#------------------------------------------------------------------------------
#$Date: 2017-04-25 05:05:41 +0300 (Tue, 25 Apr 2017) $
#$Revision: 195740 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/27/7042773.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_7042773
loop_
_publ_author_name
'Liu, Mei-Jiao'
'Hu, kong-Qiu'
'Liu, Cai-Ming'
'Cui, Ai-Li'
'Kou, Hui-Zhong'
_publ_section_title
;
 Metallocyclic Ni4Ln2M2 single-molecule magnets
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT00948H
_journal_year                    2017
_chemical_formula_sum            'C102 H142 Cr2 Dy2 N22 Ni4 O34'
_chemical_formula_weight         2884.21
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2017-03-13 deposited with the CCDC.
2017-04-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.455(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.818(3)
_cell_length_b                   22.639(3)
_cell_length_c                   19.369(3)
_cell_measurement_reflns_used    20295
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      29.1051
_cell_measurement_theta_min      2.0757
_cell_volume                     7107.9(19)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Saturn724+ (2x2 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0462
_diffrn_reflns_av_unetI/netI     0.0509
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            54638
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.999
_diffrn_reflns_theta_min         2.076
_diffrn_source                   'Rotating Anode'
_exptl_absorpt_coefficient_mu    1.774
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7795
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.348
_exptl_crystal_description       Prism
_exptl_crystal_F_000             2944
_exptl_crystal_size_max          0.440
_exptl_crystal_size_mid          0.380
_exptl_crystal_size_min          0.120
_refine_diff_density_max         2.342
_refine_diff_density_min         -1.607
_refine_diff_density_rms         0.170
_refine_ls_extinction_coef       0.00147(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.123
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     839
_refine_ls_number_reflns         15458
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.132
_refine_ls_R_factor_all          0.0861
_refine_ls_R_factor_gt           0.0765
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0913P)²+23.1795P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1943
_refine_ls_wR_factor_ref         0.2028
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13614
_reflns_number_total             15458
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt00948h2.cif
_cod_data_source_block           1
_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 
;
_cod_original_cell_volume        7107.7(18)
_cod_database_code               7042773
_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   0.509
_shelx_estimated_absorpt_t_max   0.815
_shelxl_version_number           2013-2
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, 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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Dy1 Dy 0.99529(2) 0.49832(2) 0.29004(2) 0.03361(12) Uani 1 1 d . . .
Ni1 Ni 0.78223(5) 0.53476(4) 0.23820(4) 0.0388(2) Uani 1 1 d . . .
Ni2 Ni 1.20808(5) 0.46306(4) 0.33722(5) 0.0486(2) Uani 1 1 d . . .
Cr1 Cr 0.70222(6) 0.65960(4) 0.43138(6) 0.0375(2) Uani 1 1 d . . .
C1 C 0.7393(4) 0.6023(3) 0.3643(3) 0.0355(12) Uani 1 1 d . . .
C2 C 0.8197(4) 0.6943(3) 0.4583(3) 0.0375(13) Uani 1 1 d . . .
C3 C 0.7436(4) 0.6027(3) 0.5154(4) 0.0398(14) Uani 1 1 d . . .
C4 C 0.5845(5) 0.6249(4) 0.4041(5) 0.062(2) Uani 1 1 d . . .
C5 C 0.6674(4) 0.7174(3) 0.5013(4) 0.0473(15) Uani 1 1 d . . .
C6 C 0.6650(4) 0.7186(3) 0.3473(4) 0.0521(17) Uani 1 1 d . . .
C7 C 1.1524(4) 0.5877(3) 0.3513(3) 0.0420(14) Uani 1 1 d . . .
C8 C 1.0840(5) 0.3954(3) 0.2194(4) 0.056(2) Uani 1 1 d . . .
C9 C 1.0049(5) 0.3911(3) 0.1714(4) 0.0509(18) Uani 1 1 d . . .
C10 C 0.9839(6) 0.3471(3) 0.1199(5) 0.063(2) Uani 1 1 d . . .
H10A H 0.9298 0.3457 0.0886 0.075 Uiso 1 1 calc R U .
C11 C 0.9073(4) 0.6006(2) 0.1779(3) 0.0365(12) Uani 1 1 d . . .
C12 C 1.0879(4) 0.6292(3) 0.3454(3) 0.0388(13) Uani 1 1 d . . .
C13 C 1.0082(5) 0.6495(3) 0.1275(4) 0.0466(15) Uani 1 1 d . . .
H13A H 1.0625 0.6512 0.1218 0.056 Uiso 1 1 calc R U .
C14 C 0.9509(5) 0.6918(3) 0.0965(4) 0.0528(17) Uani 1 1 d . . .
H14A H 0.9656 0.7230 0.0695 0.063 Uiso 1 1 calc R U .
C15 C 0.8715(5) 0.6888(3) 0.1050(4) 0.0540(17) Uani 1 1 d . . .
H15A H 0.8320 0.7179 0.0831 0.065 Uiso 1 1 calc R U .
C16 C 0.8485(4) 0.6430(3) 0.1458(4) 0.0448(15) Uani 1 1 d . . .
C17 C 0.7624(5) 0.6413(3) 0.1458(4) 0.0559(18) Uani 1 1 d . . .
H17A H 0.7287 0.6727 0.1219 0.067 Uiso 1 1 calc R U .
C18 C 0.8992(5) 0.3691(3) 0.3075(4) 0.0462(15) Uani 1 1 d . . .
C19 C 0.8823(6) 0.3094(3) 0.3097(4) 0.061(2) Uani 1 1 d . . .
H19A H 0.9260 0.2821 0.3267 0.074 Uiso 1 1 calc R U .
C20 C 0.8356(4) 0.4106(3) 0.2819(3) 0.0453(15) Uani 1 1 d . . .
C21 C 1.0391(5) 0.3588(4) 0.3764(5) 0.074(3) Uani 1 1 d . . .
H21A H 1.0170 0.3410 0.4135 0.111 Uiso 1 1 calc R U .
H21B H 1.0866 0.3837 0.3988 0.111 Uiso 1 1 calc R U .
H21C H 1.0564 0.3275 0.3485 0.111 Uiso 1 1 calc R U .
C22 C 0.9501(4) 0.6384(4) 0.3548(5) 0.061(2) Uani 1 1 d . . .
H22A H 0.9754 0.6596 0.3994 0.092 Uiso 1 1 calc R U .
H22B H 0.9061 0.6127 0.3620 0.092 Uiso 1 1 calc R U .
H22C H 0.9268 0.6669 0.3167 0.092 Uiso 1 1 calc R U .
C23 C 0.9861(4) 0.6042(3) 0.1671(3) 0.0362(12) Uani 1 1 d . . .
C24 C 0.6368(4) 0.6109(4) 0.1663(5) 0.068(2) Uani 1 1 d . . .
H24A H 0.6164 0.6426 0.1308 0.081 Uiso 1 1 calc R U .
H24B H 0.6290 0.6242 0.2127 0.081 Uiso 1 1 calc R U .
C25 C 0.5852(4) 0.5557(5) 0.1425(5) 0.068(2) Uani 1 1 d . . .
C26 C 0.5986(5) 0.5107(4) 0.2033(5) 0.064(2) Uani 1 1 d . . .
H26A H 0.5906 0.5307 0.2464 0.077 Uiso 1 1 calc R U .
H26B H 0.5561 0.4795 0.1896 0.077 Uiso 1 1 calc R U .
C27 C 0.6020(6) 0.5285(6) 0.0746(5) 0.086(3) Uani 1 1 d . . .
H27A H 0.6601 0.5169 0.0849 0.129 Uiso 1 1 calc R U .
H27B H 0.5897 0.5578 0.0359 0.129 Uiso 1 1 calc R U .
H27C H 0.5668 0.4937 0.0600 0.129 Uiso 1 1 calc R U .
C28 C 0.6812(5) 0.4269(4) 0.2327(4) 0.0572(19) Uani 1 1 d . . .
H28A H 0.6291 0.4079 0.2231 0.069 Uiso 1 1 calc R U .
C29 C 0.7547(5) 0.3896(3) 0.2584(4) 0.0521(17) Uani 1 1 d . . .
C30 C 0.7384(6) 0.3279(4) 0.2625(4) 0.071(3) Uani 1 1 d . . .
H30A H 0.6832 0.3138 0.2480 0.085 Uiso 1 1 calc R U .
C31 C 0.8014(6) 0.2895(4) 0.2871(5) 0.069(2) Uani 1 1 d . . .
H31A H 0.7901 0.2485 0.2888 0.082 Uiso 1 1 calc R U .
C32 C 0.8746(6) 0.4393(4) 0.1240(4) 0.070(2) Uani 1 1 d . . .
H32A H 0.8856 0.4371 0.0768 0.105 Uiso 1 1 calc R U .
H32B H 0.8471 0.4767 0.1283 0.105 Uiso 1 1 calc R U .
H32C H 0.8389 0.4063 0.1293 0.105 Uiso 1 1 calc R U .
C33 C 1.0414(7) 0.3054(3) 0.1141(5) 0.068(2) Uani 1 1 d . . .
H33A H 1.0277 0.2750 0.0791 0.082 Uiso 1 1 calc R U .
C34 C 1.1187(7) 0.3087(3) 0.1599(5) 0.075(3) Uani 1 1 d . . .
H34A H 1.1578 0.2793 0.1565 0.089 Uiso 1 1 calc R U .
C35 C 1.1443(5) 0.3546(3) 0.2132(5) 0.058(2) Uani 1 1 d . . .
C36 C 1.2276(6) 0.3564(3) 0.2519(5) 0.064(2) Uani 1 1 d . . .
H36A H 1.2610 0.3251 0.2428 0.076 Uiso 1 1 calc R U .
C37 C 1.3058(5) 0.5721(4) 0.3725(5) 0.062(2) Uani 1 1 d . . .
H37A H 1.3575 0.5919 0.3843 0.074 Uiso 1 1 calc R U .
C38 C 1.2324(4) 0.6092(3) 0.3621(4) 0.0520(17) Uani 1 1 d . . .
C39 C 1.2455(5) 0.6718(4) 0.3677(5) 0.063(2) Uani 1 1 d . . .
H39A H 1.3000 0.6867 0.3760 0.076 Uiso 1 1 calc R U .
C40 C 1.1021(5) 0.6890(3) 0.3499(4) 0.0524(17) Uani 1 1 d . . .
H40A H 1.0574 0.7157 0.3451 0.063 Uiso 1 1 calc R U .
C41 C 1.1162(5) 0.5548(4) 0.1788(4) 0.060(2) Uani 1 1 d . . .
H41A H 1.1054 0.5563 0.1265 0.091 Uiso 1 1 calc R U .
H41B H 1.1441 0.5177 0.1967 0.091 Uiso 1 1 calc R U .
H41C H 1.1514 0.5882 0.2001 0.091 Uiso 1 1 calc R U .
C42 C 0.4941(6) 0.5745(6) 0.1262(6) 0.097(4) Uani 1 1 d . . .
H42A H 0.4835 0.5918 0.1693 0.146 Uiso 1 1 calc R U .
H42B H 0.4587 0.5399 0.1114 0.146 Uiso 1 1 calc R U .
H42C H 0.4822 0.6038 0.0876 0.146 Uiso 1 1 calc R U .
C43 C 1.3540(5) 0.3873(4) 0.3307(6) 0.082(3) Uani 1 1 d . . .
H43A H 1.3750 0.3558 0.3048 0.099 Uiso 1 1 calc R U .
H43B H 1.3624 0.3740 0.3809 0.099 Uiso 1 1 calc R U .
C44 C 1.3905(6) 0.4872(5) 0.3869(7) 0.087(4) Uani 1 1 d . . .
H44A H 1.3980 0.4662 0.4330 0.104 Uiso 1 1 calc R U .
H44B H 1.4329 0.5186 0.3941 0.104 Uiso 1 1 calc R U .
C45 C 1.4045(6) 0.4432(5) 0.3305(8) 0.095(4) Uani 1 1 d . . .
C46 C 1.3892(8) 0.4727(6) 0.2587(8) 0.130(6) Uani 1 1 d . . .
H46A H 1.4221 0.5089 0.2633 0.195 Uiso 1 1 calc R U .
H46B H 1.3305 0.4825 0.2410 0.195 Uiso 1 1 calc R U .
H46C H 1.4050 0.4458 0.2249 0.195 Uiso 1 1 calc R U .
C47 C 1.4978(6) 0.4249(6) 0.3582(10) 0.139(6) Uani 1 1 d . . .
H47A H 1.5327 0.4600 0.3619 0.208 Uiso 1 1 calc R U .
H47B H 1.5114 0.3968 0.3245 0.208 Uiso 1 1 calc R U .
H47C H 1.5074 0.4063 0.4054 0.208 Uiso 1 1 calc R U .
C48 C 1.1825(5) 0.7104(3) 0.3616(5) 0.063(2) Uani 1 1 d . . .
H48A H 1.1928 0.7517 0.3652 0.075 Uiso 1 1 calc R U .
C49 C 0.7172(12) 0.1523(8) -0.0611(9) 0.071(5) Uani 0.521(14) 1 d . . P
C49A C 0.8000(18) 0.1496(12) -0.0365(11) 0.100(10) Uani 0.479(14) 1 d . . P
C50 C 0.752(2) 0.0472(13) -0.0521(15) 0.109(9) Uani 0.521(14) 1 d . . P
C50A C 0.6922(13) 0.0618(11) -0.0673(12) 0.081(6) Uani 0.479(14) 1 d . U P
C51 C 0.8411(8) 0.0451(8) -0.0328(9) 0.062(5) Uani 0.521(14) 1 d . . P
C51A C 0.8606(10) 0.1204(9) -0.0277(8) 0.061(5) Uani 0.479(14) 1 d . . P
N1 N 0.7620(4) 0.5736(3) 0.3243(3) 0.0502(14) Uani 1 1 d . . .
N2 N 0.8877(4) 0.7098(2) 0.4745(3) 0.0440(12) Uani 1 1 d . . .
N3 N 0.7695(4) 0.5754(3) 0.5664(4) 0.0623(17) Uani 1 1 d . . .
N4 N 0.5170(6) 0.6091(5) 0.3863(7) 0.116(4) Uani 1 1 d . . .
N5 N 0.6467(4) 0.7482(3) 0.5405(4) 0.0670(18) Uani 1 1 d . . .
N6 N 0.6440(5) 0.7502(4) 0.2992(4) 0.078(2) Uani 1 1 d . . .
N7 N 1.2642(4) 0.3945(3) 0.2976(4) 0.0619(18) Uani 1 1 d . . .
N8 N 1.3080(4) 0.5151(3) 0.3673(4) 0.067(2) Uani 1 1 d . . .
N9 N 0.6811(4) 0.4824(3) 0.2221(3) 0.0517(14) Uani 1 1 d . . .
N10 N 0.7269(4) 0.6021(3) 0.1743(3) 0.0520(14) Uani 1 1 d . . .
N11 N 0.7810(5) 0.0963(8) -0.0465(4) 0.096(4) Uani 1 1 d . . .
O1 O 1.0996(3) 0.43917(19) 0.2688(3) 0.0453(11) Uani 1 1 d . . .
O2 O 1.1325(3) 0.53046(19) 0.3439(2) 0.0406(10) Uani 1 1 d . . .
O3 O 1.0116(3) 0.60315(19) 0.3348(2) 0.0393(9) Uani 1 1 d . . .
O4 O 0.9526(3) 0.4358(2) 0.1801(3) 0.0509(12) Uani 1 1 d . . .
O5 O 0.8918(2) 0.55573(17) 0.2182(2) 0.0346(9) Uani 1 1 d . . .
O6 O 0.8573(3) 0.46724(18) 0.2803(2) 0.0409(10) Uani 1 1 d . . .
O7 O 0.9764(3) 0.39420(19) 0.3297(2) 0.0451(11) Uani 1 1 d . . .
O8 O 1.0384(3) 0.55834(18) 0.1982(2) 0.0406(10) Uani 1 1 d . . .
O9 O 0.9154(4) 0.0688(3) -0.0171(3) 0.0766(18) Uani 1 1 d . . .
O1W O 0.9963(4) 0.4994(2) 0.4095(3) 0.0554(13) Uani 1 1 d . . .
O2W O 0.6067(10) 0.3244(7) -0.2585(9) 0.237(9) Uani 1 1 d . . .
O3W O 0.1600(13) 0.6857(11) 0.0366(10) 0.152(10) Uani 0.57(4) 1 d . . P
O3WA O 0.224(3) 0.6926(14) 0.0470(14) 0.152(15) Uani 0.43(4) 1 d . U P
O4W O 0.5249(8) 0.2241(12) -0.2198(8) 0.305(13) Uani 1 1 d . . .
O5W O 0.4710(17) 0.6911(15) -0.0925(13) 0.206(11) Uani 0.5 1 d . U P
O6W O 0.9214(17) 0.5355(12) -0.0180(10) 0.179(9) Uani 0.5 1 d . U P
O7W O 0.5445(9) 0.7511(6) 0.1422(8) 0.075(5) Uani 0.474(19) 1 d . . P
O7WA O 0.4911(9) 0.7536(7) 0.0790(9) 0.099(6) Uani 0.526(19) 1 d . . P
O8W O 0.4333(11) 0.8300(9) -0.0031(11) 0.138(8) Uani 0.5 1 d . . P
O9W O 0.7179(18) 0.6330(10) -0.0677(11) 0.165(8) Uani 0.5 1 d . U P
O10W O 0.7068(12) 0.3965(13) -0.1638(15) 0.184(9) Uani 0.5 1 d . U P
O11W O 0.732(2) 0.4748(19) -0.0514(19) 0.120(11) Uani 0.25 1 d . U P
O12W O 0.360(3) 0.6422(18) -0.0658(17) 0.133(12) Uani 0.25 1 d . U P
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'
Cr Cr 0.3209 0.6236 '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'
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
O1W Dy1 O5 113.59(17) . .
O1W Dy1 O1 112.23(18) . .
O5 Dy1 O1 134.18(15) . .
O1W Dy1 O2 79.07(18) . .
O5 Dy1 O2 125.27(14) . .
O1 Dy1 O2 64.23(16) . .
O1W Dy1 O6 80.19(18) . .
O5 Dy1 O6 63.78(14) . .
O1 Dy1 O6 125.41(15) . .
O2 Dy1 O6 159.25(15) . .
O1W Dy1 O8 141.54(16) . .
O5 Dy1 O8 65.19(14) . .
O1 Dy1 O8 79.12(14) . .
O2 Dy1 O8 73.37(15) . .
O6 Dy1 O8 124.45(15) . .
O1W Dy1 O4 141.58(17) . .
O5 Dy1 O4 78.84(15) . .
O1 Dy1 O4 65.31(17) . .
O2 Dy1 O4 124.89(16) . .
O6 Dy1 O4 73.28(16) . .
O8 Dy1 O4 76.87(15) . .
O1W Dy1 O3 71.00(16) . .
O5 Dy1 O3 70.91(14) . .
O1 Dy1 O3 125.82(15) . .
O2 Dy1 O3 63.69(14) . .
O6 Dy1 O3 108.66(14) . .
O8 Dy1 O3 72.91(14) . .
O4 Dy1 O3 143.92(15) . .
O1W Dy1 O7 70.87(16) . .
O5 Dy1 O7 124.84(15) . .
O1 Dy1 O7 71.29(15) . .
O2 Dy1 O7 109.77(15) . .
O6 Dy1 O7 63.24(15) . .
O8 Dy1 O7 144.05(14) . .
O4 Dy1 O7 72.52(15) . .
O3 Dy1 O7 141.85(15) . .
N1 Ni1 O6 103.0(2) . .
N1 Ni1 N9 93.6(2) . .
O6 Ni1 N9 91.6(2) . .
N1 Ni1 N10 91.5(3) . .
O6 Ni1 N10 162.8(2) . .
N9 Ni1 N10 96.6(3) . .
N1 Ni1 O5 114.9(2) . .
O6 Ni1 O5 75.67(16) . .
N9 Ni1 O5 150.6(2) . .
N10 Ni1 O5 90.0(2) . .
N3 Ni2 N8 92.8(3) 3_766 .
N3 Ni2 O2 103.6(2) 3_766 .
N8 Ni2 O2 91.8(2) . .
N3 Ni2 O1 114.1(2) 3_766 .
N8 Ni2 O1 152.4(2) . .
O2 Ni2 O1 76.70(18) . .
N3 Ni2 N7 91.6(3) 3_766 .
N8 Ni2 N7 96.8(3) . .
O2 Ni2 N7 162.1(2) . .
O1 Ni2 N7 88.7(2) . .
C3 Cr1 C1 90.5(3) . .
C3 Cr1 C2 86.5(2) . .
C1 Cr1 C2 88.2(2) . .
C3 Cr1 C4 93.7(3) . .
C1 Cr1 C4 91.7(3) . .
C2 Cr1 C4 179.8(3) . .
C3 Cr1 C6 177.8(3) . .
C1 Cr1 C6 89.3(3) . .
C2 Cr1 C6 91.3(3) . .
C4 Cr1 C6 88.6(3) . .
C3 Cr1 C5 88.5(3) . .
C1 Cr1 C5 178.6(3) . .
C2 Cr1 C5 90.7(3) . .
C4 Cr1 C5 89.4(3) . .
C6 Cr1 C5 91.6(3) . .
N1 C1 Cr1 175.0(6) . .
N2 C2 Cr1 175.2(5) . .
N3 C3 Cr1 173.5(6) . .
N4 C4 Cr1 175.3(9) . .
N5 C5 Cr1 178.1(7) . .
N6 C6 Cr1 178.2(8) . .
O2 C7 C38 124.1(6) . .
O2 C7 C12 118.0(5) . .
C38 C7 C12 117.9(6) . .
O1 C8 C35 122.3(8) . .
O1 C8 C9 119.2(6) . .
C35 C8 C9 118.4(7) . .
O4 C9 C10 124.4(8) . .
O4 C9 C8 112.9(6) . .
C10 C9 C8 122.7(7) . .
C33 C10 C9 120.0(9) . .
O5 C11 C23 117.9(5) . .
O5 C11 C16 123.5(6) . .
C23 C11 C16 118.6(6) . .
C40 C12 O3 124.7(6) . .
C40 C12 C7 122.2(6) . .
O3 C12 C7 113.1(5) . .
C14 C13 C23 119.7(7) . .
C13 C14 C15 119.8(6) . .
C14 C15 C16 120.9(6) . .
C11 C16 C15 119.0(6) . .
C11 C16 C17 124.7(6) . .
C15 C16 C17 116.1(6) . .
N10 C17 C16 127.0(7) . .
O7 C18 C19 125.4(7) . .
O7 C18 C20 113.4(5) . .
C19 C18 C20 121.3(7) . .
C18 C19 C31 120.0(8) . .
O6 C20 C29 124.5(7) . .
O6 C20 C18 117.6(6) . .
C29 C20 C18 117.9(6) . .
C13 C23 O8 124.0(6) . .
C13 C23 C11 122.0(6) . .
O8 C23 C11 114.0(5) . .
N10 C24 C25 113.8(7) . .
C24 C25 C26 111.0(7) . .
C24 C25 C42 107.0(8) . .
C26 C25 C42 106.1(7) . .
C24 C25 C27 111.4(7) . .
C26 C25 C27 111.6(9) . .
C42 C25 C27 109.5(8) . .
N9 C26 C25 114.4(7) . .
N9 C28 C29 125.9(7) . .
C20 C29 C30 119.9(8) . .
C20 C29 C28 124.9(7) . .
C30 C29 C28 115.1(7) . .
C31 C30 C29 120.2(8) . .
C30 C31 C19 120.7(7) . .
C34 C33 C10 118.5(8) . .
C33 C34 C35 123.6(7) . .
C36 C35 C8 125.3(8) . .
C36 C35 C34 117.9(7) . .
C8 C35 C34 116.7(8) . .
N7 C36 C35 128.4(7) . .
N8 C37 C38 127.1(7) . .
C7 C38 C39 118.7(7) . .
C7 C38 C37 124.4(7) . .
C39 C38 C37 116.9(7) . .
C48 C39 C38 122.0(7) . .
C12 C40 C48 119.7(7) . .
N7 C43 C45 114.2(7) . .
N8 C44 C45 113.8(10) . .
C46 C45 C43 114.4(12) . .
C46 C45 C44 110.4(9) . .
C43 C45 C44 110.1(8) . .
C46 C45 C47 110.0(9) . .
C43 C45 C47 106.6(8) . .
C44 C45 C47 104.9(11) . .
C39 C48 C40 119.5(7) . .
C49A C49 N11 48.3(12) . .
C51A C49A N11 70.2(15) . .
C51A C49A C49 147(3) . .
N11 C49A C49 78(2) . .
C50A C50 N11 94(3) . .
C50A C50 C51 163(4) . .
N11 C50 C51 69(2) . .
C50 C50A N11 48(2) . .
O9 C51 C50 154.2(18) . .
O9 C51 N11 106.1(13) . .
C50 C51 N11 48.1(11) . .
O9 C51 C51A 55.6(9) . .
C50 C51 C51A 98.7(15) . .
N11 C51 C51A 50.5(9) . .
C49A C51A N11 57.0(17) . .
C49A C51A O9 161(2) . .
N11 C51A O9 104.3(14) . .
C49A C51A C51 113(2) . .
N11 C51A C51 56.6(10) . .
O9 C51A C51 47.7(8) . .
C1 N1 Ni1 166.7(6) . .
C3 N3 Ni2 166.0(6) . 3_766
C36 N7 C43 118.3(7) . .
C36 N7 Ni2 125.7(5) . .
C43 N7 Ni2 115.8(6) . .
C37 N8 C44 116.7(8) . .
C37 N8 Ni2 124.6(6) . .
C44 N8 Ni2 118.7(6) . .
C28 N9 C26 115.2(7) . .
C28 N9 Ni1 125.9(6) . .
C26 N9 Ni1 118.5(5) . .
C17 N10 C24 116.2(6) . .
C17 N10 Ni1 126.6(5) . .
C24 N10 Ni1 116.8(5) . .
C50 N11 C49A 169(2) . .
C50 N11 C51A 136(2) . .
C49A N11 C51A 52.8(13) . .
C50 N11 C51 63.1(19) . .
C49A N11 C51 125.5(14) . .
C51A N11 C51 72.9(10) . .
C50 N11 C49 117.7(18) . .
C49A N11 C49 53.8(15) . .
C51A N11 C49 106.3(15) . .
C51 N11 C49 179.2(14) . .
C50 N11 C50A 38.5(16) . .
C49A N11 C50A 132.7(18) . .
C51A N11 C50A 174.4(17) . .
C51 N11 C50A 101.5(15) . .
C49 N11 C50A 79.3(12) . .
C8 O1 Ni2 129.1(5) . .
C8 O1 Dy1 122.2(5) . .
Ni2 O1 Dy1 108.7(2) . .
C7 O2 Ni2 126.7(4) . .
C7 O2 Dy1 122.0(4) . .
Ni2 O2 Dy1 107.18(19) . .
C12 O3 C22 115.5(5) . .
C12 O3 Dy1 117.8(3) . .
C22 O3 Dy1 126.6(4) . .
C9 O4 C32 115.0(6) . .
C9 O4 Dy1 118.1(5) . .
C32 O4 Dy1 126.8(4) . .
C11 O5 Ni1 127.6(4) . .
C11 O5 Dy1 122.7(4) . .
Ni1 O5 Dy1 109.13(17) . .
C20 O6 Ni1 126.4(4) . .
C20 O6 Dy1 123.2(4) . .
Ni1 O6 Dy1 107.48(18) . .
C18 O7 C21 116.0(5) . .
C18 O7 Dy1 118.4(4) . .
C21 O7 Dy1 125.5(4) . .
C23 O8 C41 115.9(5) . .
C23 O8 Dy1 116.4(3) . .
C41 O8 Dy1 127.3(4) . .
C51 O9 C51A 76.7(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O1W 2.310(5) .
Dy1 O5 2.316(4) .
Dy1 O1 2.329(4) .
Dy1 O2 2.379(4) .
Dy1 O6 2.384(4) .
Dy1 O8 2.495(4) .
Dy1 O4 2.498(5) .
Dy1 O3 2.516(4) .
Dy1 O7 2.526(4) .
Ni1 N1 1.993(6) .
Ni1 O6 2.011(4) .
Ni1 N9 2.027(6) .
Ni1 N10 2.027(6) .
Ni1 O5 2.038(4) .
Ni2 N3 2.003(7) 3_766
Ni2 N8 2.006(8) .
Ni2 O2 2.012(4) .
Ni2 O1 2.023(5) .
Ni2 N7 2.067(7) .
Cr1 C3 2.046(6) .
Cr1 C1 2.048(6) .
Cr1 C2 2.059(6) .
Cr1 C4 2.063(8) .
Cr1 C6 2.069(7) .
Cr1 C5 2.075(7) .
C1 N1 1.151(8) .
C2 N2 1.157(8) .
C3 N3 1.148(9) .
C4 N4 1.151(11) .
C5 N5 1.153(9) .
C6 N6 1.152(9) .
C7 O2 1.336(8) .
C7 C38 1.394(9) .
C7 C12 1.417(9) .
C8 O1 1.354(9) .
C8 C35 1.400(9) .
C8 C9 1.408(12) .
C9 O4 1.381(8) .
C9 C10 1.387(10) .
C10 C33 1.378(11) .
C11 O5 1.347(7) .
C11 C23 1.398(9) .
C11 C16 1.399(8) .
C12 C40 1.374(9) .
C12 O3 1.378(7) .
C13 C14 1.379(10) .
C13 C23 1.387(8) .
C14 C15 1.389(10) .
C15 C16 1.419(9) .
C16 C17 1.449(10) .
C17 N10 1.274(9) .
C18 O7 1.377(8) .
C18 C19 1.382(10) .
C18 C20 1.412(10) .
C19 C31 1.389(12) .
C20 O6 1.335(8) .
C20 C29 1.398(10) .
C21 O7 1.436(9) .
C22 O3 1.439(7) .
C23 O8 1.390(7) .
C24 N10 1.494(9) .
C24 C25 1.520(13) .
C25 C26 1.528(12) .
C25 C42 1.539(11) .
C25 C27 1.544(13) .
C26 N9 1.483(10) .
C28 N9 1.273(10) .
C28 C29 1.470(11) .
C29 C30 1.430(11) .
C30 C31 1.355(13) .
C32 O4 1.466(10) .
C33 C34 1.366(14) .
C34 C35 1.448(12) .
C35 C36 1.401(12) .
C36 N7 1.273(11) .
C37 N8 1.296(11) .
C37 C38 1.462(10) .
C38 C39 1.434(11) .
C39 C48 1.353(11) .
C40 C48 1.396(11) .
C41 O8 1.456(7) .
C43 N7 1.484(11) .
C43 C45 1.527(13) .
C44 N8 1.478(11) .
C44 C45 1.541(17) .
C45 C46 1.501(17) .
C45 C47 1.573(13) .
C49 C49A 1.35(3) .
C49 N11 1.64(2) .
C49A C51A 1.19(2) .
C49A N11 1.25(3) .
C50 C50A 1.02(3) .
C50 N11 1.21(3) .
C50 C51 1.45(4) .
C50A N11 1.64(2) .
C51 O9 1.319(15) .
C51 N11 1.51(2) .
C51 C51A 1.73(3) .
C51A N11 1.40(2) .
C51A O9 1.470(18) .
N3 Ni2 2.003(7) 3_766
O3W O3WA 1.06(3) .
O7W O7WA 1.312(19) .
