) . .
C59 C58 C76 120(2) . .
C59 C58 C57 118.0(19) . .
C76 C58 C57 111.8(16) . .
C58 C59 C38 122(3) . .
C58 C59 C60 120(2) . .
C38 C59 C60 109(2) . .
C61 C60 C40 127(2) . .
C61 C60 C59 127(2) . .
C40 C60 C59 97.2(19) . .
C60 C61 C62 115(2) . .
C60 C61 C77 112(2) . .
C62 C61 C77 125(2) . .
C42 C62 C61 133(2) . .
C42 C62 C63 110(2) . .
C61 C62 C63 106(2) . .
C64 C63 C44 123(2) . .
C64 C63 C62 130(2) . .
C44 C63 C62 100(2) . .
C63 C64 C78 125.9(19) . .
C63 C64 C65 116(2) . .
C78 C64 C65 108.3(16) . .
C70 C65 C66 119.4(19) . .
C70 C65 C64 116.3(19) . .
C66 C65 C64 117.8(17) . .
C65 C66 C45 126.4(16) . .
C65 C66 C67 103.7(15) . .
C45 C66 C67 121.5(15) . .
C48 C67 C68 155(2) . .
C48 C67 C66 104.2(19) . .
C68 C67 C66 90.1(16) . .
C67 C68 C69 99.1(19) . .
C67 C68 C70 128(2) . .
C69 C68 C70 120.5(18) . .
C71 C69 C68 116.8(18) . .
C71 C69 C50 108.4(19) . .
C68 C69 C50 122.5(19) . .
C65 C70 C80 122(2) . .
C65 C70 C68 97.8(19) . .
C80 C70 C68 127.9(18) . .
C69 C71 C52 99.6(18) . .
C69 C71 C72 118.9(17) . .
C52 C71 C72 128(2) . .
C73 C72 C80 115.5(16) . .
C73 C72 C71 106.6(18) . .
C80 C72 C71 127.5(16) . .
C72 C73 C74 127.0(18) . .
C72 C73 C54 118.8(19) . .
C74 C73 C54 104.0(17) . .
C75 C74 C73 115.0(18) . .
C75 C74 C56 114.6(19) . .
C73 C74 C56 120.4(18) . .
C76 C75 C74 125(2) . .
C76 C75 C79 107.0(18) . .
C74 C75 C79 120.3(16) . .
C75 C76 C58 130(2) . .
C75 C76 C77 102.6(18) . .
C58 C76 C77 119(2) . .
C78 C77 C61 115.5(18) . .
C78 C77 C76 111.7(17) . .
C61 C77 C76 122(2) . .
C78 C77 C79 37.7(10) . .
C61 C77 C79 145.9(14) . .
C76 C77 C79 74.3(14) . .
C79 C78 C64 138.2(18) . .
C79 C78 C77 96.2(18) . .
C64 C78 C77 116.9(16) . .
C78 C79 C80 110.4(18) . .
C78 C79 C75 121.9(18) . .
C80 C79 C75 120.1(17) . .
C78 C79 C77 46.1(14) . .
C80 C79 C77 149.5(16) . .
C75 C79 C77 76.1(11) . .
C79 C80 C70 122.9(19) . .
C79 C80 C72 122.0(18) . .
C70 C80 C72 107.6(15) . .
N1C Ni1C N3C 177.32(17) . .
N1C Ni1C N2C 89.99(9) . 6
N3C Ni1C N2C 89.95(9) . 6
N1C Ni1C N2C 89.99(9) . .
N3C Ni1C N2C 89.95(9) . .
N2C Ni1C N2C 177.59(18) 6 .
C13C N2C C2C 104.3(3) . .
C13C N2C Ni1C 127.8(2) . .
C2C N2C Ni1C 127.9(2) . .
C15C N3C C15C 104.4(4) 6 .
C15C N3C Ni1C 127.7(2) 6 .
C15C N3C Ni1C 127.7(2) . .
C16C C18C C17C 112.2(3) . .
C16C C16C C15C 106.6(2) 6 .
C16C C16C C18C 128.9(2) 6 .
C15C C16C C18C 124.2(4) . .
C14C C15C N3C 125.3(3) . .
C14C C15C C16C 123.5(3) . .
N3C C15C C16C 111.1(3) . .
C15C C14C C13C 124.0(3) . .
N2C C13C C14C 125.1(3) . .
N2C C13C C10C 111.6(3) . .
C14C C13C C10C 123.3(3) . .
C10C C11C C12C 113.3(4) . .
C3C C10C C13C 106.6(3) . .
C3C C10C C11C 128.6(4) . .
C13C C10C C11C 124.8(3) . .
C3C C8C C9C 113.4(4) . .
C2C C7C C1C 124.4(3) . .
C4C C5C C6C 113.0(4) . .
C4C C4C C1C 106.7(2) 6 .
C4C C4C C5C 128.7(2) 6 .
C1C C4C C5C 124.5(4) . .
C10C C3C C2C 106.0(3) . .
C10C C3C C8C 129.1(4) . .
C2C C3C C8C 124.8(3) . .
C7C C2C N2C 124.7(3) . .
C7C C2C C3C 123.7(3) . .
N2C C2C C3C 111.6(3) . .
C7C C1C N1C 125.2(3) . .
C7C C1C C4C 123.7(4) . .
N1C C1C C4C 111.1(3) . .
C1C N1C C1C 104.3(4) . 6
C1C N1C Ni1C 127.8(2) . .
C1C N1C Ni1C 127.8(2) 6 .
C2E C1E C6E 120.4(9) . .
C1E C2E C3E 119.9(8) . .
C2E C3E C4E 120.2(7) . .
C5E C4E C3E 119.8(8) . .
C4E C5E C6E 119.8(8) . .
C5E C6E C1E 119.9(8) . .
C2F C1F C6F 120.0 . .
C1F C2F C3F 120.0 . .
C4F C3F C2F 120.0 . .
C3F C4F C5F 120.0 . .
C6F C5F C4F 120.0 . .
C5F C6F C1F 120.0 . .
C2G C1G C6G 120.0 . .
C1G C2G C3G 120.0 . .
C4G C3G C2G 120.0 . .
C3G C4G C5G 120.0 . .
C4G C5G C6G 120.0 . .
C5G C6G C1G 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N1 Er17 1.88(2) .
N1 Er17 1.88(2) 6
N1 Er11 1.92(2) .
N1 Er11 1.92(2) 6
N1 Er13 1.927(12) .
N1 Er13 1.928(12) 6
N1 Er14 1.96(3) .
N1 Er5 1.973(16) .
N1 Er16 1.979(16) .
N1 Er16 1.979(16) 6
N1 Er12 1.982(9) .
N1 Er12 1.982(9) 6
Er1 Er11 0.64(3) .
Er1 Er11 0.64(3) 6
Er1 Er4 0.748(14) .
Er1 Er4 0.748(14) 6
Er1 Er5 0.84(2) .
Er1 Er8 0.897(15) .
Er1 Er14 1.39(3) .
Er1 Er17 1.81(3) .
Er1 Er17 1.81(3) 6
Er1 Er15 2.47(2) .
Er1 Er15 2.47(2) 6
Er2 Er3 0.685(5) .
Er2 Er9 0.707(13) .
Er2 Er13 0.97(2) .
Er2 Er10 1.213(17) .
Er2 Er16 1.65(3) .
Er2 Er15 1.85(2) .
Er2 Er12 1.917(12) .
Er2 Er17 2.41(2) .
Er2 Er12 2.436(10) 6
Er2 Er6 2.488(8) .
Er2 Er18 2.66(3) .
Er3 Er10 0.665(15) .
Er3 Er7 0.761(9) .
Er3 Er9 1.038(16) .
Er3 Er15 1.27(2) .
Er3 Er13 1.59(2) .
Er3 Er16 2.04(3) .
Er3 Er17 2.22(3) .
Er3 Er6 2.318(8) .
Er3 Er12 2.477(12) .
Er3 Er11 2.89(2) .
Er4 Er5 0.542(12) .
Er4 Er11 0.59(2) .
Er4 Er4 0.95(3) 6
Er4 Er17 1.21(3) .
Er4 Er11 1.22(2) 6
Er4 Er8 1.515(17) .
Er4 Er14 1.95(3) .
Er4 Er17 2.01(3) 6
Er4 Er15 2.31(2) .
Er4 Er16 2.74(2) .
Er5 Er11 1.02(3) 6
Er5 Er11 1.02(3) .
Er5 Er17 1.55(3) 6
Er5 Er17 1.55(3) .
Er5 Er8 1.69(2) .
Er5 Er14 2.12(3) .
Er5 Er18 2.54(4) .
Er5 Er15 2.70(2) 6
Er6 Er10 1.799(17) .
Er6 Er10 1.799(17) 6
Er6 Er7 2.139(15) 6
Er6 Er7 2.139(15) .
Er6 Er14 2.40(3) .
Er6 Er15 2.52(2) .
Er6 Er15 2.52(2) 6
Er7 Er10 1.041(19) .
Er7 Er9 1.163(17) .
Er7 Er13 1.24(3) .
Er7 Er15 1.95(2) .
Er7 Er16 2.05(3) .
Er7 Er12 2.133(18) .
Er7 Er12 2.566(15) 6
Er7 Er17 2.71(3) .
Er7 Er13 2.802(19) 6
Er8 Er14 0.53(2) .
Er8 Er11 1.05(3) .
Er8 Er11 1.05(3) 6
Er8 Er17 2.22(2) .
Er8 Er17 2.22(2) 6
Er8 Er15 2.25(2) .
Er8 Er15 2.25(2) 6
Er9 Er13 0.889(19) .
Er9 Er16 1.07(3) .
Er9 Er10 1.647(19) .
Er9 Er12 1.702(16) .
Er9 Er15 1.83(3) .
Er9 Er17 1.93(3) .
Er9 Er18 2.25(2) .
Er9 Er12 2.303(16) 6
Er10 Er15 1.17(3) .
Er10 Er13 2.07(3) .
Er10 Er17 2.46(3) .
Er10 Er16 2.56(3) .
Er10 Er14 2.64(2) .
Er10 Er11 2.83(2) .
Er11 Er11 1.21(6) 6
Er11 Er17 1.29(4) .
Er11 Er14 1.45(4) .
Er11 Er15 1.93(3) .
Er11 Er17 2.23(3) 6
Er12 Er12 0.70(2) 6
Er12 Er13 0.98(2) .
Er12 Er18 1.09(4) .
Er12 Er16 1.11(2) .
Er12 Er13 1.57(2) 6
Er12 Er16 1.70(3) 6
Er13 Er16 1.05(3) .
Er13 Er18 1.86(4) .
Er13 Er13 2.17(4) 6
Er13 Er17 2.48(3) .
Er14 Er15 2.14(3) .
Er14 Er15 2.14(3) 6
Er14 Er17 2.45(3) .
Er15 Er17 1.60(3) .
Er16 Er18 1.30(3) .
Er16 Er17 1.85(3) .
Er16 Er16 2.37(5) 6
C1 C5 1.356(16) .
C1 C9 1.370(18) .
C1 C2 1.478(13) .
C2 C12 1.369(17) .
C2 C3 1.413(13) .
C3 C4 1.445(13) .
C3 C15 1.535(17) .
C4 C5 1.425(16) .
C4 C18 1.525(19) .
C5 C6 1.46(3) .
C6 C20 1.17(3) .
C6 C7 1.38(3) .
C7 C8 1.36(3) .
C7 C22 1.48(2) .
C8 C9 1.43(2) .
C8 C25 1.53(3) .
C9 C10 1.424(19) .
C10 C11 1.404(18) .
C10 C27 1.45(3) .
C11 C12 1.329(18) .
C11 C29 1.490(18) .
C12 C13 1.496(18) .
C13 C31 1.406(19) .
C13 C14 1.478(18) .
C14 C15 1.380(18) .
C14 C33 1.412(19) .
C15 C16 1.360(17) .
C16 C17 1.378(18) .
C16 C35 1.571(18) .
C17 C18 1.442(19) .
C17 C37 1.53(3) .
C18 C19 1.16(3) .
C19 C39 1.407(18) .
C19 C20 1.557(19) .
C20 C21 1.503(19) .
C21 C41 1.411(18) .
C21 C22 1.552(17) .
C22 C23 1.443(17) .
C23 C24 1.26(3) .
C23 C43 1.484(18) .
C24 C25 1.38(3) .
C24 C46 1.68(3) .
C25 C26 1.48(2) .
C26 C47 1.36(4) .
C26 C27 1.41(2) .
C27 C28 1.39(3) .
C28 C29 1.397(19) .
C28 C49 1.407(18) .
C29 C30 1.365(18) .
C30 C51 1.415(18) .
C30 C31 1.455(18) .
C31 C32 1.399(18) .
C32 C53 1.511(18) .
C32 C33 1.69(3) .
C33 C34 1.406(18) .
C34 C55 1.422(18) .
C34 C35 1.455(18) .
C35 C36 1.479(18) .
C36 C37 1.19(3) .
C36 C57 1.470(18) .
C37 C38 1.56(3) .
C38 C59 1.38(3) .
C38 C39 1.52(3) .
C39 C40 1.473(19) .
C40 C41 1.455(18) .
C40 C60 1.58(3) .
C41 C42 1.496(18) .
C42 C62 1.43(3) .
C42 C43 1.439(18) .
C43 C44 1.56(3) .
C44 C63 1.34(3) .
C44 C45 1.45(3) .
C45 C46 1.16(3) .
C45 C66 1.47(3) .
C46 C47 1.46(8) .
C47 C48 1.34(9) .
C48 C67 1.31(3) .
C48 C49 1.52(3) .
C49 C50 1.424(19) .
C50 C51 1.405(19) .
C50 C69 1.55(3) .
C51 C52 1.496(19) .
C52 C71 1.42(3) .
C52 C53 1.452(19) .
C53 C54 1.24(3) .
C54 C73 1.55(3) .
C54 C55 1.71(3) .
C55 C56 1.505(19) .
C56 C57 1.435(18) .
C56 C74 1.48(3) .
C57 C58 1.54(2) .
C58 C59 1.34(3) .
C58 C76 1.38(3) .
C59 C60 1.60(3) .
C60 C61 1.29(3) .
C61 C62 1.45(3) .
C61 C77 1.55(3) .
C62 C63 1.54(4) .
C63 C64 1.20(3) .
C64 C78 1.39(2) .
C64 C65 1.55(2) .
C65 C70 1.32(3) .
C65 C66 1.38(3) .
C66 C67 1.75(3) .
C67 C68 1.35(3) .
C68 C69 1.429(19) .
C68 C70 1.443(19) .
C69 C71 1.406(19) .
C70 C80 1.42(2) .
C71 C72 1.483(18) .
C72 C73 1.351(18) .
C72 C80 1.447(19) .
C73 C74 1.477(19) .
C74 C75 1.381(18) .
C75 C76 1.24(3) .
C75 C79 1.482(19) .
C76 C77 1.57(3) .
C77 C78 1.46(2) .
C77 C79 2.01(3) .
C78 C79 1.24(3) .
C79 C80 1.371(19) .
Ni1C N1C 1.954(4) .
Ni1C N3C 1.955(4) .
Ni1C N2C 1.964(3) 6
Ni1C N2C 1.964(3) .
N2C C13C 1.371(5) .
N2C C2C 1.377(5) .
N3C C15C 1.375(4) 6
N3C C15C 1.375(4) .
C18C C16C 1.503(5) .
C18C C17C 1.519(6) .
C16C C16C 1.347(8) 6
C16C C15C 1.445(5) .
C15C C14C 1.371(6) .
C14C C13C 1.373(5) .
C13C C10C 1.440(5) .
C12C C11C 1.529(7) .
C11C C10C 1.502(5) .
C10C C3C 1.362(6) .
C9C C8C 1.525(7) .
C8C C3C 1.492(5) .
C7C C2C 1.372(5) .
C7C C1C 1.373(6) .
C6C C5C 1.517(7) .
C5C C4C 1.504(5) .
C4C C4C 1.346(9) 6
C4C C1C 1.440(5) .
C3C C2C 1.443(5) .
C1C N1C 1.376(5) .
C1E C2E 1.346(12) .
C1E C6E 1.378(15) .
C2E C3E 1.371(12) .
C3E C4E 1.379(11) .
C4E C5E 1.357(11) .
C5E C6E 1.374(14) .
C1F C2F 1.3900 .
C1F C6F 1.3900 .
C2F C3F 1.3900 .
C3F C4F 1.3900 .
C4F C5F 1.3900 .
C5F C6F 1.3900 .
C1G C2G 1.3900 .
C1G C6G 1.3900 .
C2G C3G 1.3900 .
C3G C4G 1.3900 .
C4G C5G 1.3900 .
C5G C6G 1.3900 .
