#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:16:36 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180420 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/89/7208958.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_7208958
loop_
_publ_author_name
'Saines, Paul J.'
'Steinmann, Mark'
'Tan, Jin-Chong'
'Yeung, Hamish H.-M.'
'Cheetham, Anthony K.'
_publ_section_title
;
 Structural diversity and luminescent properties of lanthanide 2,2- and
 2,3-dimethylsuccinate frameworks
;
_journal_issue                   1
_journal_name_full               CrystEngComm
_journal_page_first              100
_journal_paper_doi               10.1039/c2ce26279g
_journal_volume                  15
_journal_year                    2013
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C24 H37 Lu3 O19'
_chemical_formula_sum            'C24 H37 Lu3 O19'
_chemical_formula_weight         1154.211
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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_date             2012-05-17T12:16:01-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                116.813(2)
_cell_angle_beta                 94.0420(10)
_cell_angle_gamma                113.589(2)
_cell_formula_units_Z            2
_cell_length_a                   11.8632(2)
_cell_length_b                   13.0361(3)
_cell_length_c                   13.1531(2)
_cell_measurement_reflns_used    37339
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      32.5687
_cell_measurement_theta_min      2.9945
_cell_measurement_wavelength     0.71073
_cell_volume                     1583.45(7)
_computing_cell_refinement
'CrysAlisPro V1.171.35.11 (Agilent Technologies)'
_computing_data_collection
'CrysAlisPro V1.171.35.11 (Agilent Technologies)'
_computing_data_reduction
'CrysAlisPro V1.171.35.11 (Agilent Technologies)'
_computing_molecular_graphics    'Diamond (Brandenburg 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 16.1183
_diffrn_measured_fraction_theta_full 0.9973
_diffrn_measured_fraction_theta_max 0.941
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0506
_diffrn_reflns_av_unetI/netI     0.0242
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            79702
_diffrn_reflns_theta_full        30.44
_diffrn_reflns_theta_max         32.64
_diffrn_reflns_theta_min         3
_exptl_absorpt_coefficient_mu    9.328
_exptl_absorpt_correction_T_max  0.461
_exptl_absorpt_correction_T_min  0.044
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.421
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1092
_exptl_crystal_size_max          0.6825
_exptl_crystal_size_mid          0.3351
_exptl_crystal_size_min          0.0882
_refine_diff_density_max         3.38
_refine_diff_density_min         -2.732
_refine_diff_density_rms         0.211
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     441
_refine_ls_number_reflns         10907
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0248
_refine_ls_R_factor_gt           0.0236
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0358P)²+1.8070P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0634
_refine_ls_wR_factor_ref         0.0644
_reflns_number_gt                10508
_reflns_number_total             10907
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce26279g.txt
_cod_data_source_block           Compound11
_cod_original_cell_volume        1583.45(5)
_cod_database_code               7208958
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
Lu3 Lu 0.484747(9) 0.708473(10) 0.927330(10) 0.00769(3) Uani 1 1 d . . .
Lu2 Lu 0.827103(9) 0.755350(10) 1.025855(10) 0.00858(3) Uani 1 1 d . . .
Lu1 Lu 1.178052(9) 0.803256(10) 1.080136(10) 0.00964(3) Uani 1 1 d . . .
O24 O 0.72868(18) 0.52177(19) 0.9084(2) 0.0146(4) Uani 1 1 d . A .
O32 O 0.61177(18) 0.77422(19) 0.82515(19) 0.0122(3) Uani 1 1 d . . .
O23 O 0.59188(18) 0.59811(18) 0.93606(19) 0.0131(3) Uani 1 1 d . A .
O31 O 0.79057(19) 0.7608(2) 0.85965(19) 0.0159(4) Uani 1 1 d . A .
O1 O 1.20817(19) 0.7614(2) 0.9044(2) 0.0159(4) Uani 1 1 d . . .
C31 C 0.7053(2) 0.7589(2) 0.7948(2) 0.0103(4) Uani 1 1 d . A .
C1 C 1.2762(2) 0.7753(2) 0.8366(2) 0.0101(4) Uani 1 1 d . A .
C2 C 1.2232(2) 0.7934(2) 0.7394(2) 0.0105(4) Uani 1 1 d . . .
C32 C 0.7161(2) 0.7316(2) 0.6712(2) 0.0106(4) Uani 1 1 d . . .
C25 C 0.5026(2) 0.3663(3) 0.7937(3) 0.0136(5) Uani 1 1 d . . .
H25A H 0.4584 0.3736 0.7345 0.016 Uiso 1 1 calc R A .
H25B H 0.4423 0.3407 0.8348 0.016 Uiso 1 1 calc R . .
C26 C 0.6146(2) 0.5006(2) 0.8837(2) 0.0115(4) Uani 1 1 d . A .
C12 C 0.9596(2) 0.7111(3) 1.3266(3) 0.0132(5) Uani 1 1 d . A .
C4 C 1.0922(3) 0.6684(3) 0.6573(3) 0.0161(5) Uani 1 1 d . A .
H4A H 1.1061 0.5943 0.6159 0.024 Uiso 1 1 calc R . .
H4B H 1.0519 0.6797 0.6002 0.024 Uiso 1 1 calc R . .
H4C H 1.0371 0.6534 0.7049 0.024 Uiso 1 1 calc R . .
C33 C 0.6152(3) 0.7427(3) 0.6040(3) 0.0164(5) Uani 1 1 d . A .
H33A H 0.5308 0.6885 0.6025 0.025 Uiso 1 1 calc R . .
H33B H 0.6184 0.7140 0.5235 0.025 Uiso 1 1 calc R . .
H33C H 0.6332 0.8325 0.6438 0.025 Uiso 1 1 calc R . .
C34 C 0.6926(3) 0.5888(3) 0.6015(3) 0.0166(5) Uani 1 1 d . A .
H34A H 0.7595 0.5829 0.6402 0.025 Uiso 1 1 calc R . .
H34B H 0.6936 0.5643 0.5211 0.025 Uiso 1 1 calc R . .
H34C H 0.6102 0.5307 0.6000 0.025 Uiso 1 1 calc R . .
C11 C 0.9502(3) 0.7273(3) 1.2197(3) 0.0212(6) Uani 1 1 d . . .
C22 C 0.5353(2) 0.2552(3) 0.7275(3) 0.0124(4) Uani 1 1 d . A .
C3 C 1.3131(3) 0.8101(3) 0.6635(3) 0.0165(5) Uani 1 1 d . A .
H3A H 1.3935 0.8899 0.7129 0.025 Uiso 1 1 calc R . .
H3B H 1.2733 0.8142 0.6003 0.025 Uiso 1 1 calc R . .
H3C H 1.3291 0.7367 0.6296 0.025 Uiso 1 1 calc R . .
C14 C 1.0201(3) 0.6230(3) 1.3140(4) 0.0273(7) Uani 1 1 d . . .
H14A H 0.9601 0.5338 1.2524 0.041 Uiso 1 1 calc R A .
H14B H 1.0401 0.6279 1.3885 0.041 Uiso 1 1 calc R . .
H14C H 1.0979 0.6525 1.2931 0.041 Uiso 1 1 calc R . .
C13 C 1.0518(3) 0.8510(3) 1.4348(3) 0.0279(7) Uani 1 1 d . . .
H13A H 1.1345 0.8842 1.4225 0.042 Uiso 1 1 calc R A .
H13B H 1.0620 0.8480 1.5063 0.042 Uiso 1 1 calc R . .
H13C H 1.0163 0.9078 1.4429 0.042 Uiso 1 1 calc R . .
O12 O 0.8535(3) 0.7323(2) 1.1819(2) 0.0299(5) Uani 1 1 d . A .
O2 O 1.37908(18) 0.77009(19) 0.8410(2) 0.0145(4) Uani 1 1 d . . .
C5 C 1.1967(2) 0.9102(2) 0.7977(3) 0.0121(4) Uani 1 1 d . A .
H5A H 1.1616 0.9186 0.7348 0.014 Uiso 1 1 calc R . .
H5B H 1.1304 0.8893 0.8353 0.014 Uiso 1 1 calc R . .
C6 C 1.3105(2) 1.0420(3) 0.8900(2) 0.0107(4) Uani 1 1 d . . .
O4 O 1.30109(17) 1.14678(18) 0.92223(18) 0.0119(3) Uani 1 1 d . . .
O3 O 1.41256(18) 1.05343(19) 0.93992(18) 0.0113(3) Uani 1 1 d . . .
C35 C 0.8558(2) 0.8263(3) 0.6878(3) 0.0121(4) Uani 1 1 d . A .
H35A H 0.9124 0.7956 0.7053 0.014 Uiso 1 1 calc R . .
H35B H 0.8595 0.8225 0.6128 0.014 Uiso 1 1 calc R . .
C36 C 0.9071(2) 0.9693(2) 0.7866(3) 0.0122(5) Uani 1 1 d . . .
O33 O 0.82731(19) 1.0103(2) 0.8095(2) 0.0201(4) Uani 1 1 d . . .
O34 O 1.02720(18) 1.0376(2) 0.8379(2) 0.0205(5) Uani 1 1 d . . .
C16 C 0.7182(2) 0.5294(3) 1.2491(3) 0.0119(4) Uani 1 1 d . . .
C15 C 0.8290(3) 0.6602(3) 1.3484(3) 0.0145(5) Uani 1 1 d . . .
H15A H 0.8422 0.6541 1.4187 0.017 Uiso 1 1 calc R A .
H15B H 0.8018 0.7261 1.3680 0.017 Uiso 1 1 calc R . .
O14 O 0.61461(17) 0.48013(19) 1.27128(18) 0.0125(3) Uani 1 1 d . . .
O13 O 0.72524(18) 0.46936(19) 1.14390(19) 0.0142(4) Uani 1 1 d . . .
C21 C 0.6063(3) 0.2395(2) 0.8169(2) 0.0120(4) Uani 1 1 d . . .
C23 C 0.4060(3) 0.1252(3) 0.6515(3) 0.0204(6) Uani 1 1 d . . .
H23A H 0.3549 0.1124 0.7024 0.031 Uiso 1 1 calc R A .
H23B H 0.4233 0.0531 0.6130 0.031 Uiso 1 1 calc R . .
H23C H 0.3597 0.1294 0.5919 0.031 Uiso 1 1 calc R . .
O21 O 0.5764(2) 0.2612(2) 0.91300(19) 0.0167(4) Uani 1 1 d . . .
O22 O 0.6876(2) 0.2010(2) 0.7902(2) 0.0183(4) Uani 1 1 d . . .
C24 C 0.6136(3) 0.2778(3) 0.6448(3) 0.0176(5) Uani 1 1 d . . .
H24A H 0.5659 0.2846 0.5882 0.026 Uiso 1 1 calc R A .
H24B H 0.6296 0.2053 0.6027 0.026 Uiso 1 1 calc R . .
H24C H 0.6944 0.3577 0.6916 0.026 Uiso 1 1 calc R . .
O1H O 0.9890(2) 0.7405(3) 0.9697(2) 0.0260(5) Uani 1 1 d D A 1
H1H H 0.987(5) 0.730(5) 0.901(2) 0.039 Uiso 1 1 d D B 1
O1W O 1.37686(18) 0.9826(2) 1.1304(2) 0.0148(4) Uani 1 1 d D C 2
H1WA H 1.439(3) 0.976(3) 1.104(4) 0.022 Uiso 1 1 d D D 2
H1WB H 1.384(3) 1.057(2) 1.151(4) 0.022 Uiso 1 1 d D E 2
O2W O 1.1203(2) 0.5811(2) 0.9901(2) 0.0208(5) Uani 1 1 d D F 3
H2WA H 1.159(4) 0.549(4) 0.944(3) 0.031 Uiso 1 1 d D G 3
H2WB H 1.105(4) 0.552(4) 1.036(3) 0.031 Uiso 1 1 d D H 3
O11 O 1.0630(5) 0.7505(6) 1.1957(5) 0.0255(8) Uani 0.50 1 d PU A .
O11A O 1.0305(5) 0.7351(6) 1.1669(5) 0.0255(8) Uani 0.50 1 d PU A .
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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Lu Lu -0.472 5.8584 '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
O21 Lu3 O2 103.75(8) 2_667 1_455
O21 Lu3 O32 153.67(8) 2_667 .
O2 Lu3 O32 76.19(7) 1_455 .
O21 Lu3 O23 98.10(8) 2_667 .
O2 Lu3 O23 156.25(8) 1_455 .
O32 Lu3 O23 88.34(7) . .
O21 Lu3 O13 75.07(7) 2_667 2_667
O2 Lu3 O13 80.84(7) 1_455 2_667
O32 Lu3 O13 129.85(7) . 2_667
O23 Lu3 O13 96.12(7) . 2_667
O21 Lu3 O14 129.06(7) 2_667 2_667
O2 Lu3 O14 79.40(7) 1_455 2_667
O32 Lu3 O14 77.16(7) . 2_667
O23 Lu3 O14 79.66(7) . 2_667
O13 Lu3 O14 54.96(7) 2_667 2_667
O21 Lu3 O3 75.05(7) 2_667 2_777
O2 Lu3 O3 75.49(7) 1_455 2_777
O32 Lu3 O3 79.58(7) . 2_777
O23 Lu3 O3 119.79(7) . 2_777
O13 Lu3 O3 135.77(7) 2_667 2_777
O14 Lu3 O3 149.10(7) 2_667 2_777
O21 Lu3 O4 81.54(7) 2_667 2_777
O2 Lu3 O4 125.43(7) 1_455 2_777
O32 Lu3 O4 77.64(7) . 2_777
O23 Lu3 O4 66.68(6) . 2_777
O13 Lu3 O4 148.72(7) 2_667 2_777
O14 Lu3 O4 138.10(6) 2_667 2_777
O3 Lu3 O4 53.11(6) 2_777 2_777
O21 Lu3 C16 102.33(8) 2_667 2_667
O2 Lu3 C16 78.30(8) 1_455 2_667
O32 Lu3 C16 103.38(8) . 2_667
O23 Lu3 C16 88.13(7) . 2_667
O13 Lu3 C16 27.60(7) 2_667 2_667
O14 Lu3 C16 27.37(7) 2_667 2_667
O3 Lu3 C16 152.08(7) 2_777 2_667
O4 Lu3 C16 154.80(7) 2_777 2_667
O21 Lu3 C6 77.12(8) 2_667 2_777
O2 Lu3 C6 100.10(7) 1_455 2_777
O32 Lu3 C6 77.00(7) . 2_777
O23 Lu3 C6 93.67(7) . 2_777
O13 Lu3 C6 151.54(7) 2_667 2_777
O14 Lu3 C6 153.47(7) 2_667 2_777
O3 Lu3 C6 26.12(7) 2_777 2_777
O4 Lu3 C6 26.99(6) 2_777 2_777
C16 Lu3 C6 178.18(7) 2_667 2_777
O1H Lu2 O12 99.41(10) . .
O1H Lu2 O34 84.78(9) . 2_777
O12 Lu2 O34 81.49(10) . 2_777
O1H Lu2 O31 80.61(9) . .
O12 Lu2 O31 175.34(9) . .
O34 Lu2 O31 103.14(9) 2_777 .
O1H Lu2 O4 153.78(9) . 2_777
O12 Lu2 O4 97.67(9) . 2_777
O34 Lu2 O4 78.25(7) 2_777 2_777
O31 Lu2 O4 83.94(7) . 2_777
O1H Lu2 O24 81.75(8) . .
O12 Lu2 O24 85.31(9) . .
O34 Lu2 O24 159.31(7) 2_777 .
O31 Lu2 O24 90.09(8) . .
O4 Lu2 O24 119.46(7) 2_777 .
O1H Lu2 O23 130.95(8) . .
O12 Lu2 O23 96.16(9) . .
O34 Lu2 O23 143.70(7) 2_777 .
O31 Lu2 O23 80.46(7) . .
O4 Lu2 O23 66.11(6) 2_777 .
O24 Lu2 O23 53.53(6) . .
O1H Lu2 C26 105.40(9) . .
O12 Lu2 C26 92.62(9) . .
O34 Lu2 C26 169.03(8) 2_777 .
O31 Lu2 C26 82.90(8) . .
O4 Lu2 C26 93.49(7) 2_777 .
O24 Lu2 C26 26.28(7) . .
O23 Lu2 C26 27.38(7) . .
O1H Lu1 O1 77.02(8) . .
O1H Lu1 O33 83.45(9) . 2_777
O1 Lu1 O33 116.71(9) . 2_777
O1H Lu1 O11A 72.81(17) . .
O1 Lu1 O11A 142.93(17) . .
O33 Lu1 O11A 80.85(17) 2_777 .
O1H Lu1 O11 83.51(17) . .
O1 Lu1 O11 152.03(17) . .
O33 Lu1 O11 80.18(17) 2_777 .
O11A Lu1 O11 10.8(2) . .
O1H Lu1 O22 154.07(9) . 2_767
O1 Lu1 O22 118.43(8) . 2_767
O33 Lu1 O22 104.79(8) 2_777 2_767
O11A Lu1 O22 84.12(16) . 2_767
O11 Lu1 O22 74.01(16) . 2_767
O1H Lu1 O1W 128.32(9) . .
O1 Lu1 O1W 76.70(8) . .
O33 Lu1 O1W 70.18(7) 2_777 .
O11A Lu1 O1W 139.75(16) . .
O11 Lu1 O1W 131.24(16) . .
O22 Lu1 O1W 77.23(8) 2_767 .
O1H Lu1 O2W 87.63(9) . .
O1 Lu1 O2W 79.49(8) . .
O33 Lu1 O2W 158.91(8) 2_777 .
O11A Lu1 O2W 78.26(17) . .
O11 Lu1 O2W 79.84(17) . .
O22 Lu1 O2W 75.99(9) 2_767 .
O1W Lu1 O2W 129.32(7) . .
C26 O24 Lu2 96.38(16) . .
C31 O32 Lu3 133.26(17) . .
C26 O23 Lu3 149.86(18) . .
C26 O23 Lu2 90.73(15) . .
Lu3 O23 Lu2 108.69(7) . .
C31 O31 Lu2 139.52(18) . .
C1 O1 Lu1 153.99(19) . .
O31 C31 O32 124.0(2) . .
O31 C31 C32 116.5(2) . .
O32 C31 C32 119.5(2) . .
O2 C1 O1 124.5(2) . .
O2 C1 C2 118.7(2) . .
O1 C1 C2 116.8(2) . .
C3 C2 C1 112.4(2) . .
C3 C2 C5 111.5(2) . .
C1 C2 C5 109.5(2) . .
C3 C2 C4 108.8(2) . .
C1 C2 C4 107.0(2) . .
C5 C2 C4 107.5(2) . .
C31 C32 C33 112.4(2) . .
C31 C32 C35 107.8(2) . .
C33 C32 C35 112.4(2) . .
C31 C32 C34 105.6(2) . .
C33 C32 C34 109.2(2) . .
C35 C32 C34 109.1(2) . .
C26 C25 C22 116.7(2) . .
O24 C26 O23 118.8(2) . .
O24 C26 C25 122.8(2) . .
O23 C26 C25 118.4(2) . .
O24 C26 Lu2 57.33(14) . .
O23 C26 Lu2 61.89(13) . .
C25 C26 Lu2 172.45(19) . .
C11 C12 C15 112.0(2) . .
C11 C12 C14 111.2(3) . .
C15 C12 C14 111.3(2) . .
C11 C12 C13 105.1(2) . .
C15 C12 C13 108.5(2) . .
C14 C12 C13 108.4(3) . .
O11A C11 O12 117.3(4) . .
O12 C11 O11 133.3(4) . .
O11A C11 C12 124.1(4) . .
O12 C11 C12 118.6(3) . .
O11 C11 C12 107.4(4) . .
C24 C22 C21 111.2(2) . .
C24 C22 C25 111.6(2) . .
C21 C22 C25 110.5(2) . .
C24 C22 C23 109.1(2) . .
C21 C22 C23 106.7(2) . .
C25 C22 C23 107.6(2) . .
C11 O12 Lu2 122.4(2) . .
C1 O2 Lu3 137.07(18) . 1_655
C6 C5 C2 116.6(2) . .
O3 C6 O4 118.5(2) . .
O3 C6 C5 122.5(2) . .
O4 C6 C5 118.9(2) . .
O3 C6 Lu3 58.91(14) . 2_777
O4 C6 Lu3 59.63(13) . 2_777
C5 C6 Lu3 176.59(18) . 2_777
C6 O4 Lu2 146.34(16) . 2_777
C6 O4 Lu3 93.38(15) . 2_777
Lu2 O4 Lu3 109.45(8) 2_777 2_777
C6 O3 Lu3 94.97(16) . 2_777
C36 C35 C32 114.8(2) . .
O33 C36 O34 125.0(3) . .
O33 C36 C35 117.9(2) . .
O34 C36 C35 117.1(2) . .
C36 O33 Lu1 140.20(18) . 2_777
C36 O34 Lu2 139.07(18) . 2_777
O14 C16 O13 119.2(2) . .
O14 C16 C15 118.5(2) . .
O13 C16 C15 122.3(2) . .
O14 C16 Lu3 60.40(14) . 2_667
O13 C16 Lu3 58.87(13) . 2_667
C15 C16 Lu3 178.79(19) . 2_667
C16 C15 C12 118.3(2) . .
C16 O14 Lu3 92.24(17) . 2_667
C16 O13 Lu3 93.53(15) . 2_667
O22 C21 O21 123.0(3) . .
O22 C21 C22 118.6(2) . .
O21 C21 C22 118.3(2) . .
C21 O21 Lu3 177.2(2) . 2_667
C21 O22 Lu1 123.96(19) . 2_767
Lu2 O1H Lu1 128.50(12) . .
C11 O11 Lu1 143.9(4) . .
C11 O11A Lu1 163.3(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Lu3 O21 2.188(2) 2_667
Lu3 O2 2.2210(19) 1_455
Lu3 O32 2.2589(19) .
Lu3 O23 2.3001(18) .
Lu3 O13 2.3552(19) 2_667
Lu3 O14 2.390(2) 2_667
Lu3 O3 2.440(2) 2_777
Lu3 O4 2.4529(19) 2_777
Lu3 C16 2.746(3) 2_667
Lu3 C6 2.838(3) 2_777
Lu2 O1H 2.154(2) .
Lu2 O12 2.223(2) .
Lu2 O34 2.225(2) 2_777
Lu2 O31 2.237(2) .
Lu2 O4 2.3066(18) 2_777
Lu2 O24 2.383(2) .
Lu2 O23 2.4813(19) .
Lu2 C26 2.813(3) .
Lu1 O1H 2.193(2) .
Lu1 O1 2.214(2) .
Lu1 O33 2.230(2) 2_777
Lu1 O11A 2.260(6) .
Lu1 O11 2.265(6) .
Lu1 O22 2.286(2) 2_767
Lu1 O1W 2.3317(19) .
Lu1 O2W 2.337(2) .
O24 C26 1.253(3) .
O32 C31 1.264(3) .
O23 C26 1.294(3) .
O31 C31 1.261(3) .
O1 C1 1.268(3) .
C31 C32 1.526(4) .
C1 O2 1.248(3) .
C1 C2 1.538(4) .
C2 C3 1.530(4) .
C2 C5 1.539(4) .
C2 C4 1.545(4) .
C32 C33 1.530(4) .
C32 C35 1.545(3) .
C32 C34 1.547(4) .
C25 C26 1.509(4) .
C25 C22 1.538(4) .
C12 C11 1.516(4) .
C12 C15 1.529(4) .
C12 C14 1.537(4) .
C12 C13 1.547(4) .
C11 O11A 1.216(7) .
C11 O12 1.255(4) .
C11 O11 1.343(7) .
C22 C24 1.532(4) .
C22 C21 1.533(4) .
C22 C23 1.549(4) .
O2 Lu3 2.2210(19) 1_655
C5 C6 1.510(4) .
C6 O3 1.254(3) .
C6 O4 1.290(3) .
C6 Lu3 2.838(3) 2_777
O4 Lu2 2.3066(18) 2_777
O4 Lu3 2.4529(19) 2_777
O3 Lu3 2.4396(19) 2_777
C35 C36 1.527(4) .
C36 O33 1.253(3) .
C36 O34 1.259(3) .
O33 Lu1 2.230(2) 2_777
O34 Lu2 2.225(2) 2_777
C16 O14 1.263(3) .
C16 O13 1.275(3) .
C16 C15 1.516(4) .
C16 Lu3 2.746(3) 2_667
O14 Lu3 2.390(2) 2_667
O13 Lu3 2.3552(19) 2_667
C21 O22 1.258(3) .
C21 O21 1.274(3) .
O21 Lu3 2.188(2) 2_667
O22 Lu1 2.286(2) 2_767
