#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:39:32 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180048 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/42/7034269.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_7034269
loop_
_publ_author_name
'Day, Benjamin M.'
'Chilton, Nicholas F.'
'Layfield, Richard A.'
_publ_section_title
;
 Molecular and electronic structures of donor-functionalized dysprosium
 pentadienyl complexes.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7109
_journal_page_last               7113
_journal_paper_doi               10.1039/c5dt00346f
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C36 H76 Cl6 Dy2 Li2 N6 Si2'
_chemical_formula_sum            'C36 H76 Cl6 Dy2 Li2 N6 Si2'
_chemical_formula_weight         1200.78
_chemical_properties_physical    'Air-sensitive, Moisture-sensitive'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_date             2014-10-23
_audit_creation_method
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_audit_update_record
;
2015-01-23 deposited with the CCDC.
2015-03-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.080(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.0325(3)
_cell_length_b                   16.3008(4)
_cell_length_c                   14.0042(4)
_cell_measurement_reflns_used    5727
_cell_measurement_temperature    150.04(13)
_cell_measurement_theta_max      28.2030
_cell_measurement_theta_min      3.1580
_cell_volume                     2746.29(12)
_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_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      150.04(13)
_diffrn_detector_area_resol_mean 10.3705
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details
;
  1 omega  -45.00   -4.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      -11.6555   77.0000    0.0000 41

  2 omega  -67.00   95.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       11.6555    0.0000  150.0000 162
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0324849000
_diffrn_orient_matrix_UB_12      -0.0336487000
_diffrn_orient_matrix_UB_13      -0.0165103000
_diffrn_orient_matrix_UB_21      -0.0219860000
_diffrn_orient_matrix_UB_22      -0.0047959000
_diffrn_orient_matrix_UB_23      0.0463007000
_diffrn_orient_matrix_UB_31      -0.0440198000
_diffrn_orient_matrix_UB_32      0.0271702000
_diffrn_orient_matrix_UB_33      -0.0122352000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0462
_diffrn_reflns_av_unetI/netI     0.0848
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14094
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         2.892
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.064
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85026
_exptl_absorpt_correction_type   multi-scan
_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)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_description       plate
_exptl_crystal_F_000             1204
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Hexane'
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.936
_refine_diff_density_min         -0.651
_refine_diff_density_rms         0.153
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     290
_refine_ls_number_reflns         5584
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.0758
_refine_ls_R_factor_gt           0.0448
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w=1/[σ²(Fo²)] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0513
_refine_ls_wR_factor_ref         0.0602
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4189
_reflns_number_total             5584
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt00346f2.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 7034268--7034269.cif.'
_cod_database_code               7034269
#BEGIN Tags that were not found in dictionaries:
_shelxl_version_number           2014/6
_chemical_oxdiff_formula         C20H20Cl2Dy1N1O1Si1
_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.
;
_reflns_odcompleteness_completeness 99.37
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N3-C18A \\sim N3-C18 \\sim N3-C17 \\sim N3-C17A
 with sigma of 0.02
 C16-N3 \\sim N3-C16A
 with sigma of 0.02
3. Rigid bond restraints
 C17A, C17
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C18, C18A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C16A, C16
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C17 \\sim C17A: within 1.7A with sigma of 0.01 and sigma for terminal atoms of
0.02
C18A \\sim C18: within 1.7A with sigma of 0.01 and sigma for terminal atoms of
0.02
C16A \\sim C16: within 1.7A with sigma of 0.01 and sigma for terminal atoms of
0.02
5. Others
 Sof(H15C)=Sof(H15D)=Sof(C16A)=Sof(H16C)=Sof(H16D)=1-FVAR(1)
 Sof(H15A)=Sof(H15B)=Sof(C16)=Sof(H16A)=Sof(H16B)=FVAR(1)
 Sof(C17A)=Sof(H17D)=Sof(H17E)=Sof(H17F)=1-FVAR(2)
 Sof(C17)=Sof(H17A)=Sof(H17B)=Sof(H17C)=FVAR(2)
 Sof(C18A)=Sof(H18D)=Sof(H18E)=Sof(H18F)=1-FVAR(3)
 Sof(C18)=Sof(H18A)=Sof(H18B)=Sof(H18C)=FVAR(3)
6.a Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B), C12(H12A,H12B),
 C15(H15A,H15B), C15(H15C,H15D), C16(H16A,H16B), C16A(H16C,H16D)
6.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4)
6.c X=CH2 refined with riding coordinates:
 C5(H5A,H5B)
6.d Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C),
 C17(H17A,H17B,H17C), C17A(H17D,H17E,H17F), C18(H18A,H18B,H18C), C18A(H18D,H18E,
 H18F)
;
_olex2_submission_special_instructions 'No special instructions were received'
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.91368(2) 0.03637(2) 0.62352(2) 0.02242(7) Uani 1 1 d . . . . .
Cl1 Cl 1.10522(10) 0.06089(9) 0.71252(10) 0.0413(4) Uani 1 1 d . . . . .
Cl2 Cl 0.99859(11) 0.09684(8) 0.46175(10) 0.0391(4) Uani 1 1 d . . . . .
Cl3 Cl 0.72107(9) 0.01357(8) 0.53217(9) 0.0310(3) Uani 1 1 d . . . . .
Si1 Si 0.82935(13) 0.07504(10) 0.86647(11) 0.0409(4) Uani 1 1 d . . . . .
N1 N 0.8782(3) -0.0700(2) 0.7609(3) 0.0269(10) Uani 1 1 d . . . . .
N2 N 1.3874(4) 0.1040(3) 0.6666(3) 0.0421(12) Uani 1 1 d . . . . .
N3 N 1.3478(4) -0.0692(3) 0.7101(3) 0.0435(13) Uani 1 1 d . . . . .
C1 C 0.8082(5) 0.1147(4) 0.7465(4) 0.0353(14) Uani 1 1 d . . . . .
H1 H 0.741(4) 0.107(3) 0.718(3) 0.049(18) Uiso 1 1 d . . . . .
C2 C 0.8640(5) 0.1783(3) 0.7028(4) 0.0376(15) Uani 1 1 d . . . . .
H2 H 0.929(4) 0.196(3) 0.738(3) 0.049(17) Uiso 1 1 d . . . . .
C3 C 0.8503(4) 0.2102(3) 0.6120(4) 0.0344(13) Uani 1 1 d . . . . .
H3 H 0.7930 0.1891 0.5739 0.041 Uiso 1 1 calc R . . . .
C4 C 0.9181(5) 0.2736(4) 0.5720(5) 0.0586(19) Uani 1 1 d . . . . .
H4 H 0.9829 0.2876 0.6054 0.070 Uiso 1 1 calc R . . . .
C5 C 0.8958(7) 0.3142(4) 0.4905(5) 0.089(3) Uani 1 1 d . . . . .
H5A H 0.8319 0.3020 0.4549 0.106 Uiso 1 1 calc R . . . .
H5B H 0.9443 0.3545 0.4696 0.106 Uiso 1 1 calc R . . . .
C6 C 0.6966(5) 0.0612(4) 0.9312(4) 0.075(2) Uani 1 1 d . . . . .
H6A H 0.6461 0.0290 0.8928 0.113 Uiso 1 1 calc GR . . . .
H6B H 0.6641 0.1138 0.9435 0.113 Uiso 1 1 calc GR . . . .
H6C H 0.7113 0.0335 0.9907 0.113 Uiso 1 1 calc GR . . . .
C7 C 0.9230(6) 0.1406(4) 0.9398(4) 0.083(3) Uani 1 1 d . . . . .
H7A H 0.9344 0.1161 1.0015 0.124 Uiso 1 1 calc GR . . . .
H7B H 0.8901 0.1939 0.9471 0.124 Uiso 1 1 calc GR . . . .
H7C H 0.9931 0.1460 0.9088 0.124 Uiso 1 1 calc GR . . . .
C8 C 0.9004(4) -0.0281(3) 0.8536(3) 0.0358(14) Uani 1 1 d . . . . .
H8A H 0.9799 -0.0204 0.8614 0.043 Uiso 1 1 calc R . . . .
H8B H 0.8764 -0.0637 0.9047 0.043 Uiso 1 1 calc R . . . .
C9 C 0.9415(4) -0.1488(3) 0.7589(4) 0.0367(14) Uani 1 1 d . . . . .
H9A H 0.9540 -0.1690 0.8234 0.044 Uiso 1 1 calc R . . . .
H9B H 1.0131 -0.1405 0.7297 0.044 Uiso 1 1 calc R . . . .
C10 C 0.7606(4) -0.0986(3) 0.7529(4) 0.0367(14) Uani 1 1 d . . . . .
H10A H 0.7115 -0.0543 0.7331 0.044 Uiso 1 1 calc R . . . .
H10B H 0.7355 -0.1205 0.8132 0.044 Uiso 1 1 calc R . . . .
C11 C 0.8732(4) -0.2095(3) 0.7015(4) 0.0438(15) Uani 1 1 d . . . . .
H11A H 0.8593 -0.2586 0.7385 0.053 Uiso 1 1 calc R . . . .
H11B H 0.9111 -0.2248 0.6436 0.053 Uiso 1 1 calc R . . . .
C12 C 0.7645(4) -0.1647(3) 0.6777(4) 0.0407(15) Uani 1 1 d . . . . .
H12A H 0.7657 -0.1412 0.6141 0.049 Uiso 1 1 calc R . . . .
H12B H 0.7013 -0.2013 0.6822 0.049 Uiso 1 1 calc R . . . .
C13 C 1.4522(5) 0.1314(4) 0.5855(4) 0.068(2) Uani 1 1 d . . . . .
H13A H 1.4851 0.0848 0.5551 0.102 Uiso 1 1 calc GR . . . .
H13B H 1.5096 0.1681 0.6075 0.102 Uiso 1 1 calc GR . . . .
H13C H 1.4044 0.1594 0.5406 0.102 Uiso 1 1 calc GR . . . .
C14 C 1.3427(5) 0.1761(4) 0.7133(6) 0.097(3) Uani 1 1 d . . . . .
H14A H 1.2978 0.2066 0.6685 0.145 Uiso 1 1 calc GR . . . .
H14B H 1.4028 0.2099 0.7364 0.145 Uiso 1 1 calc GR . . . .
H14C H 1.2981 0.1593 0.7660 0.145 Uiso 1 1 calc GR . . . .
C15 C 1.4570(6) 0.0567(5) 0.7326(5) 0.089(3) Uani 1 1 d . . . . .
H15A H 1.4324 0.0668 0.7971 0.107 Uiso 0.528(14) 1 calc R . P A 1
H15B H 1.5329 0.0765 0.7286 0.107 Uiso 0.528(14) 1 calc R . P A 1
H15C H 1.5218 0.0387 0.6981 0.107 Uiso 0.472(14) 1 calc R . P A 2
H15D H 1.4832 0.0937 0.7824 0.107 Uiso 0.472(14) 1 calc R . P A 2
C16 C 1.4565(9) -0.0329(10) 0.7152(13) 0.067(4) Uani 0.528(14) 1 d . U P A 1
H16A H 1.4939 -0.0438 0.6557 0.080 Uiso 0.528(14) 1 calc R . P A 1
H16B H 1.4990 -0.0595 0.7660 0.080 Uiso 0.528(14) 1 calc R . P A 1
C16A C 1.4124(14) -0.0109(10) 0.7761(13) 0.073(4) Uani 0.472(14) 1 d . U P A 2
H16C H 1.3630 0.0078 0.8256 0.088 Uiso 0.472(14) 1 calc R . P A 2
H16D H 1.4722 -0.0413 0.8071 0.088 Uiso 0.472(14) 1 calc R . P A 2
C17 C 1.3550(19) -0.1491(8) 0.6565(9) 0.071(5) Uani 0.58(2) 1 d . U P A 1
H17A H 1.2825 -0.1734 0.6514 0.107 Uiso 0.58(2) 1 calc GR . P A 1
H17B H 1.4044 -0.1857 0.6903 0.107 Uiso 0.58(2) 1 calc GR . P A 1
H17C H 1.3828 -0.1391 0.5938 0.107 Uiso 0.58(2) 1 calc GR . P A 1
C17A C 1.431(2) -0.1185(16) 0.6618(14) 0.068(7) Uani 0.42(2) 1 d . U P A 2
H17D H 1.3939 -0.1607 0.6251 0.102 Uiso 0.42(2) 1 calc GR . P A 2
H17E H 1.4796 -0.1432 0.7083 0.102 Uiso 0.42(2) 1 calc GR . P A 2
H17F H 1.4726 -0.0842 0.6201 0.102 Uiso 0.42(2) 1 calc GR . P A 2
C18 C 1.291(2) -0.0860(19) 0.7982(14) 0.047(5) Uani 0.56(5) 1 d . U P A 1
H18A H 1.2795 -0.0356 0.8321 0.071 Uiso 0.56(5) 1 calc GR . P A 1
H18B H 1.3352 -0.1225 0.8370 0.071 Uiso 0.56(5) 1 calc GR . P A 1
H18C H 1.2204 -0.1111 0.7839 0.071 Uiso 0.56(5) 1 calc GR . P A 1
C18A C 1.283(2) -0.120(2) 0.775(2) 0.057(7) Uani 0.44(5) 1 d . U P A 2
H18D H 1.2251 -0.0869 0.8022 0.086 Uiso 0.44(5) 1 calc GR . P A 2
H18E H 1.3304 -0.1406 0.8250 0.086 Uiso 0.44(5) 1 calc GR . P A 2
H18F H 1.2499 -0.1646 0.7401 0.086 Uiso 0.44(5) 1 calc GR . P A 2
Li1 Li 1.2627(6) 0.0198(5) 0.6295(6) 0.032(2) 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'
Cl Cl 0.1484 0.1585 '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'
Li Li -0.0003 0.0001 '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'
Si Si 0.0817 0.0704 '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
Cl1 Dy1 Cl2 89.16(4) . 3_756
Cl1 Dy1 Cl2 90.01(4) . .
Cl1 Dy1 Cl3 179.16(5) . .
Cl1 Dy1 N1 84.63(9) . .
Cl1 Dy1 C2 82.56(13) . .
Cl2 Dy1 Cl2 76.38(4) . 3_756
Cl3 Dy1 Cl2 89.28(4) . .
Cl3 Dy1 Cl2 91.11(4) . 3_756
N1 Dy1 Cl2 82.17(9) . 3_756
N1 Dy1 Cl2 157.97(9) . .
N1 Dy1 Cl3 96.20(8) . .
N1 Dy1 C2 103.22(17) . .
C1 Dy1 Cl1 92.72(14) . .
C1 Dy1 Cl2 126.67(14) . .
C1 Dy1 Cl2 156.84(14) . 3_756
C1 Dy1 Cl3 87.35(14) . .
C1 Dy1 N1 75.04(16) . .
C1 Dy1 C2 31.07(17) . .
C2 Dy1 Cl2 97.23(14) . .
C2 Dy1 Cl2 169.59(14) . 3_756
C2 Dy1 Cl3 97.08(13) . .
Li1 Cl1 Dy1 115.6(2) . .
Dy1 Cl2 Dy1 103.62(4) . 3_756
Li1 Cl3 Dy1 114.3(2) 3_756 .
C1 Si1 C6 112.8(3) . .
C1 Si1 C7 112.4(3) . .
C1 Si1 C8 106.5(2) . .
C6 Si1 C8 109.3(3) . .
C7 Si1 C6 108.6(3) . .
C7 Si1 C8 107.1(3) . .
C8 N1 Dy1 107.9(3) . .
C8 N1 C9 109.1(4) . .
C8 N1 C10 111.4(4) . .
C9 N1 Dy1 117.6(3) . .
C10 N1 Dy1 108.5(3) . .
C10 N1 C9 102.3(4) . .
C13 N2 Li1 113.5(4) . .
C14 N2 C13 108.1(5) . .
C14 N2 C15 110.8(5) . .
C14 N2 Li1 111.9(4) . .
C15 N2 C13 110.2(5) . .
C15 N2 Li1 102.2(5) . .
C16 N3 C17 108.6(12) . .
C16 N3 C18 118.7(16) . .
C16 N3 Li1 100.2(7) . .
C16A N3 Li1 97.7(7) . .
C17 N3 Li1 111.2(7) . .
C17A N3 C16A 106.3(14) . .
C17A N3 C18A 111(2) . .
C17A N3 Li1 117.6(9) . .
C18 N3 C17 107.0(15) . .
C18 N3 Li1 110.9(10) . .
C18A N3 C16A 104.3(19) . .
C18A N3 Li1 117.5(14) . .
Si1 C1 Dy1 113.0(2) . .
C2 C1 Dy1 79.7(3) . .
C2 C1 Si1 128.0(5) . .
C1 C2 Dy1 69.2(3) . .
C3 C2 Dy1 88.1(3) . .
C3 C2 C1 129.7(6) . .
C2 C3 C4 124.8(6) . .
C5 C4 C3 125.5(7) . .
N1 C8 Si1 114.6(3) . .
N1 C9 C11 107.5(4) . .
N1 C10 C12 103.5(4) . .
C9 C11 C12 104.9(4) . .
C10 C12 C11 103.1(4) . .
N2 C15 C16 114.6(7) . .
C16A C15 N2 118.7(9) . .
N3 C16 C15 114.5(10) . .
C15 C16A N3 115.4(12) . .
Cl3 Li1 Cl1 129.1(3) 3_756 .
N2 Li1 Cl1 105.8(4) . .
N2 Li1 Cl3 108.7(4) . 3_756
N2 Li1 N3 88.8(4) . .
N3 Li1 Cl1 108.8(4) . .
N3 Li1 Cl3 108.2(4) . 3_756
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 Cl1 2.6298(12) .
Dy1 Cl2 2.7023(13) 3_756
Dy1 Cl2 2.6898(13) .
Dy1 Cl3 2.6523(12) .
Dy1 N1 2.631(4) .
Dy1 C1 2.508(5) .
Dy1 C2 2.640(5) .
Cl1 Li1 2.340(8) .
Cl2 Dy1 2.7023(13) 3_756
Cl3 Li1 2.340(8) 3_756
Si1 C1 1.813(6) .
Si1 C6 1.865(6) .
Si1 C7 1.850(6) .
Si1 C8 1.896(5) .
N1 C8 1.486(6) .
N1 C9 1.494(6) .
N1 C10 1.492(6) .
N2 C13 1.460(6) .
N2 C14 1.453(7) .
N2 C15 1.457(7) .
N2 Li1 2.091(9) .
N3 C16 1.436(11) .
N3 C16A 1.528(13) .
N3 C17 1.507(11) .
N3 C17A 1.456(12) .
N3 C18 1.449(11) .
N3 C18A 1.464(13) .
N3 Li1 2.093(9) .
C1 C2 1.384(7) .
C2 C3 1.381(7) .
C3 C4 1.437(7) .
C4 C5 1.342(8) .
C9 C11 1.509(7) .
C10 C12 1.507(7) .
C11 C12 1.529(7) .
C15 C16 1.482(17) .
C15 C16A 1.374(16) .
Li1 Cl3 2.340(8) 3_756
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
Dy1 N1 C8 Si1 49.4(4)
Dy1 N1 C9 C11 -89.8(4)
Dy1 N1 C10 C12 82.4(4)
Dy1 C1 C2 C3 68.8(6)
Dy1 C2 C3 C4 -115.3(5)
Si1 C1 C2 Dy1 111.3(4)
Si1 C1 C2 C3 -179.9(4)
N1 C9 C11 C12 -4.5(6)
N1 C10 C12 C11 39.9(5)
N2 C15 C16 N3 -52.8(15)
N2 C15 C16A N3 46.9(18)
C1 Si1 C8 N1 -26.1(4)
C1 C2 C3 C4 -176.0(5)
C2 C3 C4 C5 -168.9(6)
C6 Si1 C1 Dy1 -132.2(3)
C6 Si1 C1 C2 132.9(5)
C6 Si1 C8 N1 96.0(4)
C7 Si1 C1 Dy1 104.6(3)
C7 Si1 C1 C2 9.7(6)
C7 Si1 C8 N1 -146.5(4)
C8 Si1 C1 Dy1 -12.4(3)
C8 Si1 C1 C2 -107.3(5)
C8 N1 C9 C11 147.0(4)
C8 N1 C10 C12 -159.0(4)
C9 N1 C8 Si1 178.2(3)
C9 N1 C10 C12 -42.5(5)
C9 C11 C12 C10 -21.5(5)
C10 N1 C8 Si1 -69.6(5)
C10 N1 C9 C11 28.9(5)
C13 N2 C15 C16 -92.1(9)
C13 N2 C15 C16A -141.5(11)
C14 N2 C15 C16 148.3(9)
C14 N2 C15 C16A 98.9(12)
C17 N3 C16 C15 158.5(11)
C17A N3 C16A C15 79.3(17)
C18 N3 C16 C15 -79.0(17)
C18A N3 C16A C15 -163.5(19)
Li1 N2 C15 C16 28.9(9)
Li1 N2 C15 C16A -20.5(12)
Li1 N3 C16 C15 41.8(13)
Li1 N3 C16A C15 -42.4(15)
