#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:52:34 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180484 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/53/7215347.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_7215347
loop_
_publ_author_name
'Chen, Peng'
'Chen, Han'
'Yan, Pengfei'
'Wang, Yan'
'Li, Guangming'
_publ_section_title
;
 Effect of lanthanide contraction and rigid ligand on the structure of
 salen-type lanthanide complexes
;
_journal_issue                   20
_journal_name_full               CrystEngComm
_journal_page_first              6237
_journal_paper_doi               10.1039/c1ce05501a
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C52 H58 Cl4 Lu4 N4 O22 Zn'
_chemical_formula_weight         1998.09
_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                116.241(7)
_cell_angle_beta                 91.775(8)
_cell_angle_gamma                104.446(8)
_cell_formula_units_Z            1
_cell_length_a                   11.979(6)
_cell_length_b                   13.200(7)
_cell_length_c                   13.260(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1796.9(16)
_computing_cell_refinement       SAINT-plus
_computing_data_collection       SMART
_computing_data_reduction        SAINT-plus
_computing_molecular_graphics    SHELXL97
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SHELXS97
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Bruker SMART1000 CCD'
_diffrn_measurement_method       ω
_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  0.0385
_diffrn_reflns_av_sigmaI/netI    0.0511
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            17316
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.03
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.988
_exptl_absorpt_correction_T_max  0.583
_exptl_absorpt_correction_T_min  0.492
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.846
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             956
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.414
_refine_diff_density_min         -1.610
_refine_diff_density_rms         0.172
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     410
_refine_ls_number_reflns         7932
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.0662
_refine_ls_R_factor_gt           0.0454
_refine_ls_shift/su_max          0.059
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0478P)²+10.2273P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1106
_refine_ls_wR_factor_ref         0.1210
_reflns_number_gt                5931
_reflns_number_total             7932
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05501a.txt
_cod_data_source_block           cd
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7215347
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
Lu1 Lu 0.09003(3) 0.40325(3) 0.50032(3) 0.03693(11) Uani 1 1 d .
Zn1 Zn 0.4881(3) 0.0504(4) 0.5949(4) 0.1042(12) Uani 0.50 1 d PD
C1 C -0.0544(15) 0.6483(12) 0.1009(11) 0.095(5) Uani 1 1 d .
H1A H -0.0390 0.6860 0.0557 0.114 Uiso 1 1 calc R
C2 C -0.1195(14) 0.5284(12) 0.0530(11) 0.090(4) Uani 1 1 d .
H2A H -0.1533 0.4887 -0.0235 0.108 Uiso 1 1 calc R
C3 C -0.0141(12) 0.7083(11) 0.2161(11) 0.079(4) Uani 1 1 d .
H3A H 0.0243 0.7889 0.2503 0.095 Uiso 1 1 calc R
C4 C -0.4510(10) 0.0094(12) -0.1322(10) 0.075(4) Uani 1 1 d .
H4A H -0.5105 -0.0075 -0.1892 0.090 Uiso 1 1 calc R
C5 C 0.0771(11) 0.8256(9) 0.4501(10) 0.074(3) Uani 1 1 d .
H5A H 0.1445 0.8323 0.4134 0.110 Uiso 1 1 calc R
H5B H 0.1018 0.8531 0.5297 0.110 Uiso 1 1 calc R
H5C H 0.0318 0.8727 0.4413 0.110 Uiso 1 1 calc R
C6 C -0.4288(11) -0.0817(12) -0.1183(10) 0.084(4) Uani 1 1 d .
H6A H -0.4737 -0.1594 -0.1645 0.101 Uiso 1 1 calc R
C7 C -0.0906(7) 0.5283(7) 0.2351(7) 0.0408(19) Uani 1 1 d .
C8 C -0.0304(9) 0.6493(9) 0.2823(9) 0.055(2) Uani 1 1 d .
C9 C 0.0291(8) 0.1373(8) 0.2935(8) 0.044(2) Uani 1 1 d .
C10 C -0.1127(9) 0.0252(8) 0.1060(8) 0.052(2) Uani 1 1 d .
H10A H -0.1330 -0.0443 0.0374 0.063 Uiso 1 1 calc R
C11 C -0.0131(8) 0.0422(7) 0.1835(8) 0.046(2) Uani 1 1 d .
C12 C 0.1299(9) 0.1422(8) 0.3539(9) 0.050(2) Uani 1 1 d .
C13 C -0.1346(9) 0.4679(9) 0.1175(8) 0.052(2) Uani 1 1 d .
C14 C -0.2966(8) 0.1499(9) 0.0197(8) 0.050(2) Uani 1 1 d .
C15 C -0.3388(10) -0.0560(9) -0.0345(9) 0.065(3) Uani 1 1 d .
H15A H -0.3235 -0.1169 -0.0245 0.078 Uiso 1 1 calc R
C16 C 0.4790(11) 0.5833(14) 0.6575(15) 0.128(8) Uani 1 1 d .
H16A H 0.5265 0.6496 0.6508 0.192 Uiso 1 1 calc R
H16B H 0.4918 0.5120 0.6016 0.192 Uiso 1 1 calc R
H16C H 0.4995 0.5928 0.7324 0.192 Uiso 1 1 calc R
C17 C 0.0462(10) -0.0460(8) 0.1406(9) 0.053(2) Uani 1 1 d .
H17A H 0.0174 -0.1104 0.0688 0.063 Uiso 1 1 calc R
C18 C -0.2007(9) 0.3435(8) 0.0554(7) 0.051(2) Uani 1 1 d .
H18A H -0.2290 0.3151 -0.0212 0.061 Uiso 1 1 calc R
C19 C -0.2714(8) 0.0592(8) 0.0344(8) 0.050(2) Uani 1 1 d .
C20 C -0.3867(8) 0.1245(10) -0.0634(9) 0.060(3) Uani 1 1 d .
H20A H -0.4036 0.1852 -0.0726 0.071 Uiso 1 1 calc R
C21 C 0.1434(11) -0.0382(9) 0.2017(10) 0.062(3) Uani 1 1 d .
H21A H 0.1813 -0.0961 0.1713 0.075 Uiso 1 1 calc R
C22 C 0.1867(9) 0.0569(9) 0.3105(9) 0.057(3) Uani 1 1 d .
H22A H 0.2532 0.0625 0.3531 0.068 Uiso 1 1 calc R
C23 C 0.2488(12) 0.2388(12) 0.5402(11) 0.086(4) Uani 1 1 d .
H23A H 0.2211 0.1674 0.5464 0.129 Uiso 1 1 calc R
H23B H 0.2579 0.3057 0.6134 0.129 Uiso 1 1 calc R
H23C H 0.3228 0.2423 0.5139 0.129 Uiso 1 1 calc R
C24 C 0.3522(8) 0.5765(10) 0.6384(9) 0.059(3) Uani 1 1 d .
C25 C 0.2149(10) 0.3561(14) 0.1658(10) 0.090(5) Uani 1 1 d .
H25A H 0.1822 0.3143 0.0863 0.134 Uiso 1 1 calc R
H25B H 0.2653 0.3168 0.1816 0.134 Uiso 1 1 calc R
H25C H 0.2591 0.4354 0.1850 0.134 Uiso 1 1 calc R
C26 C 0.1162(8) 0.3589(8) 0.2371(8) 0.048(2) Uani 1 1 d .
N1 N -0.2240(6) 0.2692(7) 0.0941(6) 0.0455(18) Uani 1 1 d .
N2 N -0.1753(7) 0.0945(6) 0.1211(6) 0.0449(17) Uani 1 1 d .
O1 O 0.0964(5) 0.5910(4) 0.5356(5) 0.0341(12) Uani 1 1 d .
H1B H 0.1490 0.6189 0.4921 0.041 Uiso 1 1 calc R
O2 O 0.0155(5) 0.3120(6) 0.1869(6) 0.0499(15) Uani 1 1 d .
O9 O 0.1472(6) 0.4108(6) 0.3442(5) 0.0539(17) Uani 1 1 d .
O4 O -0.1017(5) 0.4816(5) 0.3059(5) 0.0409(13) Uani 1 1 d .
O7 O 0.2831(5) 0.4808(6) 0.5613(6) 0.0558(18) Uani 1 1 d .
O10 O 0.3242(5) 0.6671(5) 0.6974(6) 0.0495(16) Uani 1 1 d .
O5 O 0.0069(6) 0.7036(5) 0.3987(6) 0.0535(16) Uani 1 1 d .
O3 O -0.0199(5) 0.2247(5) 0.3436(5) 0.0401(13) Uani 1 1 d .
O6 O 0.1656(6) 0.2405(5) 0.4600(6) 0.0564(18) Uani 1 1 d .
Cl1 Cl 0.5104(5) -0.1069(8) 0.5588(5) 0.309(7) Uani 1 1 d D
Cl2 Cl 0.6541(7) 0.2001(9) 0.7123(8) 0.131(4) Uani 0.50 1 d PD
Cl3 Cl 0.3253(6) 0.0742(6) 0.6726(8) 0.095(2) Uani 0.50 1 d PD
O1W O 0.2808(12) 0.6533(10) 0.4212(11) 0.131(4) Uani 1 1 d .
Lu2 Lu -0.14955(3) 0.28948(3) 0.27297(3) 0.03670(11) Uani 1 1 d .
O8 O -0.2730(6) 0.1625(6) 0.3266(6) 0.0575(17) Uani 1 1 d .
H8A H -0.3287 0.1881 0.3543 0.069 Uiso 1 1 d R
H8B H -0.2800 0.0901 0.3048 0.069 Uiso 1 1 d 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Lu Lu -0.4720 5.8584 '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'
Zn Zn 0.2839 1.4301 '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
O9 Lu1 O7 80.7(3) . .
O9 Lu1 O1 77.1(2) . .
O7 Lu1 O1 84.3(2) . .
O9 Lu1 O1 96.0(2) . 2_566
O7 Lu1 O1 155.1(2) . 2_566
O1 Lu1 O1 71.0(2) . 2_566
O9 Lu1 O4 142.5(2) . 2_566
O7 Lu1 O4 77.2(2) . 2_566
O1 Lu1 O4 71.0(2) . 2_566
O1 Lu1 O4 91.8(2) 2_566 2_566
O9 Lu1 O3 73.5(2) . .
O7 Lu1 O3 131.2(2) . .
O1 Lu1 O3 127.21(19) . .
O1 Lu1 O3 69.72(19) 2_566 .
O4 Lu1 O3 142.7(2) 2_566 .
O9 Lu1 O6 90.2(3) . .
O7 Lu1 O6 73.8(2) . .
O1 Lu1 O6 156.2(2) . .
O1 Lu1 O6 131.1(2) 2_566 .
O4 Lu1 O6 111.8(2) 2_566 .
O3 Lu1 O6 65.8(2) . .
O9 Lu1 O5 152.5(2) . 2_566
O7 Lu1 O5 112.4(3) . 2_566
O1 Lu1 O5 126.7(2) . 2_566
O1 Lu1 O5 81.7(2) 2_566 2_566
O4 Lu1 O5 65.0(2) 2_566 2_566
O3 Lu1 O5 80.1(2) . 2_566
O6 Lu1 O5 71.8(3) . 2_566
O9 Lu1 Lu2 67.35(18) . .
O7 Lu1 Lu2 148.01(19) . .
O1 Lu1 Lu2 89.21(13) . .
O1 Lu1 Lu2 38.13(13) 2_566 .
O4 Lu1 Lu2 129.81(15) 2_566 .
O3 Lu1 Lu2 39.03(13) . .
O6 Lu1 Lu2 104.46(16) . .
O5 Lu1 Lu2 96.56(16) 2_566 .
O9 Lu1 Lu2 107.48(17) . 2_566
O7 Lu1 Lu2 71.22(16) . 2_566
O1 Lu1 Lu2 35.97(14) . 2_566
O1 Lu1 Lu2 86.61(13) 2_566 2_566
O4 Lu1 Lu2 36.36(14) 2_566 2_566
O3 Lu1 Lu2 156.17(13) . 2_566
O6 Lu1 Lu2 137.15(16) . 2_566
O5 Lu1 Lu2 99.77(15) 2_566 2_566
Lu2 Lu1 Lu2 118.33(2) . 2_566
O9 Lu1 Lu1 85.80(18) . 2_566
O7 Lu1 Lu1 119.80(18) . 2_566
O1 Lu1 Lu1 35.54(13) . 2_566
O1 Lu1 Lu1 35.44(13) 2_566 2_566
O4 Lu1 Lu1 79.58(14) 2_566 2_566
O3 Lu1 Lu1 99.08(14) . 2_566
O6 Lu1 Lu1 164.82(16) . 2_566
O5 Lu1 Lu1 106.12(17) 2_566 2_566
Lu2 Lu1 Lu1 60.52(3) . 2_566
Lu2 Lu1 Lu1 57.81(3) 2_566 2_566
Cl1 Zn1 Cl3 112.4(3) . .
Cl1 Zn1 Cl2 109.5(3) . .
Cl3 Zn1 Cl2 111.6(4) . .
Cl1 Zn1 Zn1 68.5(3) . 2_656
Cl3 Zn1 Zn1 130.7(3) . 2_656
Cl2 Zn1 Zn1 113.9(3) . 2_656
Cl1 Zn1 Cl1 117.9(3) . 2_656
Cl3 Zn1 Cl1 108.0(3) . 2_656
Cl2 Zn1 Cl1 96.5(3) . 2_656
Zn1 Zn1 Cl1 49.3(2) 2_656 2_656
C3 C1 C2 118.3(12) . .
C3 C1 H1A 120.8 . .
C2 C1 H1A 120.8 . .
C13 C2 C1 121.5(11) . .
C13 C2 H2A 119.2 . .
C1 C2 H2A 119.2 . .
C1 C3 C8 120.6(11) . .
C1 C3 H3A 119.7 . .
C8 C3 H3A 119.7 . .
C20 C4 C6 121.0(11) . .
C20 C4 H4A 119.5 . .
C6 C4 H4A 119.5 . .
O5 C5 H5A 109.5 . .
O5 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
O5 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C4 C6 C15 119.2(11) . .
C4 C6 H6A 120.4 . .
C15 C6 H6A 120.4 . .
O4 C7 C8 116.7(8) . .
O4 C7 C13 125.9(8) . .
C8 C7 C13 117.4(8) . .
O5 C8 C3 124.0(9) . .
O5 C8 C7 114.2(8) . .
C3 C8 C7 121.8(10) . .
O3 C9 C12 117.9(8) . .
O3 C9 C11 124.3(8) . .
C12 C9 C11 117.9(8) . .
N2 C10 C11 127.6(8) . .
N2 C10 H10A 116.2 . .
C11 C10 H10A 116.2 . .
C9 C11 C17 118.7(9) . .
C9 C11 C10 125.8(8) . .
C17 C11 C10 115.5(9) . .
C22 C12 O6 124.2(9) . .
C22 C12 C9 122.5(9) . .
O6 C12 C9 113.3(7) . .
C2 C13 C7 120.2(9) . .
C2 C13 C18 115.2(9) . .
C7 C13 C18 124.6(9) . .
C20 C14 C19 120.3(9) . .
C20 C14 N1 122.7(10) . .
C19 C14 N1 117.0(8) . .
C19 C15 C6 120.8(12) . .
C19 C15 H15A 119.6 . .
C6 C15 H15A 119.6 . .
C24 C16 H16A 109.5 . .
C24 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C24 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C21 C17 C11 121.6(9) . .
C21 C17 H17A 119.2 . .
C11 C17 H17A 119.2 . .
N1 C18 C13 127.3(8) . .
N1 C18 H18A 116.4 . .
C13 C18 H18A 116.4 . .
C15 C19 C14 119.0(10) . .
C15 C19 N2 125.0(10) . .
C14 C19 N2 116.0(8) . .
C4 C20 C14 119.7(11) . .
C4 C20 H20A 120.1 . .
C14 C20 H20A 120.1 . .
C17 C21 C22 119.9(9) . .
C17 C21 H21A 120.0 . .
C22 C21 H21A 120.0 . .
C12 C22 C21 119.3(10) . .
C12 C22 H22A 120.3 . .
C21 C22 H22A 120.3 . .
O6 C23 H23A 109.5 . .
O6 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
O6 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
O10 C24 O7 125.0(8) . .
O10 C24 C16 117.0(10) . .
O7 C24 C16 118.0(9) . .
C26 C25 H25A 109.5 . .
C26 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C26 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
O2 C26 O9 125.6(9) . .
O2 C26 C25 118.1(9) . .
O9 C26 C25 116.2(9) . .
C18 N1 C14 119.0(8) . .
C18 N1 Lu2 129.2(6) . .
C14 N1 Lu2 111.6(6) . .
C10 N2 C19 118.5(8) . .
C10 N2 Lu2 129.3(6) . .
C19 N2 Lu2 112.1(6) . .
Lu2 O1 Lu1 107.8(2) 2_566 .
Lu2 O1 Lu1 103.4(2) 2_566 2_566
Lu1 O1 Lu1 109.0(2) . 2_566
Lu2 O1 H1B 112.0 2_566 .
Lu1 O1 H1B 112.0 . .
Lu1 O1 H1B 112.0 2_566 .
C26 O2 Lu2 125.1(6) . .
C26 O9 Lu1 140.5(6) . .
C7 O4 Lu2 131.4(5) . .
C7 O4 Lu1 121.6(5) . 2_566
Lu2 O4 Lu1 106.8(2) . 2_566
C24 O7 Lu1 137.2(6) . .
C24 O10 Lu2 134.8(6) . 2_566
C8 O5 C5 116.4(8) . .
C8 O5 Lu1 115.6(6) . 2_566
C5 O5 Lu1 126.4(6) . 2_566
C9 O3 Lu2 132.6(5) . .
C9 O3 Lu1 119.3(5) . .
Lu2 O3 Lu1 100.8(2) . .
C12 O6 C23 117.4(7) . .
C12 O6 Lu1 119.0(5) . .
C23 O6 Lu1 123.6(6) . .
Zn1 Cl1 Zn1 62.1(3) . 2_656
O1 Lu2 O4 71.6(2) 2_566 .
O1 Lu2 O3 71.01(19) 2_566 .
O4 Lu2 O3 120.2(2) . .
O1 Lu2 O10 84.1(2) 2_566 2_566
O4 Lu2 O10 77.5(2) . 2_566
O3 Lu2 O10 140.4(2) . 2_566
O1 Lu2 O8 84.0(2) 2_566 .
O4 Lu2 O8 140.2(2) . .
O3 Lu2 O8 78.0(2) . .
O10 Lu2 O8 68.9(2) 2_566 .
O1 Lu2 O2 108.2(2) 2_566 .
O4 Lu2 O2 75.8(2) . .
O3 Lu2 O2 73.8(2) . .
O10 Lu2 O2 145.0(2) 2_566 .
O8 Lu2 O2 143.1(2) . .
O1 Lu2 N1 146.8(2) 2_566 .
O4 Lu2 N1 77.9(2) . .
O3 Lu2 N1 138.5(2) . .
O10 Lu2 N1 76.6(2) 2_566 .
O8 Lu2 N1 112.9(3) . .
O2 Lu2 N1 75.9(2) . .
O1 Lu2 N2 145.0(2) 2_566 .
O4 Lu2 N2 140.4(2) . .
O3 Lu2 N2 77.7(2) . .
O10 Lu2 N2 112.2(2) 2_566 .
O8 Lu2 N2 74.5(3) . .
O2 Lu2 N2 76.6(2) . .
N1 Lu2 N2 68.1(3) . .
O1 Lu2 Lu1 38.47(13) 2_566 .
O4 Lu2 Lu1 83.17(14) . .
O3 Lu2 Lu1 40.17(14) . .
O10 Lu2 Lu1 122.53(16) 2_566 .
O8 Lu2 Lu1 97.07(18) . .
O2 Lu2 Lu1 76.16(16) . .
N1 Lu2 Lu1 149.34(19) . .
N2 Lu2 Lu1 116.84(19) . .
O1 Lu2 Lu1 36.18(13) 2_566 2_566
O4 Lu2 Lu1 36.83(14) . 2_566
O3 Lu2 Lu1 101.34(14) . 2_566
O10 Lu2 Lu1 71.15(15) 2_566 2_566
O8 Lu2 Lu1 109.39(18) . 2_566
O2 Lu2 Lu1 99.20(16) . 2_566
N1 Lu2 Lu1 111.02(19) . 2_566
N2 Lu2 Lu1 175.83(18) . 2_566
Lu1 Lu2 Lu1 61.67(2) . 2_566
Lu2 O8 H8A 111.7 . .
Lu2 O8 H8B 127.8 . .
H8A O8 H8B 117.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Lu1 O9 2.237(7) .
Lu1 O7 2.241(6) .
Lu1 O1 2.290(5) .
Lu1 O1 2.296(5) 2_566
Lu1 O4 2.313(6) 2_566
Lu1 O3 2.358(5) .
Lu1 O6 2.389(6) .
Lu1 O5 2.465(7) 2_566
Lu1 Lu2 3.5903(15) .
Lu1 Lu2 3.6930(17) 2_566
Lu1 Lu1 3.7341(15) 2_566
Zn1 Cl1 2.005(9) .
Zn1 Cl3 2.259(8) .
Zn1 Cl2 2.326(10) .
Zn1 Zn1 2.337(9) 2_656
Zn1 Cl1 2.459(8) 2_656
C1 C3 1.374(17) .
C1 C2 1.407(18) .
C1 H1A 0.9300 .
C2 C13 1.395(15) .
C2 H2A 0.9300 .
C3 C8 1.400(15) .
C3 H3A 0.9300 .
C4 C20 1.372(15) .
C4 C6 1.380(19) .
C4 H4A 0.9300 .
C5 O5 1.444(11) .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C6 C15 1.387(17) .
C6 H6A 0.9300 .
C7 O4 1.326(10) .
C7 C8 1.405(13) .
C7 C13 1.408(12) .
C8 O5 1.383(11) .
C9 O3 1.343(10) .
C9 C12 1.400(13) .
C9 C11 1.406(12) .
C10 N2 1.277(12) .
C10 C11 1.455(14) .
C10 H10A 0.9300 .
C11 C17 1.426(12) .
C12 C22 1.377(13) .
C12 O6 1.385(11) .
C13 C18 1.455(13) .
C14 C20 1.382(13) .
C14 C19 1.394(14) .
C14 N1 1.449(11) .
C15 C19 1.382(13) .
C15 H15A 0.9300 .
C16 C24 1.505(14) .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 C21 1.352(15) .
C17 H17A 0.9300 .
C18 N1 1.273(12) .
C18 H18A 0.9300 .
C19 N2 1.429(12) .
C20 H20A 0.9300 .
C21 C22 1.398(15) .
C21 H21A 0.9300 .
C22 H22A 0.9300 .
C23 O6 1.445(12) .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 O10 1.243(11) .
C24 O7 1.269(11) .
C25 C26 1.534(14) .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C26 O2 1.223(11) .
C26 O9 1.267(11) .
N1 Lu2 2.383(7) .
N2 Lu2 2.400(7) .
O1 Lu2 2.279(5) 2_566
O1 Lu1 2.296(5) 2_566
O1 H1B 0.9800 .
O2 Lu2 2.333(6) .
O4 Lu2 2.287(6) .
O4 Lu1 2.313(6) 2_566
O10 Lu2 2.304(6) 2_566
O5 Lu1 2.465(7) 2_566
O3 Lu2 2.302(6) .
Cl1 Zn1 2.459(8) 2_656
Lu2 O1 2.279(5) 2_566
Lu2 O10 2.304(6) 2_566
Lu2 O8 2.321(7) .
Lu2 Lu1 3.6930(17) 2_566
O8 H8A 0.8434 .
O8 H8B 0.8469 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1 H1B O1W 0.98 1.92 2.875(12) 163.2 .
O8 H8A O1W 0.84 2.71 3.170(14) 115.6 2_566
O8 H8A Cl1 0.84 2.70 3.339(9) 133.5 2_556
O8 H8B Cl3 0.85 2.26 3.034(9) 152.9 2_556
