#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:03:07 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179047 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/09/4300953.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_4300953
loop_
_publ_author_name
'Zdenek Spichal'
'Marek Necas'
'Jiri Pinkas'
_publ_section_title
;

From Parquets to Bricks: A Series of Lanthanide Coordination Polymers

with Bis(diphenylphosphino)ethane Dioxide

;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2074
_journal_page_last               2080
_journal_paper_doi               10.1021/ic048826f
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C40 H36 Dy N3 O13 P3'
_chemical_formula_weight         1022.13
_chemical_name_systematic
; 

 ? 

;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.292(7)
_cell_angle_beta                 101.748(7)
_cell_angle_gamma                91.687(6)
_cell_formula_units_Z            4
_cell_length_a                   10.8632(9)
_cell_length_b                   19.1127(13)
_cell_length_c                   21.6580(17)
_cell_measurement_temperature    120(2)
_cell_volume                     4270.9(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0442
_diffrn_reflns_av_sigmaI/netI    0.0531
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            45137
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.91
_exptl_absorpt_coefficient_mu    1.929
_exptl_absorpt_correction_T_max  0.6990
_exptl_absorpt_correction_T_min  0.4455
_exptl_crystal_density_diffrn    1.590
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2048
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.614
_refine_diff_density_min         -1.479
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1081
_refine_ls_number_reflns         15003
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0622
_refine_ls_R_factor_gt           0.0475
_refine_ls_shift/su_max          1.870
_refine_ls_shift/su_mean         0.024
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0538P)²+13.1441P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1129
_refine_ls_wR_factor_ref         0.1204
_reflns_number_gt                11900
_reflns_number_total             15003
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic048826fsi20040825_065511_08.cif
_cod_data_source_block           9
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4300953
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.96167(2) 0.245251(15) 0.239763(13) 0.02021(9) Uani 1 1 d . . .
Dy2 Dy 0.72545(2) 0.707211(16) 0.259046(13) 0.02134(9) Uani 1 1 d . . .
P1 P 0.66927(14) 0.12715(9) 0.16630(8) 0.0228(3) Uani 1 1 d . . .
P2 P 0.98451(14) 0.05520(9) 0.23811(8) 0.0244(3) Uani 1 1 d . . .
P3 P 0.87176(15) 0.39996(9) 0.16398(7) 0.0216(3) Uani 1 1 d . . .
P4 P 0.54752(14) 0.80683(9) 0.36902(7) 0.0235(3) Uani 1 1 d . . .
P5 P 0.39063(14) 0.64983(9) 0.22690(7) 0.0228(3) Uani 1 1 d . . .
P6 P 0.77303(15) 0.54736(9) 0.33238(7) 0.0233(3) Uani 1 1 d . . .
O1 O 0.7694(4) 0.1879(2) 0.1870(2) 0.0253(9) Uani 1 1 d . . .
O2 O 1.0247(4) 0.1318(2) 0.2418(2) 0.0254(9) Uani 1 1 d . . .
O3 O 0.9059(4) 0.3342(2) 0.18808(19) 0.0247(9) Uani 1 1 d . . .
O4 O 0.6497(4) 0.7609(2) 0.34790(19) 0.0240(9) Uani 1 1 d . . .
O5 O 0.5246(4) 0.6599(2) 0.22052(18) 0.0227(9) Uani 1 1 d . . .
O6 O 0.7551(4) 0.6148(2) 0.30880(19) 0.0263(9) Uani 1 1 d . . .
O11 O 1.1358(4) 0.2591(3) 0.3349(2) 0.0396(12) Uani 1 1 d . . .
O12 O 1.0778(4) 0.3560(2) 0.3090(2) 0.0391(12) Uani 1 1 d . . .
O13 O 1.2352(5) 0.3611(3) 0.3899(3) 0.0646(18) Uani 1 1 d . . .
O21 O 0.8191(4) 0.3120(2) 0.3034(2) 0.0374(11) Uani 1 1 d . . .
O22 O 0.8720(4) 0.2125(3) 0.3279(2) 0.0425(13) Uani 1 1 d . . .
O23 O 0.7439(5) 0.2773(3) 0.3783(2) 0.0488(14) Uani 1 1 d . . .
O31 O 1.1493(4) 0.2491(3) 0.1952(2) 0.0328(11) Uani 1 1 d . . .
O32 O 0.9847(4) 0.1925(2) 0.1266(2) 0.0330(11) Uani 1 1 d . . .
O33 O 1.1650(5) 0.1972(3) 0.0978(3) 0.0553(15) Uani 1 1 d . . .
O41 O 0.7977(5) 0.8269(3) 0.2456(2) 0.0435(12) Uani 1 1 d . . .
O42 O 0.5970(4) 0.8020(2) 0.2220(2) 0.0312(10) Uani 1 1 d . . .
O43 O 0.6755(7) 0.8950(3) 0.1987(3) 0.075(2) Uani 1 1 d . . .
O51 O 0.9502(4) 0.6959(3) 0.2593(2) 0.0400(12) Uani 1 1 d . . .
O52 O 0.9093(4) 0.7606(3) 0.3473(2) 0.0346(11) Uani 1 1 d . . .
O53 O 1.1041(4) 0.7473(3) 0.3408(3) 0.0584(16) Uani 1 1 d . . .
O61 O 0.7272(4) 0.7033(2) 0.1446(2) 0.0340(11) Uani 1 1 d . . .
O62 O 0.7410(4) 0.6024(2) 0.1725(2) 0.0312(10) Uani 1 1 d . . .
O63 O 0.7430(5) 0.6060(3) 0.0732(2) 0.0479(14) Uani 1 1 d . . .
N10 N 1.1514(5) 0.3262(3) 0.3462(3) 0.0357(14) Uani 1 1 d . . .
N20 N 0.8097(5) 0.2671(3) 0.3382(2) 0.0334(13) Uani 1 1 d . . .
N30 N 1.1026(5) 0.2128(3) 0.1389(3) 0.0336(13) Uani 1 1 d . . .
N40 N 0.6907(7) 0.8423(3) 0.2220(3) 0.0414(15) Uani 1 1 d . . .
N50 N 0.9911(5) 0.7345(3) 0.3162(3) 0.0389(14) Uani 1 1 d . . .
N60 N 0.7377(5) 0.6371(3) 0.1290(2) 0.0289(13) Uani 1 1 d . . .
C1 C 0.7348(6) 0.0430(3) 0.1693(3) 0.0285(14) Uani 1 1 d . . .
H1A H 0.6648 0.0048 0.1583 0.034 Uiso 1 1 calc R . .
H1B H 0.7852 0.0314 0.1355 0.034 Uiso 1 1 calc R . .
C2 C 0.8185(5) 0.0409(3) 0.2348(3) 0.0257(14) Uani 1 1 d . . .
H2A H 0.8019 -0.0065 0.2439 0.031 Uiso 1 1 calc R . .
H2B H 0.7950 0.0784 0.2694 0.031 Uiso 1 1 calc R . .
C3 C 0.8749(6) 0.4775(3) 0.2296(3) 0.0254(14) Uani 1 1 d . . .
H3A H 0.9591 0.4852 0.2593 0.030 Uiso 1 1 calc R . .
H3B H 0.8610 0.5207 0.2119 0.030 Uiso 1 1 calc R . .
C4 C 0.3988(5) 0.7827(3) 0.3112(3) 0.0267(14) Uani 1 1 d . . .
H4A H 0.3332 0.8120 0.3274 0.032 Uiso 1 1 calc R . .
H4B H 0.4066 0.7928 0.2693 0.032 Uiso 1 1 calc R . .
C5 C 0.3604(6) 0.7024(4) 0.3013(3) 0.0277(14) Uani 1 1 d . . .
H5A H 0.2695 0.6961 0.3008 0.033 Uiso 1 1 calc R . .
H5B H 0.4079 0.6850 0.3381 0.033 Uiso 1 1 calc R . .
C6 C 0.7740(6) 0.4686(3) 0.2679(3) 0.0250(13) Uani 1 1 d . . .
H6A H 0.7896 0.4262 0.2867 0.030 Uiso 1 1 calc R . .
H6B H 0.6902 0.4592 0.2379 0.030 Uiso 1 1 calc R . .
C1A C 0.5525(5) 0.1401(4) 0.2143(3) 0.0287(15) Uani 1 1 d . . .
C2A C 0.4868(7) 0.0825(4) 0.2265(4) 0.0429(18) Uani 1 1 d . . .
H2AA H 0.5092 0.0347 0.2125 0.051 Uiso 1 1 calc R . .
C3A C 0.3894(7) 0.0951(6) 0.2587(4) 0.063(3) Uani 1 1 d . . .
H3AA H 0.3439 0.0561 0.2667 0.075 Uiso 1 1 calc R . .
C4A C 0.3590(7) 0.1646(6) 0.2789(4) 0.057(3) Uani 1 1 d . . .
H4AA H 0.2919 0.1735 0.3011 0.069 Uiso 1 1 calc R . .
C5A C 0.4236(7) 0.2215(5) 0.2678(4) 0.051(2) Uani 1 1 d . . .
H5AA H 0.4006 0.2692 0.2817 0.061 Uiso 1 1 calc R . .
C6A C 0.5223(6) 0.2093(4) 0.2363(3) 0.0350(16) Uani 1 1 d . . .
H6AA H 0.5692 0.2488 0.2299 0.042 Uiso 1 1 calc R . .
C1B C 0.5901(6) 0.1184(3) 0.0834(3) 0.0292(15) Uani 1 1 d . . .
C2B C 0.6657(7) 0.1255(4) 0.0394(3) 0.0353(16) Uani 1 1 d . . .
H2BA H 0.7547 0.1337 0.0536 0.042 Uiso 1 1 calc R . .
C3B C 0.6089(8) 0.1205(4) -0.0247(4) 0.049(2) Uani 1 1 d . . .
H3BA H 0.6593 0.1256 -0.0547 0.059 Uiso 1 1 calc R . .
C4B C 0.4813(9) 0.1083(5) -0.0452(4) 0.058(2) Uani 1 1 d . . .
H4BA H 0.4432 0.1055 -0.0894 0.070 Uiso 1 1 calc R . .
C5B C 0.4076(8) 0.1000(5) -0.0026(4) 0.058(2) Uani 1 1 d . . .
H5BA H 0.3188 0.0910 -0.0176 0.069 Uiso 1 1 calc R . .
C6B C 0.4614(7) 0.1045(4) 0.0628(4) 0.0414(18) Uani 1 1 d . . .
H6BA H 0.4104 0.0982 0.0922 0.050 Uiso 1 1 calc R . .
C1C C 1.0636(5) 0.0272(4) 0.3091(3) 0.0282(14) Uani 1 1 d . . .
C2C C 1.0516(7) -0.0442(4) 0.3130(4) 0.0420(18) Uani 1 1 d . . .
H2CA H 1.0040 -0.0796 0.2771 0.050 Uiso 1 1 calc R . .
C3C C 1.1089(7) -0.0639(4) 0.3691(4) 0.048(2) Uani 1 1 d . . .
H3CA H 1.0995 -0.1126 0.3718 0.058 Uiso 1 1 calc R . .
C4C C 1.1785(7) -0.0138(5) 0.4201(4) 0.047(2) Uani 1 1 d . . .
H4CA H 1.2171 -0.0272 0.4587 0.057 Uiso 1 1 calc R . .
C5C C 1.1927(9) 0.0555(5) 0.4158(4) 0.057(2) Uani 1 1 d . . .
H5CA H 1.2443 0.0901 0.4509 0.068 Uiso 1 1 calc R . .
C6C C 1.1333(7) 0.0767(4) 0.3609(3) 0.0423(18) Uani 1 1 d . . .
H6CA H 1.1412 0.1259 0.3595 0.051 Uiso 1 1 calc R . .
C1D C 1.0134(6) -0.0038(4) 0.1652(3) 0.0314(15) Uani 1 1 d . . .
C2D C 0.9515(6) -0.0713(4) 0.1403(4) 0.0401(17) Uani 1 1 d . . .
H2DA H 0.8989 -0.0905 0.1635 0.048 Uiso 1 1 calc R . .
C3D C 0.9674(7) -0.1106(4) 0.0806(4) 0.0458(19) Uani 1 1 d . . .
H3DA H 0.9240 -0.1570 0.0625 0.055 Uiso 1 1 calc R . .
C4D C 1.0450(8) -0.0839(5) 0.0470(4) 0.051(2) Uani 1 1 d . . .
H4DA H 1.0541 -0.1113 0.0059 0.061 Uiso 1 1 calc R . .
C5D C 1.1097(8) -0.0169(4) 0.0737(4) 0.048(2) Uani 1 1 d . . .
H5DA H 1.1658 0.0008 0.0514 0.058 Uiso 1 1 calc R . .
C6D C 1.0937(6) 0.0243(4) 0.1319(3) 0.0381(17) Uani 1 1 d . . .
H6DA H 1.1361 0.0710 0.1493 0.046 Uiso 1 1 calc R . .
C1E C 0.9796(5) 0.4242(3) 0.1184(3) 0.0232(13) Uani 1 1 d . . .
C2E C 0.9985(7) 0.4928(4) 0.1110(3) 0.0351(16) Uani 1 1 d . . .
H2EA H 0.9510 0.5299 0.1292 0.042 Uiso 1 1 calc R . .
C3E C 1.0863(7) 0.5079(4) 0.0772(3) 0.0423(18) Uani 1 1 d . . .
H3EA H 1.0996 0.5557 0.0727 0.051 Uiso 1 1 calc R . .
C4E C 1.1546(6) 0.4549(4) 0.0503(3) 0.0378(17) Uani 1 1 d . . .
H4EA H 1.2155 0.4659 0.0273 0.045 Uiso 1 1 calc R . .
C5E C 1.1350(7) 0.3858(5) 0.0562(3) 0.047(2) Uani 1 1 d . . .
H5EA H 1.1819 0.3488 0.0371 0.056 Uiso 1 1 calc R . .
C6E C 1.0474(6) 0.3700(4) 0.0900(3) 0.0348(16) Uani 1 1 d . . .
H6EA H 1.0333 0.3220 0.0938 0.042 Uiso 1 1 calc R . .
C1F C 0.7159(5) 0.3818(3) 0.1128(3) 0.0238(13) Uani 1 1 d . . .
C2F C 0.6490(6) 0.3170(4) 0.1084(3) 0.0312(15) Uani 1 1 d . . .
H2FA H 0.6835 0.2853 0.1341 0.037 Uiso 1 1 calc R . .
C3F C 0.5323(6) 0.2987(4) 0.0664(4) 0.0377(17) Uani 1 1 d . . .
H3FA H 0.4874 0.2541 0.0629 0.045 Uiso 1 1 calc R . .
C4F C 0.4807(6) 0.3451(4) 0.0297(3) 0.0350(16) Uani 1 1 d . . .
H4FA H 0.4004 0.3324 0.0011 0.042 Uiso 1 1 calc R . .
C5F C 0.5457(6) 0.4095(4) 0.0347(3) 0.0374(17) Uani 1 1 d . . .
H5FA H 0.5098 0.4414 0.0094 0.045 Uiso 1 1 calc R . .
C6F C 0.6642(6) 0.4287(4) 0.0764(3) 0.0301(15) Uani 1 1 d . . .
H6FA H 0.7087 0.4734 0.0797 0.036 Uiso 1 1 calc R . .
C1G C 0.5923(6) 0.8999(4) 0.3799(3) 0.0282(14) Uani 1 1 d . . .
C2G C 0.5091(7) 0.9536(4) 0.3910(4) 0.0449(19) Uani 1 1 d . . .
H2GA H 0.4253 0.9404 0.3930 0.054 Uiso 1 1 calc R . .
C3G C 0.5463(8) 1.0245(5) 0.3991(4) 0.058(2) Uani 1 1 d . . .
H3GA H 0.4886 1.0603 0.4063 0.069 Uiso 1 1 calc R . .
C4G C 0.6686(8) 1.0440(4) 0.3967(4) 0.051(2) Uani 1 1 d . . .
H4GA H 0.6943 1.0933 0.4020 0.061 Uiso 1 1 calc R . .
C5G C 0.7527(7) 0.9930(4) 0.3867(4) 0.0429(18) Uani 1 1 d . . .
H5GA H 0.8364 1.0069 0.3851 0.051 Uiso 1 1 calc R . .
C6G C 0.7154(6) 0.9209(4) 0.3790(3) 0.0366(16) Uani 1 1 d . . .
H6GA H 0.7744 0.8855 0.3731 0.044 Uiso 1 1 calc R . .
C1H C 0.5189(6) 0.7909(3) 0.4438(3) 0.0251(13) Uani 1 1 d . . .
C2H C 0.6195(6) 0.7721(4) 0.4866(3) 0.0340(16) Uani 1 1 d . . .
H2HA H 0.7002 0.7687 0.4762 0.041 Uiso 1 1 calc R . .
C3H C 0.6016(7) 0.7585(4) 0.5439(3) 0.0399(17) Uani 1 1 d . . .
H3HA H 0.6707 0.7474 0.5737 0.048 Uiso 1 1 calc R . .
C4H C 0.4839(7) 0.7610(4) 0.5580(3) 0.0393(17) Uani 1 1 d . . .
H4HA H 0.4715 0.7508 0.5973 0.047 Uiso 1 1 calc R . .
C5H C 0.3850(7) 0.7778(4) 0.5158(3) 0.0366(16) Uani 1 1 d . . .
H5HA H 0.3036 0.7785 0.5256 0.044 Uiso 1 1 calc R . .
C6H C 0.4014(6) 0.7937(4) 0.4596(3) 0.0321(15) Uani 1 1 d . . .
H6HA H 0.3321 0.8068 0.4311 0.038 Uiso 1 1 calc R . .
C1I C 0.3548(6) 0.5580(4) 0.2251(3) 0.0305(15) Uani 1 1 d . . .
C2I C 0.2649(6) 0.5360(4) 0.2562(4) 0.0431(19) Uani 1 1 d . . .
H2IA H 0.2170 0.5699 0.2785 0.052 Uiso 1 1 calc R . .
C3I C 0.2480(8) 0.4625(6) 0.2535(5) 0.067(3) Uani 1 1 d . . .
H3IA H 0.1882 0.4466 0.2749 0.080 Uiso 1 1 calc R . .
C4I C 0.3149(8) 0.4129(5) 0.2211(5) 0.060(3) Uani 1 1 d . . .
H4IA H 0.2999 0.3632 0.2193 0.072 Uiso 1 1 calc R . .
C5I C 0.4038(9) 0.4350(4) 0.1912(4) 0.057(2) Uani 1 1 d . . .
H5IA H 0.4518 0.4006 0.1694 0.069 Uiso 1 1 calc R . .
C6I C 0.4233(7) 0.5067(4) 0.1926(3) 0.0400(17) Uani 1 1 d . . .
H6IA H 0.4841 0.5216 0.1714 0.048 Uiso 1 1 calc R . .
C1J C 0.2866(5) 0.6775(3) 0.1632(3) 0.0229(13) Uani 1 1 d . . .
C2J C 0.3325(6) 0.6887(4) 0.1100(3) 0.0336(16) Uani 1 1 d . . .
H2JA H 0.4178 0.6813 0.1079 0.040 Uiso 1 1 calc R . .
C3J C 0.2533(7) 0.7104(4) 0.0604(3) 0.0418(18) Uani 1 1 d . . .
H3JA H 0.2840 0.7176 0.0241 0.050 Uiso 1 1 calc R . .
C4J C 0.1302(7) 0.7217(4) 0.0638(3) 0.0426(18) Uani 1 1 d . . .
H4JA H 0.0759 0.7361 0.0294 0.051 Uiso 1 1 calc R . .
C5J C 0.0844(6) 0.7124(4) 0.1167(3) 0.0393(17) Uani 1 1 d . . .
H5JA H 0.0001 0.7219 0.1193 0.047 Uiso 1 1 calc R . .
C6J C 0.1612(6) 0.6892(4) 0.1657(3) 0.0308(15) Uani 1 1 d . . .
H6JA H 0.1288 0.6811 0.2012 0.037 Uiso 1 1 calc R . .
C1K C 0.6460(6) 0.5275(3) 0.3688(3) 0.0262(14) Uani 1 1 d . . .
C2K C 0.5797(6) 0.5842(4) 0.3941(3) 0.0340(16) Uani 1 1 d . . .
H2KA H 0.6030 0.6318 0.3921 0.041 Uiso 1 1 calc R . .
C3K C 0.4799(7) 0.5720(5) 0.4221(4) 0.0446(19) Uani 1 1 d . . .
H3KA H 0.4361 0.6113 0.4400 0.054 Uiso 1 1 calc R . .
C4K C 0.4442(7) 0.5029(5) 0.4240(3) 0.0421(18) Uani 1 1 d . . .
H4KA H 0.3742 0.4943 0.4421 0.051 Uiso 1 1 calc R . .
C5K C 0.5097(6) 0.4466(4) 0.3998(3) 0.0395(17) Uani 1 1 d . . .
H5KA H 0.4857 0.3992 0.4019 0.047 Uiso 1 1 calc R . .
C6K C 0.6107(6) 0.4581(4) 0.3722(3) 0.0342(16) Uani 1 1 d . . .
H6KA H 0.6557 0.4187 0.3557 0.041 Uiso 1 1 calc R . .
C1L C 0.9178(6) 0.5578(4) 0.3904(3) 0.0280(14) Uani 1 1 d . . .
C2L C 0.9881(6) 0.5004(4) 0.4014(3) 0.0391(17) Uani 1 1 d . . .
H2LA H 0.9610 0.4527 0.3763 0.047 Uiso 1 1 calc R . .
C3L C 1.0980(7) 0.5132(5) 0.4493(4) 0.052(2) Uani 1 1 d . . .
H3LA H 1.1458 0.4739 0.4567 0.062 Uiso 1 1 calc R . .
C4L C 1.1381(7) 0.5800(6) 0.4854(4) 0.059(3) Uani 1 1 d . . .
H4LA H 1.2144 0.5876 0.5174 0.070 Uiso 1 1 calc R . .
C5L C 1.0692(9) 0.6382(5) 0.4764(4) 0.065(3) Uani 1 1 d . . .
H5LA H 1.0967 0.6853 0.5027 0.078 Uiso 1 1 calc R . .
C6L C 0.9597(7) 0.6266(4) 0.4285(4) 0.047(2) Uani 1 1 d . . .
H6LA H 0.9126 0.6663 0.4215 0.056 Uiso 1 1 calc R . .
C100 C 0.998(2) 0.8395(14) 0.5116(13) 0.255(14) Uani 1 1 d . . .
O100 O 1.0936(16) 0.8253(7) 0.4779(7) 0.213(7) Uani 1 1 d . . .
C200 C 0.2915(19) 0.8918(13) 0.1996(10) 0.176(8) Uani 1 1 d . . .
O200 O 0.4159(17) 0.9131(9) 0.1891(9) 0.236(7) Uani 1 1 d . . .
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'
P P 0.1023 0.0942 '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
_geom_angle_publ_flag
O3 Dy1 O1 86.55(14) . . ?
O3 Dy1 O2 152.46(14) . . ?
O1 Dy1 O2 85.56(14) . . ?
O3 Dy1 O31 83.64(14) . . ?
O1 Dy1 O31 126.90(15) . . ?
O2 Dy1 O31 80.17(15) . . ?
O3 Dy1 O12 73.60(15) . . ?
O1 Dy1 O12 146.62(15) . . ?
O2 Dy1 O12 123.80(14) . . ?
O31 Dy1 O12 78.10(17) . . ?
O3 Dy1 O11 124.27(15) . . ?
O1 Dy1 O11 145.59(15) . . ?
O2 Dy1 O11 73.04(15) . . ?
O31 Dy1 O11 76.37(16) . . ?
O12 Dy1 O11 51.69(15) . . ?
O3 Dy1 O21 76.91(15) . . ?
O1 Dy1 O21 77.71(15) . . ?
O2 Dy1 O21 126.68(15) . . ?
O31 Dy1 O21 147.75(15) . . ?
O12 Dy1 O21 71.89(16) . . ?
O11 Dy1 O21 93.60(17) . . ?
O3 Dy1 O32 76.73(14) . . ?
O1 Dy1 O32 75.08(15) . . ?
O2 Dy1 O32 75.74(14) . . ?
O31 Dy1 O32 51.86(15) . . ?
O12 Dy1 O32 123.78(16) . . ?
O11 Dy1 O32 122.90(16) . . ?
O21 Dy1 O32 142.89(15) . . ?
O3 Dy1 O22 127.55(15) . . ?
O1 Dy1 O22 76.06(16) . . ?
O2 Dy1 O22 75.67(15) . . ?
O31 Dy1 O22 145.11(15) . . ?
O12 Dy1 O22 94.84(18) . . ?
O11 Dy1 O22 72.75(17) . . ?
O21 Dy1 O22 51.29(15) . . ?
O32 Dy1 O22 140.49(17) . . ?
O3 Dy1 N10 99.02(15) . . ?
O1 Dy1 N10 157.56(16) . . ?
O2 Dy1 N10 98.29(15) . . ?
O31 Dy1 N10 75.48(16) . . ?
O12 Dy1 N10 25.95(15) . . ?
O11 Dy1 N10 25.74(14) . . ?
O21 Dy1 N10 82.40(16) . . ?
O32 Dy1 N10 127.33(16) . . ?
O22 Dy1 N10 83.46(17) . . ?
O3 Dy1 N30 79.92(14) . . ?
O1 Dy1 N30 101.41(16) . . ?
O2 Dy1 N30 75.87(15) . . ?
O31 Dy1 N30 25.49(15) . . ?
O12 Dy1 N30 101.16(17) . . ?
O11 Dy1 N30 99.11(17) . . ?
O21 Dy1 N30 156.82(15) . . ?
O32 Dy1 N30 26.39(15) . . ?
O22 Dy1 N30 151.54(16) . . ?
N10 Dy1 N30 100.96(17) . . ?
O3 Dy1 N20 102.39(15) . . ?
O1 Dy1 N20 75.19(15) . . ?
O2 Dy1 N20 101.01(16) . . ?
O31 Dy1 N20 157.73(15) . . ?
O12 Dy1 N20 83.06(17) . . ?
O11 Dy1 N20 82.69(16) . . ?
O21 Dy1 N20 25.80(15) . . ?
O32 Dy1 N20 150.26(15) . . ?
O22 Dy1 N20 25.49(15) . . ?
N10 Dy1 N20 82.38(16) . . ?
N30 Dy1 N20 175.67(17) . . ?
O5 Dy2 O6 86.53(15) . . ?
O5 Dy2 O4 83.11(14) . . ?
O6 Dy2 O4 84.17(14) . . ?
O5 Dy2 O62 76.27(14) . . ?
O6 Dy2 O62 75.15(14) . . ?
O4 Dy2 O62 151.44(15) . . ?
O5 Dy2 O51 148.34(15) . . ?
O6 Dy2 O51 81.51(16) . . ?
O4 Dy2 O51 124.27(15) . . ?
O62 Dy2 O51 72.35(15) . . ?
O5 Dy2 O61 85.23(15) . . ?
O6 Dy2 O61 126.89(14) . . ?
O4 Dy2 O61 145.98(14) . . ?
O62 Dy2 O61 51.93(14) . . ?
O51 Dy2 O61 78.93(15) . . ?
O5 Dy2 O52 153.36(14) . . ?
O6 Dy2 O52 80.19(16) . . ?
O4 Dy2 O52 72.70(14) . . ?
O62 Dy2 O52 121.50(14) . . ?
O51 Dy2 O52 51.88(14) . . ?
O61 Dy2 O52 121.16(15) . . ?
O5 Dy2 O41 122.15(15) . . ?
O6 Dy2 O41 150.29(16) . . ?
O4 Dy2 O41 91.29(16) . . ?
O62 Dy2 O41 116.37(15) . . ?
O51 Dy2 O41 76.91(17) . . ?
O61 Dy2 O41 68.44(16) . . ?
O52 Dy2 O41 70.46(16) . . ?
O5 Dy2 O42 71.95(15) . . ?
O6 Dy2 O42 152.32(15) . . ?
O4 Dy2 O42 76.32(14) . . ?
O62 Dy2 O42 114.67(14) . . ?
O51 Dy2 O42 125.77(16) . . ?
O61 Dy2 O42 69.68(14) . . ?
O52 Dy2 O42 111.64(15) . . ?
O41 Dy2 O42 50.99(16) . . ?
O5 Dy2 N60 80.00(14) . . ?
O6 Dy2 N60 101.22(15) . . ?
O4 Dy2 N60 161.88(14) . . ?
O62 Dy2 N60 26.18(14) . . ?
O51 Dy2 N60 73.81(15) . . ?
O61 Dy2 N60 25.75(14) . . ?
O52 Dy2 N60 125.10(14) . . ?
O41 Dy2 N60 92.16(16) . . ?
O42 Dy2 N60 92.16(14) . . ?
O5 Dy2 N50 166.04(16) . . ?
O6 Dy2 N50 79.88(16) . . ?
O4 Dy2 N50 98.55(15) . . ?
O62 Dy2 N50 96.98(16) . . ?
O51 Dy2 N50 25.89(15) . . ?
O61 Dy2 N50 100.35(16) . . ?
O52 Dy2 N50 25.98(15) . . ?
O41 Dy2 N50 71.77(17) . . ?
O42 Dy2 N50 121.96(16) . . ?
N60 Dy2 N50 99.43(15) . . ?
O5 Dy2 N40 96.88(17) . . ?
O6 Dy2 N40 168.39(15) . . ?
O4 Dy2 N40 85.22(16) . . ?
O62 Dy2 N40 116.43(15) . . ?
O51 Dy2 N40 100.70(19) . . ?
O61 Dy2 N40 64.60(15) . . ?
O52 Dy2 N40 92.15(17) . . ?
O41 Dy2 N40 25.41(16) . . ?
O42 Dy2 N40 25.74(16) . . ?
N60 Dy2 N40 90.31(16) . . ?
N50 Dy2 N40 97.07(19) . . ?
O1 P1 C1A 112.3(3) . . ?
O1 P1 C1 111.3(3) . . ?
C1A P1 C1 109.2(3) . . ?
O1 P1 C1B 110.3(3) . . ?
C1A P1 C1B 107.4(3) . . ?
C1 P1 C1B 106.1(3) . . ?
O2 P2 C2 112.9(3) . . ?
O2 P2 C1C 111.2(3) . . ?
C2 P2 C1C 105.5(3) . . ?
O2 P2 C1D 110.6(3) . . ?
C2 P2 C1D 106.0(3) . . ?
C1C P2 C1D 110.5(3) . . ?
O3 P3 C1E 112.2(3) . . ?
O3 P3 C3 111.8(3) . . ?
C1E P3 C3 105.8(3) . . ?
O3 P3 C1F 108.3(3) . . ?
C1E P3 C1F 109.0(3) . . ?
C3 P3 C1F 109.6(3) . . ?
O4 P4 C1G 110.7(3) . . ?
O4 P4 C1H 109.7(3) . . ?
C1G P4 C1H 109.7(3) . . ?
O4 P4 C4 111.7(3) . . ?
C1G P4 C4 109.5(3) . . ?
C1H P4 C4 105.5(3) . . ?
O5 P5 C1I 109.1(3) . . ?
O5 P5 C1J 109.9(3) . . ?
C1I P5 C1J 111.3(3) . . ?
O5 P5 C5 113.6(3) . . ?
C1I P5 C5 106.9(3) . . ?
C1J P5 C5 105.9(3) . . ?
O6 P6 C1L 109.4(3) . . ?
O6 P6 C1K 111.0(3) . . ?
C1L P6 C1K 109.4(3) . . ?
O6 P6 C6 113.0(3) . . ?
C1L P6 C6 108.7(3) . . ?
C1K P6 C6 105.2(3) . . ?
P1 O1 Dy1 155.6(3) . . ?
P2 O2 Dy1 146.4(2) . . ?
P3 O3 Dy1 171.5(3) . . ?
P4 O4 Dy2 143.0(2) . . ?
P5 O5 Dy2 152.2(2) . . ?
P6 O6 Dy2 172.1(3) . . ?
N10 O11 Dy1 95.7(3) . . ?
N10 O12 Dy1 96.3(4) . . ?
N20 O21 Dy1 96.9(3) . . ?
N20 O22 Dy1 96.0(4) . . ?
N30 O31 Dy1 97.7(3) . . ?
N30 O32 Dy1 93.9(3) . . ?
N40 O41 Dy2 95.2(4) . . ?
N40 O42 Dy2 94.8(4) . . ?
N50 O51 Dy2 96.1(3) . . ?
N50 O52 Dy2 95.3(4) . . ?
N60 O61 Dy2 95.0(3) . . ?
N60 O62 Dy2 95.5(3) . . ?
O13 N10 O11 122.0(6) . . ?
O13 N10 O12 121.7(6) . . ?
O11 N10 O12 116.3(5) . . ?
O13 N10 Dy1 177.5(5) . . ?
O11 N10 Dy1 58.6(3) . . ?
O12 N10 Dy1 57.7(3) . . ?
O23 N20 O22 123.0(6) . . ?
O23 N20 O21 121.2(6) . . ?
O22 N20 O21 115.8(5) . . ?
O23 N20 Dy1 178.2(5) . . ?
O22 N20 Dy1 58.6(3) . . ?
O21 N20 Dy1 57.3(3) . . ?
O33 N30 O31 122.1(6) . . ?
O33 N30 O32 121.4(6) . . ?
O31 N30 O32 116.5(5) . . ?
O33 N30 Dy1 177.3(5) . . ?
O31 N30 Dy1 56.8(3) . . ?
O32 N30 Dy1 59.7(3) . . ?
O43 N40 O41 121.5(7) . . ?
O43 N40 O42 120.2(7) . . ?
O41 N40 O42 118.3(6) . . ?
O43 N40 Dy2 172.2(5) . . ?
O41 N40 Dy2 59.3(3) . . ?
O42 N40 Dy2 59.5(3) . . ?
O53 N50 O51 122.6(6) . . ?
O53 N50 O52 120.7(6) . . ?
O51 N50 O52 116.7(5) . . ?
O53 N50 Dy2 178.9(5) . . ?
O51 N50 Dy2 58.0(3) . . ?
O52 N50 Dy2 58.7(3) . . ?
O63 N60 O61 121.6(5) . . ?
O63 N60 O62 120.8(5) . . ?
O61 N60 O62 117.6(5) . . ?
O63 N60 Dy2 179.1(5) . . ?
O61 N60 Dy2 59.2(3) . . ?
O62 N60 Dy2 58.3(3) . . ?
C2 C1 P1 115.0(4) . . ?
C1 C2 P2 113.5(4) . . ?
C6 C3 P3 111.8(4) . . ?
C5 C4 P4 109.6(4) . . ?
C4 C5 P5 111.7(4) . . ?
C3 C6 P6 112.2(4) . . ?
C6A C1A C2A 119.7(6) . . ?
C6A C1A P1 117.7(5) . . ?
C2A C1A P1 122.5(5) . . ?
C3A C2A C1A 120.1(8) . . ?
C4A C3A C2A 119.2(9) . . ?
C5A C4A C3A 121.2(7) . . ?
C4A C5A C6A 119.9(8) . . ?
C1A C6A C5A 119.9(7) . . ?
C6B C1B C2B 120.7(6) . . ?
C6B C1B P1 122.3(5) . . ?
C2B C1B P1 117.0(5) . . ?
C3B C2B C1B 119.1(7) . . ?
C4B C3B C2B 120.6(8) . . ?
C3B C4B C5B 120.4(7) . . ?
C4B C5B C6B 120.9(8) . . ?
C1B C6B C5B 118.3(7) . . ?
C6C C1C C2C 118.8(6) . . ?
C6C C1C P2 120.0(5) . . ?
C2C C1C P2 121.2(5) . . ?
C3C C2C C1C 120.1(7) . . ?
C4C C3C C2C 120.2(7) . . ?
C5C C4C C3C 119.6(7) . . ?
C4C C5C C6C 121.0(8) . . ?
C1C C6C C5C 120.1(7) . . ?
C2D C1D C6D 121.0(7) . . ?
C2D C1D P2 121.4(5) . . ?
C6D C1D P2 117.4(5) . . ?
C1D C2D C3D 118.5(7) . . ?
C4D C3D C2D 121.3(8) . . ?
C3D C4D C5D 119.5(7) . . ?
C6D C5D C4D 120.8(8) . . ?
C5D C6D C1D 118.9(7) . . ?
C2E C1E C6E 119.3(6) . . ?
C2E C1E P3 123.4(5) . . ?
C6E C1E P3 117.3(5) . . ?
C1E C2E C3E 120.2(7) . . ?
C4E C3E C2E 120.5(7) . . ?
C3E C4E C5E 120.0(7) . . ?
C4E C5E C6E 120.0(7) . . ?
C5E C6E C1E 120.0(7) . . ?
C6F C1F C2F 119.9(6) . . ?
C6F C1F P3 122.0(5) . . ?
C2F C1F P3 118.0(4) . . ?
C3F C2F C1F 120.0(6) . . ?
C4F C3F C2F 120.3(7) . . ?
C5F C4F C3F 119.8(6) . . ?
C4F C5F C6F 120.7(6) . . ?
C1F C6F C5F 119.3(6) . . ?
C6G C1G C2G 118.2(7) . . ?
C6G C1G P4 119.1(5) . . ?
C2G C1G P4 122.6(5) . . ?
C3G C2G C1G 121.2(7) . . ?
C2G C3G C4G 119.6(7) . . ?
C5G C4G C3G 120.7(8) . . ?
C4G C5G C6G 119.8(7) . . ?
C5G C6G C1G 120.4(7) . . ?
C6H C1H C2H 118.8(6) . . ?
C6H C1H P4 123.3(5) . . ?
C2H C1H P4 117.9(5) . . ?
C3H C2H C1H 119.9(6) . . ?
C2H C3H C4H 120.0(6) . . ?
C5H C4H C3H 120.2(6) . . ?
C4H C5H C6H 120.7(6) . . ?
C5H C6H C1H 120.3(6) . . ?
C6I C1I C2I 119.6(7) . . ?
C6I C1I P5 117.5(5) . . ?
C2I C1I P5 122.9(6) . . ?
C3I C2I C1I 117.9(8) . . ?
C4I C3I C2I 121.9(9) . . ?
C3I C4I C5I 120.0(8) . . ?
C6I C5I C4I 120.0(9) . . ?
C5I C6I C1I 120.7(8) . . ?
C6J C1J C2J 119.2(6) . . ?
C6J C1J P5 121.6(5) . . ?
C2J C1J P5 119.2(5) . . ?
C3J C2J C1J 119.9(6) . . ?
C4J C3J C2J 120.0(7) . . ?
C3J C4J C5J 120.7(6) . . ?
C6J C5J C4J 120.0(6) . . ?
C5J C6J C1J 120.2(6) . . ?
C2K C1K C6K 118.9(6) . . ?
C2K C1K P6 118.1(5) . . ?
C6K C1K P6 123.1(5) . . ?
C3K C2K C1K 120.6(7) . . ?
C4K C3K C2K 120.0(7) . . ?
C5K C4K C3K 119.9(7) . . ?
C4K C5K C6K 120.7(7) . . ?
C5K C6K C1K 119.9(6) . . ?
C6L C1L C2L 118.7(6) . . ?
C6L C1L P6 117.9(5) . . ?
C2L C1L P6 123.4(5) . . ?
C3L C2L C1L 119.5(7) . . ?
C4L C3L C2L 121.2(8) . . ?
C3L C4L C5L 120.7(7) . . ?
C6L C5L C4L 119.0(9) . . ?
C5L C6L C1L 120.9(8) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O3 2.274(4) . ?
Dy1 O1 2.278(4) . ?
Dy1 O2 2.301(4) . ?
Dy1 O31 2.433(4) . ?
Dy1 O12 2.436(5) . ?
Dy1 O11 2.455(4) . ?
Dy1 O21 2.471(4) . ?
Dy1 O32 2.492(4) . ?
Dy1 O22 2.501(4) . ?
Dy1 N10 2.863(6) . ?
Dy1 N30 2.880(5) . ?
Dy1 N20 2.916(5) . ?
Dy2 O5 2.251(4) . ?
Dy2 O6 2.269(4) . ?
Dy2 O4 2.285(4) . ?
Dy2 O62 2.445(4) . ?
Dy2 O51 2.457(4) . ?
Dy2 O61 2.466(4) . ?
Dy2 O52 2.472(4) . ?
Dy2 O41 2.495(5) . ?
Dy2 O42 2.496(4) . ?
Dy2 N60 2.859(5) . ?
Dy2 N50 2.880(5) . ?
Dy2 N40 2.888(6) . ?
P1 O1 1.490(4) . ?
P1 C1A 1.785(6) . ?
P1 C1 1.787(6) . ?
P1 C1B 1.794(6) . ?
P2 O2 1.494(4) . ?
P2 C2 1.801(6) . ?
P2 C1C 1.805(6) . ?
P2 C1D 1.807(7) . ?
P3 O3 1.496(4) . ?
P3 C1E 1.792(6) . ?
P3 C3 1.796(6) . ?
P3 C1F 1.800(6) . ?
P4 O4 1.514(4) . ?
P4 C1G 1.780(7) . ?
P4 C1H 1.800(6) . ?
P4 C4 1.805(6) . ?
P5 O5 1.501(4) . ?
P5 C1I 1.776(7) . ?
P5 C1J 1.787(6) . ?
P5 C5 1.790(6) . ?
P6 O6 1.496(4) . ?
P6 C1L 1.776(6) . ?
P6 C1K 1.794(6) . ?
P6 C6 1.805(6) . ?
O11 N10 1.249(7) . ?
O12 N10 1.260(7) . ?
O13 N10 1.222(7) . ?
O21 N20 1.279(7) . ?
O22 N20 1.262(7) . ?
O23 N20 1.219(7) . ?
O31 N30 1.251(7) . ?
O32 N30 1.283(7) . ?
O33 N30 1.216(7) . ?
O41 N40 1.244(8) . ?
O42 N40 1.259(7) . ?
O43 N40 1.227(8) . ?
O51 N50 1.265(7) . ?
O52 N50 1.267(7) . ?
O53 N50 1.227(7) . ?
O61 N60 1.247(7) . ?
O62 N60 1.267(6) . ?
O63 N60 1.232(7) . ?
C1 C2 1.532(8) . ?
C3 C6 1.529(8) . ?
C4 C5 1.532(9) . ?
C1A C6A 1.374(9) . ?
C1A C2A 1.398(9) . ?
C2A C3A 1.379(11) . ?
C3A C4A 1.373(13) . ?
C4A C5A 1.369(12) . ?
C5A C6A 1.381(10) . ?
C1B C6B 1.376(9) . ?
C1B C2B 1.404(9) . ?
C2B C3B 1.378(10) . ?
C3B C4B 1.363(12) . ?
C4B C5B 1.372(13) . ?
C5B C6B 1.398(10) . ?
C1C C6C 1.360(9) . ?
C1C C2C 1.390(9) . ?
C2C C3C 1.386(10) . ?
C3C C4C 1.357(11) . ?
C4C C5C 1.356(11) . ?
C5C C6C 1.384(10) . ?
C1D C2D 1.374(10) . ?
C1D C6D 1.407(10) . ?
C2D C3D 1.385(10) . ?
C3D C4D 1.377(11) . ?
C4D C5D 1.381(11) . ?
C5D C6D 1.371(10) . ?
C1E C2E 1.371(9) . ?
C1E C6E 1.389(8) . ?
C2E C3E 1.376(10) . ?
C3E C4E 1.366(10) . ?
C4E C5E 1.371(11) . ?
C5E C6E 1.379(10) . ?
C1F C6F 1.383(9) . ?
C1F C2F 1.392(9) . ?
C2F C3F 1.384(9) . ?
C3F C4F 1.379(9) . ?
C4F C5F 1.373(9) . ?
C5F C6F 1.398(9) . ?
C1G C6G 1.390(9) . ?
C1G C2G 1.398(9) . ?
C2G C3G 1.364(11) . ?
C3G C4G 1.383(12) . ?
C4G C5G 1.366(11) . ?
C5G C6G 1.388(10) . ?
C1H C6H 1.385(8) . ?
C1H C2H 1.395(8) . ?
C2H C3H 1.373(9) . ?
C3H C4H 1.374(10) . ?
C4H C5H 1.359(10) . ?
C5H C6H 1.365(9) . ?
C1I C6I 1.396(10) . ?
C1I C2I 1.400(10) . ?
C2I C3I 1.397(11) . ?
C3I C4I 1.363(14) . ?
C4I C5I 1.375(13) . ?
C5I C6I 1.373(10) . ?
C1J C6J 1.397(8) . ?
C1J C2J 1.401(9) . ?
C2J C3J 1.384(9) . ?
C3J C4J 1.374(10) . ?
C4J C5J 1.384(10) . ?
C5J C6J 1.376(9) . ?
C1K C2K 1.388(9) . ?
C1K C6K 1.393(9) . ?
C2K C3K 1.384(10) . ?
C3K C4K 1.378(11) . ?
C4K C5K 1.370(10) . ?
C5K C6K 1.385(9) . ?
C1L C6L 1.389(10) . ?
C1L C2L 1.394(9) . ?
C2L C3L 1.386(10) . ?
C3L C4L 1.343(12) . ?
C4L C5L 1.387(13) . ?
C5L C6L 1.385(10) . ?
C100 O100 1.39(2) . ?
C200 O200 1.48(2) . ?
