#------------------------------------------------------------------------------
#$Date: 2016-11-08 21:46:14 +0200 (Tue, 08 Nov 2016) $
#$Revision: 188147 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/06/7040609.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_7040609
loop_
_publ_author_name
'Schmitz, Sebastian'
'van Leusen, Jan'
'Izarova, Natalya V.'
'Lan, Yanhua'
'Wernsdorfer, Wolfgang'
'Kögerler, Paul'
'Monakhov, Kirill Yu'
_publ_section_title
;
 Supramolecular 3d-4f single-molecule magnet architectures.
;
_journal_issue                   41
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16148
_journal_page_last               16152
_journal_paper_doi               10.1039/c6dt03392j
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C153.9 H271.8 Cr6 Dy14 N7.5 O147 S4.95'
_chemical_formula_weight         7325.09
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           159
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-06-27 deposited with the CCDC.
2016-09-12 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   23.9817(4)
_cell_length_b                   23.9817(4)
_cell_length_c                   31.9326(4)
_cell_measurement_reflns_used    21711
_cell_measurement_temperature    120.0(1)
_cell_measurement_theta_max      26.0040
_cell_measurement_theta_min      3.1950
_cell_volume                     15904.7(4)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120.0(1)
_diffrn_detector_area_resol_mean 10.4623
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0893
_diffrn_reflns_av_sigmaI/netI    0.0725
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            92526
_diffrn_reflns_theta_full        24.41
_diffrn_reflns_theta_max         24.41
_diffrn_reflns_theta_min         4.11
_exptl_absorpt_coefficient_mu    3.553
_exptl_absorpt_correction_T_max  0.5109
_exptl_absorpt_correction_T_min  0.2905
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Analytical numeric absorption correction using a multifaceted crystal
            model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.530
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7142
_exptl_crystal_preparation       ', Magnetic properties'
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.22
_refine_diff_density_max         4.421
_refine_diff_density_min         -1.046
_refine_diff_density_rms         0.219
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.36(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1058
_refine_ls_number_reflns         17367
_refine_ls_number_restraints     51
_refine_ls_restrained_S_all      1.090
_refine_ls_R_factor_all          0.1314
_refine_ls_R_factor_gt           0.0865
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1196P)²+208.2740P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2054
_refine_ls_wR_factor_ref         0.2467
_reflns_number_gt                12219
_reflns_number_total             17367
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt03392j2.cif
_cod_data_source_block           s1965c
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal'
according to
/usr/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 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7040609--7040611.cif.
;
_cod_original_sg_symbol_H-M      P31C
_cod_original_formula_sum        'C153.90 H271.80 Cr6 Dy14 N7.50 O147 S4.95'
_cod_database_code               7040609
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, z+1/2'
'x-y, -y, z+1/2'
'-x, -x+y, z+1/2'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Dy1 Dy -1.60193(6) 0.21078(6) 1.81622(3) 0.0593(3) Uani 1 1 d .
Dy2 Dy -1.49506(6) 0.12471(5) 1.84697(3) 0.0512(3) Uani 1 1 d .
Dy3 Dy -1.52220(6) 0.33664(6) 2.08218(3) 0.0531(3) Uani 1 1 d .
Dy4 Dy -1.59096(6) 0.14724(6) 2.11272(4) 0.0633(3) Uani 1 1 d .
Dy5 Dy -1.3333 0.3333 2.22922(5) 0.0535(5) Uani 1 3 d S
Dy6 Dy -1.6667 0.6667 2.20184(5) 0.0560(5) Uani 1 3 d S
Cr1 Cr -1.6473(2) 0.07689(19) 1.87304(11) 0.0592(10) Uani 1 1 d .
Cr2 Cr -1.6664(2) 0.2101(2) 2.05855(12) 0.0665(11) Uani 1 1 d .
N1 N -1.7275(10) -0.0125(14) 1.8577(7) 0.083(7) Uani 1 1 d .
O1N1 O -1.5965(9) 0.0430(8) 1.8455(5) 0.064(4) Uani 1 1 d .
O2N1 O -1.6709(8) 0.1019(9) 1.8203(5) 0.077(5) Uani 1 1 d .
C1N1 C -1.7039(17) -0.0463(17) 1.8366(9) 0.100(11) Uani 1 1 d .
H1NA H -1.7349 -0.0731 1.8147 0.119 Uiso 1 1 calc R
H1NB H -1.6991 -0.0755 1.8564 0.119 Uiso 1 1 calc R
C2N1 C -1.6392(14) -0.0014(16) 1.8166(9) 0.087(10) Uani 1 1 d .
H2NA H -1.6207 -0.0270 1.8052 0.104 Uiso 1 1 calc R
H2NB H -1.6454 0.0219 1.7931 0.104 Uiso 1 1 calc R
C3N1 C -1.7668(14) 0.0020(14) 1.8353(12) 0.091(10) Uani 1 1 d .
H3NC H -1.7885 0.0177 1.8544 0.110 Uiso 1 1 calc R
H3ND H -1.8003 -0.0372 1.8211 0.110 Uiso 1 1 calc R
C4N1 C -1.7258(17) 0.0561(15) 1.8014(9) 0.101(12) Uani 1 1 d .
H4NA H -1.7150 0.0369 1.7775 0.121 Uiso 1 1 calc R
H4NB H -1.7509 0.0755 1.7907 0.121 Uiso 1 1 calc R
C5N1 C -1.7630(15) -0.0476(18) 1.8968(12) 0.122(15) Uani 1 1 d .
H5NA H -1.7784 -0.0214 1.9115 0.146 Uiso 1 1 calc R
H5NB H -1.7327 -0.0520 1.9157 0.146 Uiso 1 1 calc R
C6N1 C -1.8224(18) -0.1166(15) 1.8877(14) 0.134(18) Uani 1 1 d .
H6NA H -1.8092 -0.1428 1.8710 0.160 Uiso 1 1 calc R
H6NB H -1.8566 -0.1134 1.8725 0.160 Uiso 1 1 calc R
C7N1 C -1.848(2) -0.149(2) 1.9361(14) 0.15(2) Uani 1 1 d .
H7NA H -1.8178 -0.1611 1.9484 0.179 Uiso 1 1 calc R
H7NB H -1.8505 -0.1173 1.9548 0.179 Uiso 1 1 calc R
C8N1 C -1.916(3) -0.210(3) 1.9314(18) 0.21(3) Uani 1 1 d .
H8NA H -1.9335 -0.2269 1.9592 0.316 Uiso 1 1 calc R
H8NB H -1.9124 -0.2425 1.9151 0.316 Uiso 1 1 calc R
H8NC H -1.9446 -0.1981 1.9168 0.316 Uiso 1 1 calc R
O1X1 O -1.3948(8) 0.1923(8) 1.8090(4) 0.056(4) Uani 1 1 d .
O2X1 O -1.4900(8) 0.2924(8) 1.8027(4) 0.056(4) Uani 1 1 d .
O3X1 O -1.5575(9) 0.3047(9) 1.8612(4) 0.065(5) Uani 1 1 d .
O4X1 O -1.4047(8) 0.1181(7) 1.8744(4) 0.052(4) Uani 1 1 d .
C1X1 C -1.3464(12) 0.1887(10) 1.8181(7) 0.049(6) Uani 1 1 d .
C2X1 C -1.5030(12) 0.3528(12) 1.8543(6) 0.049(6) Uani 1 1 d .
O1G1 O -1.4425(6) 0.2246(7) 1.8805(4) 0.045(3) Uani 1 1 d .
O2G1 O -1.4462(7) 0.3005(7) 1.9201(5) 0.050(4) Uani 1 1 d .
O3G1 O -1.5677(8) 0.1625(8) 1.8719(4) 0.054(4) Uani 1 1 d .
C1G1 C -1.4713(12) 0.2465(10) 1.9043(7) 0.049(5) Uani 1 1 d .
C2G1 C -1.5445(11) 0.2034(11) 1.9099(6) 0.050(6) Uani 1 1 d .
H2GA H -1.5542 0.1763 1.9353 0.060 Uiso 1 1 calc R
H2GB H -1.5653 0.2299 1.9126 0.060 Uiso 1 1 calc R
O1A1 O -1.6773(8) 0.1946(9) 1.8721(5) 0.063(4) Uani 1 1 d .
O2A1 O -1.7007(8) 0.1053(9) 1.9045(5) 0.066(5) Uani 1 1 d .
C1A1 C -1.7067(12) 0.1509(15) 1.8982(7) 0.055(6) Uani 1 1 d .
C2A1 C -1.7532(15) 0.1585(17) 1.9244(9) 0.083(9) Uani 1 1 d .
H2AJ H -1.7732 0.1228 1.9444 0.124 Uiso 1 1 calc R
H2AK H -1.7865 0.1583 1.9065 0.124 Uiso 1 1 calc R
H2AL H -1.7307 0.1994 1.9396 0.124 Uiso 1 1 calc R
O1A2 O -1.6236(9) 0.0524(8) 1.9281(4) 0.066(5) Uani 1 1 d .
O2A2 O -1.5217(7) 0.0855(7) 1.9168(4) 0.054(4) Uani 1 1 d .
C1A2 C -1.5719(12) 0.0526(13) 1.9377(7) 0.057(6) Uani 1 1 d .
C2A2 C -1.5724(16) 0.0203(17) 1.9771(8) 0.083(9) Uani 1 1 d .
H2AG H -1.6161 -0.0022 1.9886 0.124 Uiso 1 1 calc R
H2AH H -1.5433 0.0525 1.9973 0.124 Uiso 1 1 calc R
H2AI H -1.5580 -0.0107 1.9717 0.124 Uiso 1 1 calc R
O1A3 O -1.5860(8) 0.1828(8) 1.7468(5) 0.058(4) Uani 1 1 d .
O2A3 O -1.5304(9) 0.1614(9) 1.7920(5) 0.074(5) Uani 1 1 d .
C1A3 C -1.5486(10) 0.1590(13) 1.7534(7) 0.057(6) Uani 1 1 d .
C2A3 C -1.5242(14) 0.1364(12) 1.7189(8) 0.070(8) Uani 1 1 d .
H2AD H -1.5014 0.1154 1.7304 0.105 Uiso 1 1 calc R
H2AE H -1.4946 0.1731 1.7016 0.105 Uiso 1 1 calc R
H2AF H -1.5604 0.1055 1.7017 0.105 Uiso 1 1 calc R
O1A4 O -1.6035(10) 0.2940(9) 1.7714(5) 0.071(5) Uani 1 1 d .
O2A4 O -1.6932(10) 0.2014(12) 1.7784(6) 0.080(6) Uani 1 1 d .
C1A4 C -1.6640(19) 0.251(2) 1.7620(10) 0.093(10) Uani 1 1 d .
C2A4 C -1.6874(18) 0.277(2) 1.7234(9) 0.120(15) Uani 1 1 d .
H2AA H -1.7248 0.2802 1.7319 0.180 Uiso 1 1 calc R
H2AB H -1.6994 0.2466 1.6998 0.180 Uiso 1 1 calc R
H2AC H -1.6524 0.3191 1.7149 0.180 Uiso 1 1 calc R
O1A5 O -1.4860(9) 0.0530(7) 1.8037(4) 0.061(5) Uani 1 1 d .
O2A5 O -1.4977(11) -0.0342(11) 1.7728(8) 0.103(7) Uani 1 1 d .
C1A5 C -1.4962(14) 0.0000(15) 1.8027(7) 0.069(8) Uani 1 1 d .
C2A5 C -1.5087(16) -0.0368(14) 1.8474(10) 0.085(9) Uani 1 1 d .
C3A5 C -1.506(5) -0.102(5) 1.850(3) 0.07(3) Uiso 0.25 1 d P
S5 S -1.514(4) -0.165(4) 1.813(2) 0.025(17) Uiso 0.05 1 d P
S5A S -1.4911(13) -0.1342(13) 1.8789(8) 0.044(6) Uiso 0.20 1 d P
N2 N -1.7578(8) 0.1964(10) 2.0753(7) 0.066(6) Uani 1 1 d DU
O1N2 O -1.6297(8) 0.2922(9) 2.0866(4) 0.062(4) Uani 1 1 d .
O2N2 O -1.6751(8) 0.1663(10) 2.1107(5) 0.072(5) Uani 1 1 d .
C1N2 C -1.7410(16) 0.2617(14) 2.0949(14) 0.135(14) Uani 1 1 d DU
H1NC H -1.7436 0.2898 2.0732 0.162 Uiso 1 1 calc R
H1ND H -1.7726 0.2549 2.1171 0.162 Uiso 1 1 calc R
C2N2 C -1.6803(16) 0.291(2) 2.1115(14) 0.129(14) Uani 1 1 d DU
H2NC H -1.6823 0.2692 2.1383 0.154 Uiso 1 1 calc R
H2ND H -1.6679 0.3360 2.1183 0.154 Uiso 1 1 calc R
C3N2 C -1.7798(17) 0.143(2) 2.1068(11) 0.142(18) Uani 1 1 d D
H3NA H -1.8110 0.1451 2.1260 0.170 Uiso 1 1 calc R
H3NB H -1.8025 0.1012 2.0918 0.170 Uiso 1 1 calc R
C4N2 C -1.7310(18) 0.145(2) 2.1300(11) 0.120(15) Uani 1 1 d D
H4NC H -1.7241 0.1719 2.1549 0.144 Uiso 1 1 calc R
H4ND H -1.7452 0.1005 2.1401 0.144 Uiso 1 1 calc R
C5N2 C -1.8022(12) 0.1793(14) 2.0393(10) 0.073(8) Uani 1 1 d .
H5NC H -1.7841 0.2159 2.0195 0.087 Uiso 1 1 calc R
H5ND H -1.8039 0.1421 2.0248 0.087 Uiso 1 1 calc R
C6N2 C -1.8693(12) 0.1630(18) 2.0498(14) 0.112(14) Uani 1 1 d .
H6NC H -1.8863 0.1284 2.0711 0.134 Uiso 1 1 calc R
H6ND H -1.8677 0.2013 2.0627 0.134 Uiso 1 1 calc R
C7N2 C -1.912(2) 0.143(3) 2.0168(17) 0.154(19) Uani 1 1 d U
H7NC H -1.9054 0.1117 2.0008 0.185 Uiso 1 1 calc R
H7ND H -1.8978 0.1812 1.9984 0.185 Uiso 1 1 calc R
C8N2 C -1.981(2) 0.115(2) 2.021(3) 0.22(3) Uani 1 1 d U
H8ND H -2.0010 0.1077 1.9935 0.329 Uiso 1 1 calc R
H8NE H -1.9905 0.1444 2.0372 0.329 Uiso 1 1 calc R
H8NF H -1.9988 0.0739 2.0362 0.329 Uiso 1 1 calc R
O1X2 O -1.5315(8) 0.1164(8) 2.0662(4) 0.057(4) Uani 1 1 d .
O2X2 O -1.4447(8) 0.4371(8) 2.0538(4) 0.054(4) Uani 1 1 d .
O3X2 O -1.4225(9) 0.3830(9) 2.1202(4) 0.058(4) Uani 1 1 d .
O4X2 O -1.4758(8) 0.1992(8) 2.1282(5) 0.057(4) Uani 1 1 d .
C1X2 C -1.4748(16) 0.1318(14) 2.0721(6) 0.064(7) Uani 1 1 d .
C2X2 C -1.4400(15) 0.1811(12) 2.1122(6) 0.057(7) Uani 1 1 d .
O1G2 O -1.4539(7) 0.3052(8) 2.0469(4) 0.049(4) Uani 1 1 d .
O2G2 O -1.4424(8) 0.2382(8) 2.0064(4) 0.055(4) Uani 1 1 d .
O3G2 O -1.5771(7) 0.2240(8) 2.0576(5) 0.055(4) Uani 1 1 d .
C1G2 C -1.4771(11) 0.2539(11) 2.0236(7) 0.049(5) Uani 1 1 d .
C2G2 C -1.5487(12) 0.2162(13) 2.0204(6) 0.059(7) Uani 1 1 d .
H2GC H -1.5630 0.2311 1.9959 0.070 Uiso 1 1 calc R
H2GD H -1.5629 0.1701 2.0163 0.070 Uiso 1 1 calc R
O1A6 O -1.5563(8) 0.3420(9) 2.0131(4) 0.065(5) Uani 1 1 d .
O2A6 O -1.6553(9) 0.2567(10) 2.0043(5) 0.076(5) Uani 1 1 d U
C1A6 C -1.6071(13) 0.3160(15) 1.9936(7) 0.062(6) Uani 1 1 d U
C2A6 C -1.6177(15) 0.3390(15) 1.9534(9) 0.079(9) Uani 1 1 d .
C3A6 C -1.601(3) 0.395(3) 1.9605(17) 0.040(13) Uiso 0.35 1 d P
C4A6 C -1.649(3) 0.368(3) 1.9617(16) 0.036(12) Uiso 0.35 1 d P
S61 S -1.685(5) 0.388(5) 1.995(3) 0.04(2) Uiso 0.05 1 d P
S61A S -1.642(4) 0.425(4) 1.992(3) 0.08(2) Uiso 0.10 1 d P
C5A6 C -1.722(9) 0.419(9) 2.002(6) 0.07(5) Uiso 0.15 1 d P
C6A6 C -1.668(4) 0.463(4) 2.017(3) 0.04(2) Uiso 0.20 1 d P
O1A7 O -1.7055(7) 0.1291(11) 2.0263(5) 0.077(6) Uani 1 1 d .
O2A7 O -1.6587(9) 0.0811(9) 2.0594(5) 0.075(5) Uani 1 1 d .
C1A7 C -1.6956(14) 0.0804(15) 2.0326(9) 0.069(7) Uani 1 1 d .
C2A7 C -1.7369(15) 0.0204(16) 2.0067(10) 0.093(10) Uani 1 1 d .
H2AS H -1.7270 -0.0133 2.0144 0.140 Uiso 1 1 calc R
H2AT H -1.7278 0.0306 1.9769 0.140 Uiso 1 1 calc R
H2AU H -1.7825 0.0051 2.0122 0.140 Uiso 1 1 calc R
O1A8 O -1.5714(12) 0.0775(10) 2.1592(6) 0.093(7) Uani 1 1 d .
O2A8 O -1.6703(11) 0.0557(10) 2.1518(7) 0.089(6) Uani 1 1 d .
C1A9 C -1.6276(18) 0.0510(15) 2.1695(10) 0.086(10) Uani 1 1 d .
C2A9 C -1.643(2) 0.0161(15) 2.2093(9) 0.130(17) Uani 1 1 d .
H2AP H -1.6327 -0.0188 2.2071 0.195 Uiso 1 1 calc R
H2AQ H -1.6885 -0.0021 2.2155 0.195 Uiso 1 1 calc R
H2AR H -1.6169 0.0456 2.2317 0.195 Uiso 1 1 calc R
O1A9 O -1.5873(9) 0.1890(10) 2.1830(5) 0.065(5) Uani 1 1 d .
O2A9 O -1.5426(8) 0.2665(8) 2.1381(4) 0.064(5) Uani 1 1 d .
C1A8 C -1.5627(14) 0.2464(15) 2.1768(7) 0.064(7) Uani 1 1 d .
C2A8 C -1.5564(16) 0.2918(17) 2.2085(9) 0.088(10) Uani 1 1 d .
H2AM H -1.5121 0.3142 2.2191 0.132 Uiso 1 1 calc R
H2AN H -1.5862 0.2690 2.2315 0.132 Uiso 1 1 calc R
H2AO H -1.5665 0.3233 2.1964 0.132 Uiso 1 1 calc R
O1A0 O -1.5280(9) 0.4079(9) 2.1268(4) 0.065(4) Uani 1 1 d U
O2A0 O -1.5553(19) 0.4747(19) 2.0830(12) 0.170(12) Uani 1 1 d U
C1A0 C -1.5461(17) 0.4464(17) 2.1238(9) 0.102(9) Uani 1 1 d DU
C2A0 C -1.5577(15) 0.4708(16) 2.1593(8) 0.081(8) Uani 1 1 d DU
H2AV H -1.5564 0.4468 2.1837 0.122 Uiso 1 1 calc R
H2AW H -1.6003 0.4670 2.1574 0.122 Uiso 1 1 calc R
H2AX H -1.5248 0.5163 2.1623 0.122 Uiso 1 1 calc R
O5 O -1.2806(9) 0.4133(8) 2.1769(5) 0.064(4) Uani 1 1 d .
O51 O -1.4105(10) 0.2192(9) 2.2349(5) 0.075(5) Uani 1 1 d .
O52 O -1.4198(10) 0.2845(11) 2.2776(6) 0.080(6) Uani 1 1 d .
C51 C -1.4430(14) 0.2276(18) 2.2649(8) 0.076(8) Uani 1 1 d .
C52 C -1.501(2) 0.1731(18) 2.2779(11) 0.121(14) Uani 1 1 d .
H52A H -1.4924 0.1549 2.3031 0.182 Uiso 1 1 calc R
H52B H -1.5166 0.1407 2.2555 0.182 Uiso 1 1 calc R
H52C H -1.5328 0.1856 2.2841 0.182 Uiso 1 1 calc R
O6 O -1.7291(7) 0.5911(7) 2.2546(4) 0.051(4) Uani 1 1 d .
O61 O -1.6498(8) 0.5736(8) 2.1975(5) 0.062(4) Uani 1 1 d .
O62 O -1.5793(10) 0.7011(10) 2.1535(5) 0.073(5) Uani 1 1 d .
C61 C -1.6929(14) 0.5482(16) 2.1680(7) 0.071(8) Uani 1 1 d .
C62 C -1.7142(17) 0.4818(16) 2.1521(9) 0.093(10) Uani 1 1 d .
C63 C -1.764(3) 0.466(3) 2.124(2) 0.063(17) Uiso 0.40 1 d P
C63A C -1.740(5) 0.459(4) 2.113(3) 0.06(2) Uiso 0.30 1 d P
S6 S -1.810(5) 0.368(4) 2.114(3) 0.08(2) Uiso 0.10 1 d P
S6A S -1.778(2) 0.3776(18) 2.1072(12) 0.056(8) Uiso 0.20 1 d P
S6B S -1.756(3) 0.402(3) 2.091(2) 0.051(14) Uiso 0.10 1 d P
C64 C -1.878(4) 0.357(4) 2.110(3) 0.07(2) Uiso 0.30 1 d P
O1W O -1.3333 0.3333 2.0779(8) 0.057(7) Uani 1 3 d S
O2W O -1.1535(7) 0.4412(9) 1.9640(5) 0.064(4) Uani 1 1 d .
O3W O -1.3333 0.3333 1.9648(12) 0.079(9) Uani 1 3 d S
O4W O -0.6849(16) 1.1253(18) 1.2470(8) 0.061(9) Uani 0.50 1 d P
O5W O -1.911(4) 0.491(4) 2.116(2) 0.053(18) Uiso 0.20 1 d P
O6W O -1.3333 0.3333 1.8487(8) 0.086(10) Uani 1 3 d S
O7W O -1.6022(12) 0.4976(11) 2.2316(6) 0.063(6) Uani 0.75 1 d P
O8W O -1.4434(12) 0.4613(12) 2.1984(7) 0.072(6) Uani 0.75 1 d P
O9W O -1.955(4) 0.384(3) 2.081(2) 0.059(18) Uiso 0.22 1 d P
O10W O -1.891(3) 0.490(3) 2.064(2) 0.067(18) Uiso 0.25 1 d P
O11W O -1.857(3) 0.076(3) 1.8788(18) 0.049(14) Uiso 0.25 1 d P
O12W O -1.3333 0.3333 2.368(4) 0.07(3) Uiso 0.25 3 d SP
N1S N -1.313(2) -0.088(2) 1.7964(14) 0.074(13) Uani 0.50 1 d P
C1S C -1.321(2) -0.057(2) 1.8209(14) 0.048(11) Uani 0.50 1 d P
C2S C -1.3281(17) -0.0077(17) 1.8467(11) 0.032(8) Uani 0.50 1 d PU
H2SA H -1.3004 0.0038 1.8715 0.048 Uiso 1 1 calc R
H2SB H -1.3730 -0.0260 1.8554 0.048 Uiso 1 1 calc R
H2SC H -1.3154 0.0310 1.8298 0.048 Uiso 1 1 calc R
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'
O O 0.0106 0.0060 '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'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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
O2N1 Dy1 O1A3 81.9(6) . .
O2N1 Dy1 O2A4 79.5(8) . .
O1A3 Dy1 O2A4 77.0(6) . .
O2N1 Dy1 O3X1 139.2(6) . .
O1A3 Dy1 O3X1 138.5(6) . .
O2A4 Dy1 O3X1 109.9(7) . .
O2N1 Dy1 O1A1 73.8(6) . .
O1A3 Dy1 O1A1 147.5(5) . .
O2A4 Dy1 O1A1 77.6(6) . .
O3X1 Dy1 O1A1 70.1(6) . .
O2N1 Dy1 O2X1 143.2(6) . .
O1A3 Dy1 O2X1 78.2(5) . .
O2A4 Dy1 O2X1 124.7(7) . .
O3X1 Dy1 O2X1 64.1(6) . .
O1A1 Dy1 O2X1 133.6(5) . .
O2N1 Dy1 O1A4 131.3(7) . .
O1A3 Dy1 O1A4 76.1(6) . .
O2A4 Dy1 O1A4 53.5(7) . .
O3X1 Dy1 O1A4 76.6(5) . .
O1A1 Dy1 O1A4 104.1(6) . .
O2X1 Dy1 O1A4 72.9(6) . .
O2N1 Dy1 O3G1 69.2(6) . .
O1A3 Dy1 O3G1 113.4(5) . .
O2A4 Dy1 O3G1 144.5(7) . .
O3X1 Dy1 O3G1 85.1(5) . .
O1A1 Dy1 O3G1 77.9(6) . .
O2X1 Dy1 O3G1 90.8(5) . .
O1A4 Dy1 O3G1 159.4(6) . .
O2N1 Dy1 O2A3 76.5(7) . .
O1A3 Dy1 O2A3 51.3(5) . .
O2A4 Dy1 O2A3 125.1(6) . .
O3X1 Dy1 O2A3 120.5(6) . .
O1A1 Dy1 O2A3 137.9(6) . .
O2X1 Dy1 O2A3 66.9(6) . .
O1A4 Dy1 O2A3 118.0(6) . .
O3G1 Dy1 O2A3 63.8(5) . .
O2N1 Dy1 C1A4 103.0(11) . .
O1A3 Dy1 C1A4 72.8(9) . .
O2A4 Dy1 C1A4 24.7(9) . .
O3X1 Dy1 C1A4 96.5(10) . .
O1A1 Dy1 C1A4 91.7(9) . .
O2X1 Dy1 C1A4 100.3(10) . .
O1A4 Dy1 C1A4 28.9(10) . .
O3G1 Dy1 C1A4 168.4(10) . .
O2A3 Dy1 C1A4 123.9(8) . .
O2N1 Dy1 C1A3 77.2(7) . .
O1A3 Dy1 C1A3 25.4(6) . .
O2A4 Dy1 C1A3 100.6(6) . .
O3X1 Dy1 C1A3 135.1(6) . .
O1A1 Dy1 C1A3 150.8(7) . .
O2X1 Dy1 C1A3 71.6(6) . .
O1A4 Dy1 C1A3 97.5(7) . .
O3G1 Dy1 C1A3 88.7(6) . .
O2A3 Dy1 C1A3 26.0(6) . .
C1A4 Dy1 C1A3 98.1(9) . .
O2N1 Dy1 Cr1 34.5(5) . .
O1A3 Dy1 Cr1 104.6(4) . .
O2A4 Dy1 Cr1 109.7(6) . .
O3X1 Dy1 Cr1 110.5(4) . .
O1A1 Dy1 Cr1 65.9(5) . .
O2X1 Dy1 Cr1 124.2(4) . .
O1A4 Dy1 Cr1 162.9(5) . .
O3G1 Dy1 Cr1 35.9(4) . .
O2A3 Dy1 Cr1 72.7(4) . .
C1A4 Dy1 Cr1 134.4(10) . .
C1A3 Dy1 Cr1 88.1(5) . .
O1N1 Dy2 O1A5 78.5(6) . .
O1N1 Dy2 O2A3 82.7(6) . .
O1A5 Dy2 O2A3 91.0(6) . .
O1N1 Dy2 O1G1 134.5(5) . .
O1A5 Dy2 O1G1 147.0(6) . .
O2A3 Dy2 O1G1 94.0(6) . .
O1N1 Dy2 O2A2 73.4(5) . .
O1A5 Dy2 O2A2 112.0(5) . .
O2A3 Dy2 O2A2 141.9(6) . .
O1G1 Dy2 O2A2 82.9(5) . .
O1N1 Dy2 O4X1 124.7(6) . .
O1A5 Dy2 O4X1 75.3(6) . .
O2A3 Dy2 O4X1 144.5(6) . .
O1G1 Dy2 O4X1 81.9(5) . .
O2A2 Dy2 O4X1 72.9(5) . .
O1N1 Dy2 O1X1 148.1(5) . .
O1A5 Dy2 O1X1 76.6(6) . .
O2A3 Dy2 O1X1 78.3(6) . .
O1G1 Dy2 O1X1 72.6(5) . .
O2A2 Dy2 O1X1 135.0(5) . .
O4X1 Dy2 O1X1 66.8(5) . .
O1N1 Dy2 O3G1 70.7(6) . .
O1A5 Dy2 O3G1 144.9(6) . .
O2A3 Dy2 O3G1 69.0(6) . .
O1G1 Dy2 O3G1 66.0(5) . .
O2A2 Dy2 O3G1 75.2(5) . .
O4X1 Dy2 O3G1 136.9(5) . .
O1X1 Dy2 O3G1 123.9(6) . .
O1N1 Dy2 Cr1 34.9(4) . .
O1A5 Dy2 Cr1 112.9(5) . .
O2A3 Dy2 Cr1 76.9(5) . .
O1G1 Dy2 Cr1 100.0(3) . .
O2A2 Dy2 Cr1 66.4(4) . .
O4X1 Dy2 Cr1 138.6(3) . .
O1X1 Dy2 Cr1 153.5(4) . .
O3G1 Dy2 Cr1 36.2(4) . .
O1N2 Dy3 O1A0 80.2(6) . .
O1N2 Dy3 O2A9 80.4(6) . .
O1A0 Dy3 O2A9 89.6(6) . .
O1N2 Dy3 O2X2 129.5(6) . .
O1A0 Dy3 O2X2 77.7(6) . .
O2A9 Dy3 O2X2 143.4(6) . .
O1N2 Dy3 O1A6 74.9(5) . .
O1A0 Dy3 O1A6 112.8(6) . .
O2A9 Dy3 O1A6 142.7(6) . .
O2X2 Dy3 O1A6 72.9(6) . .
O1N2 Dy3 O3X2 145.9(5) . .
O1A0 Dy3 O3X2 76.0(6) . .
O2A9 Dy3 O3X2 75.4(6) . .
O2X2 Dy3 O3X2 68.2(5) . .
O1A6 Dy3 O3X2 137.2(6) . .
O1N2 Dy3 O1G2 133.0(6) . .
O1A0 Dy3 O1G2 146.7(6) . .
O2A9 Dy3 O1G2 93.5(5) . .
O2X2 Dy3 O1G2 80.1(5) . .
O1A6 Dy3 O1G2 83.6(5) . .
O3X2 Dy3 O1G2 72.8(5) . .
O1N2 Dy3 O3G2 69.1(6) . .
O1A0 Dy3 O3G2 145.0(6) . .
O2A9 Dy3 O3G2 69.5(6) . .
O2X2 Dy3 O3G2 135.2(5) . .
O1A6 Dy3 O3G2 75.8(6) . .
O3X2 Dy3 O3G2 122.0(6) . .
O1G2 Dy3 O3G2 65.2(5) . .
O1N2 Dy3 Cr2 33.5(4) . .
O1A0 Dy3 Cr2 113.4(5) . .
O2A9 Dy3 Cr2 76.7(4) . .
O2X2 Dy3 Cr2 139.9(3) . .
O1A6 Dy3 Cr2 67.2(5) . .
O3X2 Dy3 Cr2 150.5(4) . .
O1G2 Dy3 Cr2 99.6(4) . .
O3G2 Dy3 Cr2 36.2(4) . .
O2N2 Dy4 O2A7 74.4(7) . .
O2N2 Dy4 O2A8 79.8(8) . .
O2A7 Dy4 O2A8 78.2(7) . .
O2N2 Dy4 O1X2 139.5(6) . .
O2A7 Dy4 O1X2 70.2(6) . .
O2A8 Dy4 O1X2 110.9(7) . .
O2N2 Dy4 O1A9 78.3(6) . .
O2A7 Dy4 O1A9 144.8(6) . .
O2A8 Dy4 O1A9 75.4(7) . .
O1X2 Dy4 O1A9 141.7(6) . .
O2N2 Dy4 O3G2 68.3(5) . .
O2A7 Dy4 O3G2 76.9(6) . .
O2A8 Dy4 O3G2 143.7(7) . .
O1X2 Dy4 O3G2 84.8(5) . .
O1A9 Dy4 O3G2 112.9(6) . .
O2N2 Dy4 O4X2 142.2(6) . .
O2A7 Dy4 O4X2 135.8(6) . .
O2A8 Dy4 O4X2 122.3(7) . .
O1X2 Dy4 O4X2 65.9(6) . .
O1A9 Dy4 O4X2 78.8(6) . .
O3G2 Dy4 O4X2 93.9(5) . .
O2N2 Dy4 O1A8 130.1(6) . .
O2A7 Dy4 O1A8 106.5(8) . .
O2A8 Dy4 O1A8 53.0(8) . .
O1X2 Dy4 O1A8 79.6(6) . .
O1A9 Dy4 O1A8 75.1(7) . .
O3G2 Dy4 O1A8 161.6(6) . .
O4X2 Dy4 O1A8 70.9(7) . .
O2N2 Dy4 O2A9 75.1(6) . .
O2A7 Dy4 O2A9 138.0(7) . .
O2A8 Dy4 O2A9 123.4(6) . .
O1X2 Dy4 O2A9 121.1(5) . .
O1A9 Dy4 O2A9 50.4(6) . .
O3G2 Dy4 O2A9 65.3(5) . .
O4X2 Dy4 O2A9 67.1(6) . .
O1A8 Dy4 O2A9 115.2(7) . .
O2N2 Dy4 C1A9 104.3(10) . .
O2A7 Dy4 C1A9 95.2(8) . .
O2A8 Dy4 C1A9 26.8(8) . .
O1X2 Dy4 C1A9 98.1(10) . .
O1A9 Dy4 C1A9 70.4(9) . .
O3G2 Dy4 C1A9 170.2(8) . .
O4X2 Dy4 C1A9 95.8(8) . .
O1A8 Dy4 C1A9 26.5(9) . .
O2A9 Dy4 C1A9 120.0(8) . .
O2N2 Dy4 C1A8 74.2(7) . .
O2A7 Dy4 C1A8 148.6(8) . .
O2A8 Dy4 C1A8 97.7(8) . .
O1X2 Dy4 C1A8 137.8(7) . .
O1A9 Dy4 C1A8 23.7(6) . .
O3G2 Dy4 C1A8 90.2(7) . .
O4X2 Dy4 C1A8 72.7(7) . .
O1A8 Dy4 C1A8 94.9(7) . .
O2A9 Dy4 C1A8 26.7(6) . .
C1A9 Dy4 C1A8 93.9(9) . .
O2N2 Dy4 Cr2 33.5(4) . .
O2A7 Dy4 Cr2 65.3(6) . .
O2A8 Dy4 Cr2 108.6(6) . .
O1X2 Dy4 Cr2 110.7(4) . .
O1A9 Dy4 Cr2 101.9(5) . .
O3G2 Dy4 Cr2 36.1(4) . .
O4X2 Dy4 Cr2 126.9(4) . .
O1A8 Dy4 Cr2 161.6(5) . .
O2A9 Dy4 Cr2 73.3(4) . .
C1A9 Dy4 Cr2 135.1(8) . .
C1A8 Dy4 Cr2 87.3(6) . .
O52 Dy5 O52 82.2(8) 2_475 .
O52 Dy5 O52 82.2(8) 2_475 3_245
O52 Dy5 O52 82.2(8) . 3_245
O52 Dy5 O5 86.4(6) 2_475 3_245
O52 Dy5 O5 126.9(7) . 3_245
O52 Dy5 O5 146.9(7) 3_245 3_245
O52 Dy5 O5 146.9(7) 2_475 2_475
O52 Dy5 O5 86.4(6) . 2_475
O52 Dy5 O5 126.9(7) 3_245 2_475
O5 Dy5 O5 75.9(6) 3_245 2_475
O52 Dy5 O5 126.9(7) 2_475 .
O52 Dy5 O5 146.9(7) . .
O52 Dy5 O5 86.4(6) 3_245 .
O5 Dy5 O5 75.9(6) 3_245 .
O5 Dy5 O5 75.9(6) 2_475 .
O52 Dy5 O51 53.8(7) 2_475 2_475
O52 Dy5 O51 132.8(6) . 2_475
O52 Dy5 O51 76.5(7) 3_245 2_475
O5 Dy5 O51 71.8(6) 3_245 2_475
O5 Dy5 O51 139.5(6) 2_475 2_475
O5 Dy5 O51 73.1(6) . 2_475
O52 Dy5 O51 76.5(8) 2_475 .
O52 Dy5 O51 53.8(7) . .
O52 Dy5 O51 132.8(6) 3_245 .
O5 Dy5 O51 73.1(6) 3_245 .
O5 Dy5 O51 71.8(6) 2_475 .
O5 Dy5 O51 139.5(6) . .
O51 Dy5 O51 119.45(9) 2_475 .
O52 Dy5 O51 132.8(6) 2_475 3_245
O52 Dy5 O51 76.5(7) . 3_245
O52 Dy5 O51 53.8(7) 3_245 3_245
O5 Dy5 O51 139.5(5) 3_245 3_245
O5 Dy5 O51 73.1(6) 2_475 3_245
O5 Dy5 O51 71.7(6) . 3_245
O51 Dy5 O51 119.45(10) 2_475 3_245
O51 Dy5 O51 119.45(11) . 3_245
O52 Dy5 C51 26.2(7) 2_475 2_475
O52 Dy5 C51 107.4(8) . 2_475
O52 Dy5 C51 79.1(8) 3_245 2_475
O5 Dy5 C51 77.0(7) 3_245 2_475
O5 Dy5 C51 152.8(7) 2_475 2_475
O5 Dy5 C51 100.7(9) . 2_475
O51 Dy5 C51 27.6(8) 2_475 2_475
O51 Dy5 C51 97.1(8) . 2_475
O51 Dy5 C51 132.2(7) 3_245 2_475
O52 Dy5 C51 79.1(8) 2_475 .
O52 Dy5 C51 26.2(7) . .
O52 Dy5 C51 107.4(9) 3_245 .
O5 Dy5 C51 100.7(8) 3_245 .
O5 Dy5 C51 77.0(7) 2_475 .
O5 Dy5 C51 152.8(7) . .
O51 Dy5 C51 132.2(7) 2_475 .
O51 Dy5 C51 27.6(8) . .
O51 Dy5 C51 97.1(8) 3_245 .
C51 Dy5 C51 104.9(7) 2_475 .
O52 Dy5 C51 107.4(9) 2_475 3_245
O52 Dy5 C51 79.1(8) . 3_245
O52 Dy5 C51 26.2(7) 3_245 3_245
O5 Dy5 C51 152.8(8) 3_245 3_245
O5 Dy5 C51 100.7(8) 2_475 3_245
O5 Dy5 C51 77.0(7) . 3_245
O51 Dy5 C51 97.1(8) 2_475 3_245
O51 Dy5 C51 132.2(7) . 3_245
O51 Dy5 C51 27.6(8) 3_245 3_245
C51 Dy5 C51 104.9(7) 2_475 3_245
C51 Dy5 C51 104.9(7) . 3_245
O6 Dy6 O6 75.3(5) 2_485 .
O6 Dy6 O6 75.3(5) 2_485 3_145
O6 Dy6 O6 75.3(5) . 3_145
O6 Dy6 O62 86.2(6) 2_485 .
O6 Dy6 O62 146.1(6) . .
O6 Dy6 O62 127.5(6) 3_145 .
O6 Dy6 O62 146.1(6) 2_485 2_485
O6 Dy6 O62 127.5(6) . 2_485
O6 Dy6 O62 86.2(6) 3_145 2_485
O62 Dy6 O62 82.9(7) . 2_485
O6 Dy6 O62 127.5(6) 2_485 3_145
O6 Dy6 O62 86.2(6) . 3_145
O6 Dy6 O62 146.1(6) 3_145 3_145
O62 Dy6 O62 82.9(7) . 3_145
O62 Dy6 O62 82.9(7) 2_485 3_145
O6 Dy6 O61 72.5(5) 2_485 .
O6 Dy6 O61 71.1(5) . .
O6 Dy6 O61 138.1(5) 3_145 .
O62 Dy6 O61 76.4(6) . .
O62 Dy6 O61 134.5(6) 2_485 .
O62 Dy6 O61 55.0(6) 3_145 .
O6 Dy6 O61 138.1(5) 2_485 3_145
O6 Dy6 O61 72.5(5) . 3_145
O6 Dy6 O61 71.1(5) 3_145 3_145
O62 Dy6 O61 134.5(6) . 3_145
O62 Dy6 O61 55.0(6) 2_485 3_145
O62 Dy6 O61 76.4(6) 3_145 3_145
O61 Dy6 O61 119.69(8) . 3_145
O6 Dy6 O61 71.1(5) 2_485 2_485
O6 Dy6 O61 138.1(5) . 2_485
O6 Dy6 O61 72.5(5) 3_145 2_485
O62 Dy6 O61 55.0(6) . 2_485
O62 Dy6 O61 76.4(6) 2_485 2_485
O62 Dy6 O61 134.5(6) 3_145 2_485
O61 Dy6 O61 119.69(8) . 2_485
O61 Dy6 O61 119.69(7) 3_145 2_485
O6 Dy6 C61 100.2(7) 2_485 .
O6 Dy6 C61 76.4(7) . .
O6 Dy6 C61 151.5(7) 3_145 .
O62 Dy6 C61 79.3(8) . .
O62 Dy6 C61 109.1(7) 2_485 .
O62 Dy6 C61 27.3(7) 3_145 .
O61 Dy6 C61 27.7(7) . .
O61 Dy6 C61 97.6(7) 3_145 .
O61 Dy6 C61 133.5(7) 2_485 .
O6 Dy6 C61 151.5(7) 2_485 3_145
O6 Dy6 C61 100.2(7) . 3_145
O6 Dy6 C61 76.4(6) 3_145 3_145
O62 Dy6 C61 109.1(7) . 3_145
O62 Dy6 C61 27.3(7) 2_485 3_145
O62 Dy6 C61 79.3(8) 3_145 3_145
O61 Dy6 C61 133.5(7) . 3_145
O61 Dy6 C61 27.7(7) 3_145 3_145
O61 Dy6 C61 97.6(7) 2_485 3_145
C61 Dy6 C61 106.1(6) . 3_145
O6 Dy6 C61 76.4(7) 2_485 2_485
O6 Dy6 C61 151.5(7) . 2_485
O6 Dy6 C61 100.2(7) 3_145 2_485
O62 Dy6 C61 27.3(7) . 2_485
O62 Dy6 C61 79.3(8) 2_485 2_485
O62 Dy6 C61 109.1(7) 3_145 2_485
O61 Dy6 C61 97.6(7) . 2_485
O61 Dy6 C61 133.5(7) 3_145 2_485
O61 Dy6 C61 27.7(7) 2_485 2_485
C61 Dy6 C61 106.1(6) . 2_485
C61 Dy6 C61 106.1(6) 3_145 2_485
O2N1 Cr1 O1N1 94.3(8) . .
O2N1 Cr1 O3G1 86.7(7) . .
O1N1 Cr1 O3G1 86.9(7) . .
O2N1 Cr1 O2A1 89.7(8) . .
O1N1 Cr1 O2A1 175.1(8) . .
O3G1 Cr1 O2A1 96.0(7) . .
O2N1 Cr1 O1A2 178.7(8) . .
O1N1 Cr1 O1A2 86.9(7) . .
O3G1 Cr1 O1A2 93.0(7) . .
O2A1 Cr1 O1A2 89.1(8) . .
O2N1 Cr1 N1 81.7(9) . .
O1N1 Cr1 N1 85.1(9) . .
O3G1 Cr1 N1 165.4(8) . .
O2A1 Cr1 N1 92.8(9) . .
O1A2 Cr1 N1 98.8(9) . .
O2N1 Cr1 Dy2 96.5(5) . .
O1N1 Cr1 Dy2 40.4(5) . .
O3G1 Cr1 Dy2 47.2(5) . .
O2A1 Cr1 Dy2 141.8(5) . .
O1A2 Cr1 Dy2 84.2(5) . .
N1 Cr1 Dy2 125.4(7) . .
O2N1 Cr1 Dy1 41.4(5) . .
O1N1 Cr1 Dy1 100.5(5) . .
O3G1 Cr1 Dy1 46.9(4) . .
O2A1 Cr1 Dy1 84.4(6) . .
O1A2 Cr1 Dy1 138.0(5) . .
N1 Cr1 Dy1 122.9(8) . .
Dy2 Cr1 Dy1 76.19(9) . .
O2N2 Cr2 O1N2 91.4(8) . .
O2N2 Cr2 O1A7 92.7(9) . .
O1N2 Cr2 O1A7 175.6(8) . .
O2N2 Cr2 O2A6 178.8(8) . .
O1N2 Cr2 O2A6 88.0(7) . .
O1A7 Cr2 O2A6 87.9(8) . .
O2N2 Cr2 O3G2 85.4(7) . .
O1N2 Cr2 O3G2 86.2(7) . .
O1A7 Cr2 O3G2 95.7(7) . .
O2A6 Cr2 O3G2 93.5(7) . .
O2N2 Cr2 N2 82.9(8) . .
O1N2 Cr2 N2 87.1(7) . .
O1A7 Cr2 N2 91.9(8) . .
O2A6 Cr2 N2 98.1(9) . .
O3G2 Cr2 N2 166.3(8) . .
O2N2 Cr2 Dy3 94.6(5) . .
O1N2 Cr2 Dy3 40.0(5) . .
O1A7 Cr2 Dy3 141.0(5) . .
O2A6 Cr2 Dy3 84.3(6) . .
O3G2 Cr2 Dy3 47.0(5) . .
N2 Cr2 Dy3 127.0(6) . .
O2N2 Cr2 Dy4 40.9(5) . .
O1N2 Cr2 Dy4 98.4(5) . .
O1A7 Cr2 Dy4 85.7(7) . .
O2A6 Cr2 Dy4 138.2(6) . .
O3G2 Cr2 Dy4 46.3(5) . .
N2 Cr2 Dy4 123.4(6) . .
Dy3 Cr2 Dy4 75.36(9) . .
C3N1 N1 C1N1 116(3) . .
C3N1 N1 C5N1 108(3) . .
C1N1 N1 C5N1 111(3) . .
C3N1 N1 Cr1 105(2) . .
C1N1 N1 Cr1 106.2(19) . .
C5N1 N1 Cr1 110.5(17) . .
C2N1 O1N1 Cr1 103.9(17) . .
C2N1 O1N1 Dy2 138.2(16) . .
Cr1 O1N1 Dy2 104.7(7) . .
C4N1 O2N1 Cr1 116.4(19) . .
C4N1 O2N1 Dy1 138(2) . .
Cr1 O2N1 Dy1 104.1(7) . .
N1 C1N1 C2N1 111(3) . .
O1N1 C2N1 C1N1 111(2) . .
N1 C3N1 C4N1 110(3) . .
O2N1 C4N1 C3N1 108(2) . .
N1 C5N1 C6N1 113(3) . .
C5N1 C6N1 C7N1 104(3) . .
C8N1 C7N1 C6N1 108(4) . .
C1X1 O1X1 Dy2 118.9(14) . .
C1X1 O2X1 Dy1 122.5(14) 3_245 .
C2X1 O3X1 Dy1 121.4(15) . .
C2X1 O4X1 Dy2 118.6(14) 2_475 .
O2X1 C1X1 O1X1 128.9(19) 2_475 .
O2X1 C1X1 C2X1 114(2) 2_475 2_475
O1X1 C1X1 C2X1 117(2) . 2_475
O4X1 C2X1 O3X1 126(2) 3_245 .
O4X1 C2X1 C1X1 118(2) 3_245 3_245
O3X1 C2X1 C1X1 116(2) . 3_245
C1G1 O1G1 Dy2 124.0(13) . .
C2G1 O3G1 Cr1 121.1(12) . .
C2G1 O3G1 Dy2 113.9(13) . .
Cr1 O3G1 Dy2 96.6(6) . .
C2G1 O3G1 Dy1 112.5(13) . .
Cr1 O3G1 Dy1 97.2(6) . .
Dy2 O3G1 Dy1 113.7(5) . .
O2G1 C1G1 O1G1 126(2) . .
O2G1 C1G1 C2G1 117(2) . .
O1G1 C1G1 C2G1 117.0(19) . .
O3G1 C2G1 C1G1 105.9(17) . .
C1A1 O1A1 Dy1 133.5(17) . .
C1A1 O2A1 Cr1 128.4(17) . .
O2A1 C1A1 O1A1 128(2) . .
O2A1 C1A1 C2A1 118(3) . .
O1A1 C1A1 C2A1 115(2) . .
C1A2 O1A2 Cr1 128.4(15) . .
C1A2 O2A2 Dy2 137.1(15) . .
O2A2 C1A2 O1A2 120(2) . .
O2A2 C1A2 C2A2 123(2) . .
O1A2 C1A2 C2A2 117(2) . .
C1A3 O1A3 Dy1 102.3(13) . .
C1A3 O2A3 Dy2 152.2(18) . .
C1A3 O2A3 Dy1 91.0(15) . .
Dy2 O2A3 Dy1 113.2(6) . .
O1A3 C1A3 O2A3 115(2) . .
O1A3 C1A3 C2A3 122(2) . .
O2A3 C1A3 C2A3 123(2) . .
O1A3 C1A3 Dy1 52.4(10) . .
O2A3 C1A3 Dy1 63.0(13) . .
C2A3 C1A3 Dy1 174.1(19) . .
C1A4 O1A4 Dy1 87.0(18) . .
C1A4 O2A4 Dy1 94(2) . .
O2A4 C1A4 O1A4 125(3) . .
O2A4 C1A4 C2A4 127(4) . .
O1A4 C1A4 C2A4 109(3) . .
O2A4 C1A4 Dy1 61.1(18) . .
O1A4 C1A4 Dy1 64.0(14) . .
C2A4 C1A4 Dy1 167(2) . .
C1A5 O1A5 Dy2 141.4(15) . .
O1A5 C1A5 O2A5 131(3) . .
O1A5 C1A5 C2A5 117(2) . .
O2A5 C1A5 C2A5 112(3) . .
C3A5 C2A5 C1A5 119(5) . .
S5A C3A5 C2A5 137(8) . .
S5A C3A5 S5 86(6) . .
C2A5 C3A5 S5 137(7) . .
C3A5 S5 S5A 38(4) . .
C3A5 S5A S5 56(5) . .
C5N2 N2 C3N2 113(3) . .
C5N2 N2 C1N2 113(2) . .
C3N2 N2 C1N2 113(3) . .
C5N2 N2 Cr2 113.2(15) . .
C3N2 N2 Cr2 101.2(17) . .
C1N2 N2 Cr2 102.8(16) . .
C2N2 O1N2 Cr2 106.6(19) . .
C2N2 O1N2 Dy3 143.1(18) . .
Cr2 O1N2 Dy3 106.5(7) . .
C4N2 O2N2 Cr2 115(2) . .
C4N2 O2N2 Dy4 137(2) . .
Cr2 O2N2 Dy4 105.5(7) . .
C2N2 C1N2 N2 110(3) . .
C1N2 C2N2 O1N2 118(3) . .
C4N2 C3N2 N2 114(3) . .
O2N2 C4N2 C3N2 116(3) . .
C6N2 C5N2 N2 116(3) . .
C7N2 C6N2 C5N2 116(4) . .
C6N2 C7N2 C8N2 124(5) . .
C1X2 O1X2 Dy4 123.1(14) . .
C1X2 O2X2 Dy3 123.0(16) 3_245 .
C2X2 O3X2 Dy3 119.5(13) 3_245 .
C2X2 O4X2 Dy4 122.5(16) . .
O1X2 C1X2 O2X2 133(3) . 2_475
O1X2 C1X2 C2X2 115(2) . .
O2X2 C1X2 C2X2 112(3) 2_475 .
O4X2 C2X2 O3X2 132(2) . 2_475
O4X2 C2X2 C1X2 112(2) . .
O3X2 C2X2 C1X2 116(2) 2_475 .
C1G2 O1G2 Dy3 121.9(14) . .
C2G2 O3G2 Cr2 122.3(14) . .
C2G2 O3G2 Dy4 113.2(13) . .
Cr2 O3G2 Dy4 97.6(6) . .
C2G2 O3G2 Dy3 112.3(14) . .
Cr2 O3G2 Dy3 96.8(6) . .
Dy4 O3G2 Dy3 113.0(6) . .
O2G2 C1G2 O1G2 121(2) . .
O2G2 C1G2 C2G2 123(2) . .
O1G2 C1G2 C2G2 116(2) . .
O3G2 C2G2 C1G2 110.1(19) . .
C1A6 O1A6 Dy3 136.5(16) . .
C1A6 O2A6 Cr2 127.5(15) . .
O1A6 C1A6 O2A6 121(2) . .
O1A6 C1A6 C2A6 125(3) . .
O2A6 C1A6 C2A6 113(2) . .
C3A6 C2A6 C4A6 47(3) . .
C3A6 C2A6 C1A6 103(4) . .
C4A6 C2A6 C1A6 106(3) . .
C4A6 C3A6 C2A6 70(5) . .
C4A6 C3A6 S61A 64(5) . .
C2A6 C3A6 S61A 127(5) . .
C4A6 C3A6 S61 40(5) . .
C2A6 C3A6 S61 103(5) . .
S61A C3A6 S61 25(4) . .
C3A6 C4A6 C2A6 63(5) . .
C3A6 C4A6 S61 117(7) . .
C2A6 C4A6 S61 149(6) . .
C3A6 C4A6 S61A 82(6) . .
C2A6 C4A6 S61A 138(5) . .
S61 C4A6 S61A 36(4) . .
S61A S61 C5A6 102(10) . .
S61A S61 C4A6 72(8) . .
C5A6 S61 C4A6 146(10) . .
S61A S61 C6A6 62(8) . .
C5A6 S61 C6A6 46(9) . .
C4A6 S61 C6A6 133(8) . .
S61A S61 C3A6 50(7) . .
C5A6 S61 C3A6 144(10) . .
C4A6 S61 C3A6 23(3) . .
C6A6 S61 C3A6 112(6) . .
S61 S61A C4A6 72(8) . .
S61 S61A C6A6 84(9) . .
C4A6 S61A C6A6 154(7) . .
S61 S61A C3A6 105(9) . .
C4A6 S61A C3A6 34(3) . .
C6A6 S61A C3A6 170(7) . .
S61 S61A C5A6 48(9) . .
C4A6 S61A C5A6 112(8) . .
C6A6 S61A C5A6 42(7) . .
C3A6 S61A C5A6 145(8) . .
C6A6 C5A6 S61 81(10) . .
C6A6 C5A6 S61A 55(9) . .
S61 C5A6 S61A 30(6) . .
C5A6 C6A6 S61A 82(10) . .
C5A6 C6A6 S61 53(10) . .
S61A C6A6 S61 33(4) . .
C1A7 O1A7 Cr2 125.8(18) . .
C1A7 O2A7 Dy4 140(2) . .
O2A7 C1A7 O1A7 123(3) . .
O2A7 C1A7 C2A7 121(3) . .
O1A7 C1A7 C2A7 116(3) . .
C1A9 O1A8 Dy4 89(2) . .
C1A9 O2A8 Dy4 90(2) . .
O1A8 C1A9 O2A8 126(3) . .
O1A8 C1A9 C2A9 115(3) . .
O2A8 C1A9 C2A9 118(4) . .
O1A8 C1A9 Dy4 64.6(18) . .
O2A8 C1A9 Dy4 62.8(17) . .
C2A9 C1A9 Dy4 162(2) . .
C1A8 O1A9 Dy4 102.2(14) . .
C1A8 O2A9 Dy3 151.9(17) . .
C1A8 O2A9 Dy4 90.6(15) . .
Dy3 O2A9 Dy4 111.7(5) . .
O1A9 C1A8 O2A9 117(2) . .
O1A9 C1A8 C2A8 123(2) . .
O2A9 C1A8 C2A8 120(3) . .
O1A9 C1A8 Dy4 54.1(12) . .
O2A9 C1A8 Dy4 62.7(12) . .
C2A8 C1A8 Dy4 174(2) . .
C1A0 O1A0 Dy3 134.8(17) . .
O1A0 C1A0 C2A0 119(3) . .
O1A0 C1A0 O2A0 126(2) . .
C2A0 C1A0 O2A0 114(3) . .
C51 O51 Dy5 93.3(19) . .
C51 O52 Dy5 97.4(16) . .
O52 C51 O51 115(3) . .
O52 C51 C52 128(3) . .
O51 C51 C52 117(3) . .
O52 C51 Dy5 56.4(14) . .
O51 C51 Dy5 59.1(15) . .
C52 C51 Dy5 173(2) . .
C61 O61 Dy6 90.7(17) . .
C61 O62 Dy6 94.3(15) 2_485 .
O62 C61 O61 120(3) 3_145 .
O62 C61 C62 119(2) 3_145 .
O61 C61 C62 121(3) . .
O62 C61 Dy6 58.4(14) 3_145 .
O61 C61 Dy6 61.6(14) . .
C62 C61 Dy6 174(2) . .
C63A C62 C63 32(4) . .
C63A C62 C61 125(5) . .
C63 C62 C61 108(4) . .
C63A C63 C62 73(9) . .
C63A C63 S6B 37(9) . .
C62 C63 S6B 99(5) . .
C63A C63 S6A 54(9) . .
C62 C63 S6A 97(4) . .
S6B C63 S6A 22(2) . .
C63A C63 S6 74(10) . .
C62 C63 S6 108(5) . .
S6B C63 S6 39(4) . .
S6A C63 S6 20(2) . .
C63 C63A C62 75(9) . .
C63 C63A S6B 124(10) . .
C62 C63A S6B 133(7) . .
C63 C63A S6A 105(10) . .
C62 C63A S6A 116(6) . .
S6B C63A S6A 26(3) . .
C63 C63A S6 85(10) . .
C62 C63A S6 113(6) . .
S6B C63A S6 43(4) . .
S6A C63A S6 21(3) . .
S6A S6 S6B 24(6) . .
S6A S6 C64 156(10) . .
S6B S6 C64 133(8) . .
S6A S6 C63A 56(8) . .
S6B S6 C63A 45(5) . .
C64 S6 C63A 116(7) . .
S6A S6 C63 78(8) . .
S6B S6 C63 66(5) . .
C64 S6 C63 97(6) . .
C63A S6 C63 22(3) . .
S6 S6A S6B 133(10) . .
S6 S6A C63A 103(9) . .
S6B S6A C63A 55(6) . .
S6 S6A C63 82(8) . .
S6B S6A C63 72(6) . .
C63A S6A C63 21(3) . .
S6 S6A C64 17(8) . .
S6B S6A C64 118(7) . .
C63A S6A C64 99(4) . .
C63 S6A C64 79(3) . .
S6A S6B S6 23(6) . .
S6A S6B C63A 99(8) . .
S6 S6B C63A 92(6) . .
S6A S6B C63 86(6) . .
S6 S6B C63 75(5) . .
C63A S6B C63 19(4) . .
S6 C64 S6A 8(4) . .
N1S C1S C2S 170(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O2N1 2.292(19) .
Dy1 O1A3 2.402(16) .
Dy1 O2A4 2.409(19) .
Dy1 O3X1 2.422(18) .
Dy1 O1A1 2.429(18) .
Dy1 O2X1 2.443(16) .
Dy1 O1A4 2.472(17) .
Dy1 O3G1 2.473(15) .
Dy1 O2A3 2.64(2) .
Dy1 C1A4 2.75(3) .
Dy1 C1A3 2.96(2) .
Dy1 Cr1 3.360(4) .
Dy2 O1N1 2.235(18) .
Dy2 O1A5 2.300(15) .
Dy2 O2A3 2.305(18) .
Dy2 O1G1 2.337(14) .
Dy2 O2A2 2.379(15) .
Dy2 O4X1 2.414(17) .
Dy2 O1X1 2.445(16) .
Dy2 O3G1 2.465(16) .
Dy2 Cr1 3.339(4) .
Dy3 O1N2 2.248(16) .
Dy3 O1A0 2.281(16) .
Dy3 O2A9 2.331(16) .
Dy3 O2X2 2.367(17) .
Dy3 O1A6 2.378(14) .
Dy3 O3X2 2.402(17) .
Dy3 O1G2 2.400(15) .
Dy3 O3G2 2.469(16) .
Dy3 Cr2 3.353(5) .
Dy4 O2N2 2.282(19) .
Dy4 O2A7 2.341(18) .
Dy4 O2A8 2.41(2) .
Dy4 O1X2 2.416(15) .
Dy4 O1A9 2.442(15) .
Dy4 O3G2 2.447(17) .
Dy4 O4X2 2.446(16) .
Dy4 O1A8 2.45(2) .
Dy4 O2A9 2.620(18) .
Dy4 C1A9 2.71(3) .
Dy4 C1A8 2.95(3) .
Dy4 Cr2 3.355(5) .
Dy5 O52 2.372(18) 2_475
Dy5 O52 2.372(18) .
Dy5 O52 2.373(18) 3_245
Dy5 O5 2.376(15) 3_245
Dy5 O5 2.376(16) 2_475
Dy5 O5 2.376(16) .
Dy5 O51 2.426(19) 2_475
Dy5 O51 2.43(2) .
Dy5 O51 2.426(19) 3_245
Dy5 C51 2.82(3) 2_475
Dy5 C51 2.82(3) .
Dy5 C51 2.82(3) 3_245
Dy6 O6 2.377(15) 2_485
Dy6 O6 2.377(15) .
Dy6 O6 2.377(15) 3_145
Dy6 O62 2.392(17) .
Dy6 O62 2.392(17) 2_485
Dy6 O62 2.392(17) 3_145
Dy6 O61 2.464(18) .
Dy6 O61 2.464(18) 3_145
Dy6 O61 2.464(18) 2_485
Dy6 C61 2.80(3) .
Dy6 C61 2.80(3) 3_145
Dy6 C61 2.80(3) 2_485
Cr1 O2N1 1.96(2) .
Cr1 O1N1 1.976(18) .
Cr1 O3G1 1.985(17) .
Cr1 O2A1 1.998(19) .
Cr1 O1A2 2.025(17) .
Cr1 N1 2.10(2) .
Cr2 O2N2 1.924(18) .
Cr2 O1N2 1.930(18) .
Cr2 O1A7 1.97(2) .
Cr2 O2A6 2.01(2) .
Cr2 O3G2 1.995(16) .
Cr2 N2 2.118(16) .
N1 C3N1 1.36(4) .
N1 C1N1 1.38(4) .
N1 C5N1 1.51(4) .
O1N1 C2N1 1.39(3) .
O2N1 C4N1 1.36(3) .
C1N1 C2N1 1.52(4) .
C3N1 C4N1 1.60(4) .
C5N1 C6N1 1.58(4) .
C6N1 C7N1 1.70(6) .
C7N1 C8N1 1.56(6) .
O1X1 C1X1 1.24(3) .
O2X1 C1X1 1.23(3) 3_245
O3X1 C2X1 1.26(3) .
O4X1 C2X1 1.26(3) 2_475
C1X1 O2X1 1.23(3) 2_475
C1X1 C2X1 1.53(3) 2_475
C2X1 O4X1 1.26(3) 3_245
C2X1 C1X1 1.53(3) 3_245
O1G1 C1G1 1.30(3) .
O2G1 C1G1 1.23(3) .
O3G1 C2G1 1.48(2) .
C1G1 C2G1 1.54(3) .
O1A1 C1A1 1.24(3) .
O2A1 C1A1 1.19(3) .
C1A1 C2A1 1.48(4) .
O1A2 C1A2 1.27(3) .
O2A2 C1A2 1.25(3) .
C1A2 C2A2 1.47(3) .
O1A3 C1A3 1.30(3) .
O2A3 C1A3 1.30(3) .
C1A3 C2A3 1.47(3) .
O1A4 C1A4 1.33(4) .
O2A4 C1A4 1.15(4) .
C1A4 C2A4 1.61(4) .
O1A5 C1A5 1.17(3) .
O2A5 C1A5 1.25(3) .
C1A5 C2A5 1.63(4) .
C2A5 C3A5 1.61(11) .
C3A5 S5A 1.36(11) .
C3A5 S5 1.85(13) .
S5 S5A 2.22(8) .
N2 C5N2 1.48(3) .
N2 C3N2 1.50(4) .
N2 C1N2 1.540(2) .
O1N2 C2N2 1.44(4) .
O2N2 C4N2 1.32(4) .
C1N2 C2N2 1.369(5) .
C3N2 C4N2 1.370(5) .
C5N2 C6N2 1.49(4) .
C6N2 C7N2 1.38(5) .
C7N2 C8N2 1.45(6) .
O1X2 C1X2 1.23(3) .
O2X2 C1X2 1.25(3) 3_245
O3X2 C2X2 1.26(3) 3_245
O4X2 C2X2 1.25(3) .
C1X2 O2X2 1.25(3) 2_475
C1X2 C2X2 1.66(3) .
C2X2 O3X2 1.26(3) 2_475
O1G2 C1G2 1.30(3) .
O2G2 C1G2 1.21(3) .
O3G2 C2G2 1.43(2) .
C1G2 C2G2 1.49(3) .
O1A6 C1A6 1.22(3) .
O2A6 C1A6 1.35(3) .
C1A6 C2A6 1.47(4) .
C2A6 C3A6 1.22(6) .
C2A6 C4A6 1.28(6) .
C3A6 C4A6 1.00(7) .
C3A6 S61A 1.77(10) .
C3A6 S61 2.23(12) .
C4A6 S61 1.59(12) .
C4A6 S61A 1.59(10) .
S61 S61A 0.98(11) .
S61 C5A6 1.4(2) .
S61 C6A6 1.77(14) .
S61A C6A6 1.57(12) .
S61A C5A6 1.9(2) .
C5A6 C6A6 1.3(2) .
O1A7 C1A7 1.32(3) .
O2A7 C1A7 1.22(3) .
C1A7 C2A7 1.52(4) .
O1A8 C1A9 1.21(4) .
O2A8 C1A9 1.22(4) .
C1A9 C2A9 1.46(4) .
O1A9 C1A8 1.21(3) .
O2A9 C1A8 1.33(3) .
C1A8 C2A8 1.44(4) .
O1A0 C1A0 1.21(4) .
O2A0 C1A0 1.54(5) .
C1A0 C2A0 1.368(5) .
O51 C51 1.31(3) .
O52 C51 1.26(4) .
C51 C52 1.41(5) .
O61 C61 1.30(3) .
O62 C61 1.29(3) 2_485
C61 O62 1.29(3) 3_145
C61 C62 1.50(4) .
C62 C63A 1.38(9) .
C62 C63 1.39(7) .
C63 C63A 0.77(9) .
C63 S6B 1.94(9) .
C63 S6A 2.04(8) .
C63 S6 2.06(11) .
C63A S6B 1.41(11) .
C63A S6A 1.70(9) .
C63A S6 1.99(13) .
S6 S6A 0.72(8) .
S6 S6B 1.35(12) .
S6 C64 1.53(13) .
S6A S6B 0.76(6) .
S6A C64 2.20(10) .
O5W O10W 1.73(10) .
N1S C1S 1.17(5) .
C1S C2S 1.52(5) .
