#------------------------------------------------------------------------------
#$Date: 2019-11-24 12:25:53 +0200 (Sun, 24 Nov 2019) $
#$Revision: 237901 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/22/7702250.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_7702250
loop_
_publ_author_name
'Wang, Wen-Min'
'He, Li-Yuan'
'Wang, Xin-Xin'
'Shi, Ying'
'Wu, Zhi-Lei'
'Cui, Jian-Zhong'
_publ_section_title
;
 Linear-shaped Ln and Ln clusters constructed by a polydentate Schiff base
 ligand and a β-diketone co-ligand: structures, fluorescence properties,
 magnetic refrigeration and single-molecule magnet behavior.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16744
_journal_page_last               16755
_journal_paper_doi               10.1039/c9dt03478a
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C56 H62 Lu4 N6 O20, 2(C H2 Cl2)'
_chemical_formula_sum            'C58 H66 Cl4 Lu4 N6 O20'
_chemical_formula_weight         2008.84
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_audit_creation_date             2018-07-17
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-08-25 deposited with the CCDC.	2019-10-15 downloaded from the CCDC.
;
_cell_angle_alpha                96.775(2)
_cell_angle_beta                 94.875(2)
_cell_angle_gamma                101.833(2)
_cell_formula_units_Z            1
_cell_length_a                   8.5600(4)
_cell_length_b                   14.0982(7)
_cell_length_c                   14.3191(6)
_cell_measurement_reflns_used    9920
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.44
_cell_measurement_theta_min      2.21
_cell_volume                     1668.88(13)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_diffrn_ambient_temperature      150.0
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0453
_diffrn_reflns_av_unetI/netI     0.0358
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            31259
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.445
_diffrn_reflns_theta_min         2.213
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.099
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.4584
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1093 before and 0.0585 after correction.
The Ratio of minimum to maximum transmission is 0.6150.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.999
_exptl_crystal_description       block
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.968
_refine_diff_density_min         -1.190
_refine_diff_density_rms         0.157
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     422
_refine_ls_number_reflns         6865
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0291
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0157P)²+12.2094P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0656
_refine_ls_wR_factor_ref         0.0691
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5844
_reflns_number_total             6865
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt03478a2.cif
_cod_data_source_block           10
_cod_original_cell_volume        1668.87(13)
_cod_database_code               7702250
_shelx_shelxl_version_number     2016/6
_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_max   0.482
_shelx_estimated_absorpt_t_min   0.334
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 H10B_$1-H7_$2
 2.2 with sigma of 0.02
3.a Rotating group:
 O10(H10A,H10B)
3.b Secondary CH2 refined with riding coordinates:
 C29(H29A,H29B)
3.c Aromatic/amide H refined with riding coordinates:
 C16(H16), C4(H4), C7(H7), C11(H11), C21(H21), C9(H9), C26(H26), C3(H3),
 C1(H1), C10(H10), C2(H2)
3.d Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C18(H18A,H18B,H18C), C14(H14A,H14B,H14C), C19(H19A,H19B,
 H19C), C24(H24A,H24B,H24C), C28(H28A,H28B,H28C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
Lu2 Lu 0.08770(2) 0.40119(2) 0.94386(2) 0.01182(6) Uani 1 1 d .
Lu1 Lu -0.11604(3) 0.72153(2) 1.29425(2) 0.01669(7) Uani 1 1 d .
Cl2 Cl 0.5131(4) 0.2256(3) 1.22956(18) 0.0939(10) Uani 1 1 d .
O5 O -0.0069(4) 0.3394(3) 1.0744(3) 0.0191(8) Uani 1 1 d .
O6 O -0.1521(4) 0.5683(3) 1.3309(3) 0.0206(8) Uani 1 1 d .
Cl1 Cl 0.6223(7) 0.1017(3) 1.0889(3) 0.166(2) Uani 1 1 d .
O3 O 0.0490(4) 0.6519(3) 1.2022(2) 0.0142(7) Uani 1 1 d .
O1 O 0.2655(4) 0.3555(3) 0.8414(2) 0.0159(8) Uani 1 1 d .
O4 O 0.0617(5) 0.2335(3) 0.9199(3) 0.0229(8) Uani 1 1 d .
O10 O 0.1762(4) 0.5338(3) 0.8598(2) 0.0164(7) Uani 1 1 d .
H10A H 0.089460 0.557057 0.828917 0.025 Uiso 1 1 d GR
H10B H 0.230751 0.517282 0.805519 0.025 Uiso 1 1 d DGR
O2 O 0.1357(4) 0.5337(2) 1.0636(2) 0.0118(7) Uani 1 1 d .
O9 O -0.0288(5) 0.8804(3) 1.2928(3) 0.0281(9) Uani 1 1 d .
O8 O 0.0856(5) 0.7703(3) 1.4139(3) 0.0261(9) Uani 1 1 d .
O7 O -0.2416(5) 0.7300(3) 1.4252(3) 0.0249(9) Uani 1 1 d .
N3 N 0.3463(5) 0.4038(3) 1.0195(3) 0.0150(9) Uani 1 1 d .
N1 N 0.3638(6) 0.2158(3) 0.7406(3) 0.0237(10) Uani 1 1 d .
C23 C -0.3581(8) 0.7093(5) 1.5675(4) 0.0352(15) Uani 1 1 d .
H23A H -0.311635 0.778762 1.589189 0.053 Uiso 1 1 calc GR
H23B H -0.345672 0.671487 1.619766 0.053 Uiso 1 1 calc GR
H23C H -0.472447 0.700818 1.545846 0.053 Uiso 1 1 calc GR
C16 C 0.0939(8) 0.1956(4) 1.0757(4) 0.0273(13) Uani 1 1 d .
H16 H 0.131933 0.152960 1.114391 0.033 Uiso 1 1 calc R
N2 N 0.4382(5) 0.3451(3) 0.9710(3) 0.0179(9) Uani 1 1 d .
C6 C 0.3840(6) 0.3242(4) 0.8824(4) 0.0162(11) Uani 1 1 d .
C4 C 0.5939(6) 0.2253(4) 0.8526(4) 0.0188(11) Uani 1 1 d .
H4 H 0.654232 0.253773 0.911628 0.023 Uiso 1 1 calc R
C20 C -0.1852(7) 0.5319(4) 1.4064(4) 0.0220(12) Uani 1 1 d .
C12 C 0.1680(6) 0.6055(4) 1.2240(4) 0.0143(10) Uani 1 1 d .
C7 C 0.4139(6) 0.4407(4) 1.1036(4) 0.0164(11) Uani 1 1 d .
H7 H 0.515592 0.427691 1.122522 0.020 Uiso 1 1 calc DR
C11 C 0.2470(6) 0.6173(4) 1.3149(4) 0.0182(11) Uani 1 1 d .
H11 H 0.212649 0.656246 1.364536 0.022 Uiso 1 1 calc R
C15 C 0.0953(7) 0.1765(4) 0.9767(5) 0.0249(13) Uani 1 1 d .
C27 C 0.0500(8) 0.9515(4) 1.3524(5) 0.0292(14) Uani 1 1 d .
C13 C 0.2154(6) 0.5444(4) 1.1503(4) 0.0128(10) Uani 1 1 d .
C25 C 0.1558(7) 0.8523(5) 1.4596(5) 0.0310(15) Uani 1 1 d .
C21 C -0.2422(7) 0.5796(5) 1.4829(4) 0.0285(14) Uani 1 1 d .
H21 H -0.261820 0.546047 1.535969 0.034 Uiso 1 1 calc R
C9 C 0.4253(6) 0.5168(4) 1.2638(4) 0.0172(11) Uani 1 1 d .
H9 H 0.514587 0.488275 1.277154 0.021 Uiso 1 1 calc R
C5 C 0.4531(6) 0.2535(4) 0.8238(4) 0.0170(11) Uani 1 1 d .
C26 C 0.1382(8) 0.9421(5) 1.4353(5) 0.0344(16) Uani 1 1 d .
H26 H 0.188692 0.999687 1.477192 0.041 Uiso 1 1 calc R
C18 C 0.0285(9) 0.2855(5) 1.2235(4) 0.0366(16) Uani 1 1 d .
H18A H 0.088915 0.350670 1.252386 0.055 Uiso 1 1 calc GR
H18B H 0.074003 0.235520 1.251374 0.055 Uiso 1 1 calc GR
H18C H -0.084229 0.278078 1.235180 0.055 Uiso 1 1 calc GR
C17 C 0.0392(7) 0.2738(4) 1.1183(4) 0.0217(12) Uani 1 1 d .
C8 C 0.3460(6) 0.5003(4) 1.1710(4) 0.0148(10) Uani 1 1 d .
C3 C 0.6447(7) 0.1555(4) 0.7943(5) 0.0282(14) Uani 1 1 d .
H3 H 0.741373 0.135594 0.811653 0.034 Uiso 1 1 calc R
C1 C 0.4138(8) 0.1470(5) 0.6853(4) 0.0302(14) Uani 1 1 d .
H1 H 0.351308 0.119124 0.626801 0.036 Uiso 1 1 calc R
C10 C 0.3756(6) 0.5733(4) 1.3347(4) 0.0204(12) Uani 1 1 d .
H10 H 0.428461 0.582585 1.397268 0.024 Uiso 1 1 calc R
C14 C 0.1401(9) 0.0838(5) 0.9345(5) 0.0387(17) Uani 1 1 d .
H14A H 0.046991 0.041739 0.894681 0.058 Uiso 1 1 calc GR
H14B H 0.173964 0.049110 0.985390 0.058 Uiso 1 1 calc GR
H14C H 0.228506 0.100236 0.895902 0.058 Uiso 1 1 calc GR
C22 C -0.2724(7) 0.6737(5) 1.4867(4) 0.0247(13) Uani 1 1 d .
C2 C 0.5506(8) 0.1150(5) 0.7091(5) 0.0325(15) Uani 1 1 d .
H2 H 0.580962 0.065621 0.667987 0.039 Uiso 1 1 calc R
C19 C -0.1690(8) 0.4275(5) 1.4075(5) 0.0322(14) Uani 1 1 d .
H19A H -0.243770 0.384791 1.356763 0.048 Uiso 1 1 calc GR
H19B H -0.193836 0.407180 1.468719 0.048 Uiso 1 1 calc GR
H19C H -0.058735 0.422622 1.397907 0.048 Uiso 1 1 calc GR
C24 C 0.2696(10) 0.8488(6) 1.5452(6) 0.060(3) Uani 1 1 d .
H24A H 0.214207 0.804470 1.585613 0.089 Uiso 1 1 calc GR
H24B H 0.305559 0.914575 1.580946 0.089 Uiso 1 1 calc GR
H24C H 0.362717 0.825117 1.524600 0.089 Uiso 1 1 calc GR
C28 C 0.0490(11) 1.0530(5) 1.3277(6) 0.050(2) Uani 1 1 d .
H28A H 0.130649 1.070592 1.285020 0.074 Uiso 1 1 calc GR
H28B H 0.072738 1.100322 1.385632 0.074 Uiso 1 1 calc GR
H28C H -0.057047 1.053668 1.296371 0.074 Uiso 1 1 calc GR
C29 C 0.5598(13) 0.2032(8) 1.1135(6) 0.067(3) Uani 1 1 d .
H29A H 0.463137 0.200924 1.069434 0.081 Uiso 1 1 calc R
H29B H 0.644096 0.258766 1.102042 0.081 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'
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'
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
Lu1 Lu2 Lu2 139.431(10) 2_567 2_567
O5 Lu2 Lu2 77.12(9) . 2_567
O5 Lu2 Lu1 131.01(9) . 2_567
O5 Lu2 O1 132.29(13) . .
O5 Lu2 O4 71.72(13) . .
O5 Lu2 O10 151.62(13) . .
O5 Lu2 O2 74.28(13) . .
O5 Lu2 N3 85.50(14) . .
O3 Lu2 Lu2 107.53(9) 2_567 2_567
O3 Lu2 Lu1 36.43(9) 2_567 2_567
O3 Lu2 O5 120.60(13) 2_567 .
O3 Lu2 O1 71.48(12) 2_567 .
O3 Lu2 O4 73.85(13) 2_567 .
O3 Lu2 O10 77.48(13) 2_567 .
O3 Lu2 O2 140.85(12) 2_567 .
O3 Lu2 O2 72.42(12) 2_567 2_567
O3 Lu2 N3 136.83(13) 2_567 .
O1 Lu2 Lu2 147.78(9) . 2_567
O1 Lu2 Lu1 35.89(9) . 2_567
O1 Lu2 O10 71.95(12) . .
O1 Lu2 N3 65.85(13) . .
O4 Lu2 Lu2 143.41(10) . 2_567
O4 Lu2 Lu1 60.70(10) . 2_567
O4 Lu2 O1 68.47(13) . .
O4 Lu2 O10 136.63(13) . .
O4 Lu2 O2 141.70(13) . .
O4 Lu2 N3 84.65(14) . .
O10 Lu2 Lu2 76.40(8) . 2_567
O10 Lu2 Lu1 76.90(8) . 2_567
O10 Lu2 N3 94.98(14) . .
O2 Lu2 Lu2 37.05(8) 2_567 2_567
O2 Lu2 Lu2 36.29(8) . 2_567
O2 Lu2 Lu1 154.48(9) . 2_567
O2 Lu2 Lu1 108.11(8) 2_567 2_567
O2 Lu2 O5 85.13(13) 2_567 .
O2 Lu2 O1 127.97(12) . .
O2 Lu2 O1 137.98(12) 2_567 .
O2 Lu2 O4 120.05(13) 2_567 .
O2 Lu2 O10 79.90(12) 2_567 .
O2 Lu2 O10 78.37(12) . .
O2 Lu2 O2 73.35(13) 2_567 .
O2 Lu2 N3 148.87(13) 2_567 .
O2 Lu2 N3 75.54(13) . .
N3 Lu2 Lu2 111.83(10) . 2_567
N3 Lu2 Lu1 100.41(10) . 2_567
O6 Lu1 Lu2 83.01(9) . 2_567
O6 Lu1 O3 76.74(13) . .
O6 Lu1 O1 82.49(14) . 2_567
O6 Lu1 O8 89.43(14) . .
O6 Lu1 N1 116.46(15) . 2_567
O3 Lu1 Lu2 35.93(8) . 2_567
O3 Lu1 N1 134.08(14) . 2_567
O1 Lu1 Lu2 37.25(9) 2_567 2_567
O1 Lu1 O3 72.34(12) 2_567 .
O1 Lu1 O8 162.39(13) 2_567 .
O1 Lu1 N1 66.81(14) 2_567 2_567
O9 Lu1 Lu2 106.78(11) . 2_567
O9 Lu1 O6 163.91(15) . .
O9 Lu1 O3 103.46(14) . .
O9 Lu1 O1 113.11(14) . 2_567
O9 Lu1 O8 74.49(15) . .
O9 Lu1 O7 98.27(15) . .
O9 Lu1 N1 75.26(16) . 2_567
O8 Lu1 Lu2 126.34(10) . 2_567
O8 Lu1 O3 90.62(13) . .
O8 Lu1 N1 130.67(15) . 2_567
O7 Lu1 Lu2 150.10(11) . 2_567
O7 Lu1 O6 76.75(14) . .
O7 Lu1 O3 150.16(14) . .
O7 Lu1 O1 117.17(14) . 2_567
O7 Lu1 O8 75.67(15) . .
O7 Lu1 N1 71.24(15) . 2_567
N1 Lu1 Lu2 99.30(11) 2_567 2_567
C17 O5 Lu2 128.3(3) . .
C20 O6 Lu1 132.8(4) . .
Lu2 O3 Lu1 107.64(14) 2_567 .
C12 O3 Lu2 114.6(3) . 2_567
C12 O3 Lu1 131.9(3) . .
Lu1 O1 Lu2 106.86(14) 2_567 .
C6 O1 Lu2 114.4(3) . .
C6 O1 Lu1 123.8(3) . 2_567
C15 O4 Lu2 129.9(4) . .
Lu2 O2 Lu2 106.65(13) 2_567 .
C13 O2 Lu2 129.1(3) . .
C13 O2 Lu2 115.0(3) . 2_567
C27 O9 Lu1 135.1(4) . .
C25 O8 Lu1 134.1(4) . .
C22 O7 Lu1 133.8(4) . .
N2 N3 Lu2 116.4(3) . .
C7 N3 Lu2 131.1(3) . .
C7 N3 N2 112.0(4) . .
C5 N1 Lu1 116.5(3) . 2_567
C1 N1 Lu1 126.0(4) . 2_567
C1 N1 C5 117.4(5) . .
C17 C16 C15 122.5(5) . .
C6 N2 N3 110.4(4) . .
O1 C6 C5 117.0(5) . .
N2 C6 O1 125.3(5) . .
N2 C6 C5 117.5(5) . .
C3 C4 C5 119.0(5) . .
O6 C20 C21 124.8(6) . .
O6 C20 C19 115.8(5) . .
C21 C20 C19 119.3(5) . .
O3 C12 C11 122.3(5) . .
O3 C12 C13 118.3(4) . .
C11 C12 C13 119.3(5) . .
N3 C7 C8 124.7(5) . .
C12 C11 C10 121.4(5) . .
O4 C15 C16 123.7(5) . .
O4 C15 C14 116.9(6) . .
C16 C15 C14 119.4(6) . .
O9 C27 C26 124.8(6) . .
O9 C27 C28 116.2(6) . .
C26 C27 C28 119.0(6) . .
O2 C13 C12 117.8(4) . .
O2 C13 C8 123.3(4) . .
C8 C13 C12 118.8(4) . .
O8 C25 C26 124.9(6) . .
O8 C25 C24 115.6(6) . .
C26 C25 C24 119.5(6) . .
C20 C21 C22 124.2(6) . .
C10 C9 C8 121.0(5) . .
N1 C5 C6 113.6(5) . .
N1 C5 C4 122.8(5) . .
C4 C5 C6 123.5(5) . .
C25 C26 C27 122.8(6) . .
O5 C17 C16 124.7(5) . .
O5 C17 C18 115.5(5) . .
C16 C17 C18 119.9(5) . .
C13 C8 C7 125.7(5) . .
C9 C8 C7 114.5(5) . .
C9 C8 C13 119.7(5) . .
C4 C3 C2 118.2(5) . .
N1 C1 C2 123.2(6) . .
C9 C10 C11 119.7(5) . .
O7 C22 C23 116.8(6) . .
O7 C22 C21 125.2(5) . .
C21 C22 C23 117.9(6) . .
C1 C2 C3 119.3(5) . .
Cl1 C29 Cl2 114.7(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Lu2 Lu2 3.6974(4) 2_567
Lu2 Lu1 3.6875(3) 2_567
Lu2 O5 2.293(4) .
Lu2 O3 2.271(3) 2_567
Lu2 O1 2.332(3) .
Lu2 O4 2.310(4) .
Lu2 O10 2.371(4) .
Lu2 O2 2.325(3) .
Lu2 O2 2.284(3) 2_567
Lu2 N3 2.372(4) .
Lu1 O6 2.250(4) .
Lu1 O3 2.298(3) .
Lu1 O1 2.259(4) 2_567
Lu1 O9 2.214(4) .
Lu1 O8 2.263(4) .
Lu1 O7 2.242(4) .
Lu1 N1 2.494(5) 2_567
Cl2 C29 1.750(9) .
O5 C17 1.285(7) .
O6 C20 1.278(7) .
Cl1 C29 1.639(10) .
O3 C12 1.353(6) .
O1 C6 1.309(6) .
O4 C15 1.265(7) .
O2 C13 1.342(6) .
O9 C27 1.269(7) .
O8 C25 1.263(7) .
O7 C22 1.263(7) .
N3 N2 1.417(6) .
N3 C7 1.292(7) .
N1 C5 1.347(7) .
N1 C1 1.341(7) .
C23 C22 1.511(8) .
C16 C15 1.412(9) .
C16 C17 1.382(8) .
N2 C6 1.291(7) .
C6 C5 1.475(7) .
C4 C5 1.389(7) .
C4 C3 1.378(8) .
C20 C21 1.395(8) .
C20 C19 1.508(8) .
C12 C11 1.390(7) .
C12 C13 1.422(7) .
C7 C8 1.442(7) .
C11 C10 1.396(8) .
C15 C14 1.511(8) .
C27 C26 1.386(9) .
C27 C28 1.516(9) .
C13 C8 1.412(7) .
C25 C26 1.386(10) .
C25 C24 1.511(9) .
C21 C22 1.399(9) .
C9 C8 1.410(7) .
C9 C10 1.367(8) .
C18 C17 1.509(8) .
C3 C2 1.394(9) .
C1 C2 1.370(9) .
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
_geom_torsion_site_symmetry_1
Lu2 O5 C17 C16 -33.1(8) .
Lu2 O5 C17 C18 147.7(4) .
Lu2 O3 C12 C11 -169.7(4) 2_567
Lu2 O3 C12 C13 11.9(6) 2_567
Lu2 O1 C6 N2 -23.4(7) .
Lu2 O1 C6 C5 151.9(4) .
Lu2 O4 C15 C16 27.7(8) .
Lu2 O4 C15 C14 -151.9(4) .
Lu2 O2 C13 C12 -8.7(6) 2_567
Lu2 O2 C13 C12 -150.5(3) .
Lu2 O2 C13 C8 31.2(7) .
Lu2 O2 C13 C8 173.0(4) 2_567
Lu2 N3 N2 C6 19.4(5) .
Lu2 N3 C7 C8 -6.5(8) .
Lu1 O6 C20 C21 14.6(9) .
Lu1 O6 C20 C19 -169.0(4) .
Lu1 O3 C12 C11 -20.6(7) .
Lu1 O3 C12 C13 160.9(3) .
Lu1 O1 C6 N2 -156.6(4) 2_567
Lu1 O1 C6 C5 18.6(6) 2_567
Lu1 O9 C27 C26 15.9(10) .
Lu1 O9 C27 C28 -166.0(5) .
Lu1 O8 C25 C26 -10.6(10) .
Lu1 O8 C25 C24 171.0(5) .
Lu1 O7 C22 C23 178.4(4) .
Lu1 O7 C22 C21 -5.6(9) .
Lu1 N1 C5 C6 2.1(6) 2_567
Lu1 N1 C5 C4 179.9(4) 2_567
Lu1 N1 C1 C2 -179.3(5) 2_567
O6 C20 C21 C22 0.7(10) .
O3 C12 C11 C10 -176.2(5) .
O3 C12 C13 O2 -2.1(7) .
O3 C12 C13 C8 176.2(4) .
O1 C6 C5 N1 -12.4(7) .
O1 C6 C5 C4 169.8(5) .
O2 C13 C8 C7 1.5(8) .
O2 C13 C8 C9 178.8(5) .
O9 C27 C26 C25 3.3(11) .
O8 C25 C26 C27 -5.5(11) .
N3 N2 C6 O1 2.6(7) .
N3 N2 C6 C5 -172.6(4) .
N3 C7 C8 C13 -14.2(9) .
N3 C7 C8 C9 168.4(5) .
N1 C1 C2 C3 -0.5(11) .
N2 N3 C7 C8 -177.4(5) .
N2 C6 C5 N1 163.2(5) .
N2 C6 C5 C4 -14.6(8) .
C4 C3 C2 C1 1.4(10) .
C20 C21 C22 O7 -5.4(10) .
C20 C21 C22 C23 170.6(6) .
C12 C11 C10 C9 -0.3(8) .
C12 C13 C8 C7 -176.7(5) .
C12 C13 C8 C9 0.5(7) .
C7 N3 N2 C6 -168.2(5) .
C11 C12 C13 O2 179.4(5) .
C11 C12 C13 C8 -2.3(7) .
C15 C16 C17 O5 -4.0(10) .
C15 C16 C17 C18 175.2(6) .
C13 C12 C11 C10 2.3(8) .
C5 N1 C1 C2 -0.8(10) .
C5 C4 C3 C2 -1.0(9) .
C17 C16 C15 O4 6.9(10) .
C17 C16 C15 C14 -173.5(6) .
C8 C9 C10 C11 -1.5(8) .
C3 C4 C5 N1 -0.4(8) .
C3 C4 C5 C6 177.2(5) .
C1 N1 C5 C6 -176.5(5) .
C1 N1 C5 C4 1.3(8) .
C10 C9 C8 C7 179.0(5) .
C10 C9 C8 C13 1.4(8) .
C19 C20 C21 C22 -175.5(6) .
C24 C25 C26 C27 172.8(7) .
C28 C27 C26 C25 -174.8(6) .
