#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:16:36 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180420 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/89/7208951.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_7208951
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         'C18 H28 Ce2 O14'
_chemical_formula_sum            'C18 H28 Ce2 O14'
_chemical_formula_weight         748.64
_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             2012-05-29T16:42:31-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                98.660(9)
_cell_angle_beta                 103.678(9)
_cell_angle_gamma                118.293(11)
_cell_formula_units_Z            2
_cell_length_a                   11.0074(13)
_cell_length_b                   11.1582(12)
_cell_length_c                   12.1118(12)
_cell_measurement_reflns_used    3673
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      72.234
_cell_measurement_theta_min      3.9436
_cell_measurement_wavelength     1.54184
_cell_volume                     1211.3(3)
_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 0.993
_diffrn_measured_fraction_theta_max 0.96
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Enhance Ultra (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0554
_diffrn_reflns_av_unetI/netI     0.0724
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8760
_diffrn_reflns_theta_full        66.97
_diffrn_reflns_theta_max         72.38
_diffrn_reflns_theta_min         3.95
_exptl_absorpt_coefficient_mu    29.554
_exptl_absorpt_correction_T_max  0.592
_exptl_absorpt_correction_T_min  0.184
_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    2.053
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       sheet
_exptl_crystal_F_000             728
_exptl_crystal_size_max          0.1259
_exptl_crystal_size_mid          0.0769
_exptl_crystal_size_min          0.0199
_refine_diff_density_max         2.491
_refine_diff_density_min         -2.346
_refine_diff_density_rms         0.24
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4593
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0651
_refine_ls_R_factor_gt           0.0538
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0864P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1422
_refine_ls_wR_factor_ref         0.1545
_reflns_number_gt                3719
_reflns_number_total             4593
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce26279g.txt
_cod_data_source_block           Compound3
_cod_original_cell_volume        1211.3(2)
_cod_database_code               7208951
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
Ce1 Ce 0.01302(5) 0.33631(5) 0.54018(4) 0.01856(16) Uani 1 1 d .
Ce2 Ce 0.30489(5) 0.31269(5) 0.40995(4) 0.01860(16) Uani 1 1 d .
O11 O 0.4834(7) 0.3534(7) 0.3126(6) 0.0307(15) Uani 1 1 d .
O23 O 0.1341(7) 0.1038(6) 0.6632(5) 0.0224(13) Uani 1 1 d .
O24 O 0.0842(7) 0.2711(6) 0.7187(5) 0.0228(13) Uani 1 1 d .
O22 O -0.1376(7) -0.1604(7) 0.8048(6) 0.0289(14) Uani 1 1 d .
C14 C 0.5201(11) 0.1205(12) 0.1811(10) 0.037(2) Uani 1 1 d .
H14A H 0.488 0.1266 0.2477 0.056 Uiso 1 1 calc R
H14B H 0.5318 0.0402 0.1688 0.056 Uiso 1 1 calc R
H14C H 0.4479 0.1087 0.1107 0.056 Uiso 1 1 calc R
C5 C 0.4424(10) 0.6461(11) 0.1769(8) 0.028(2) Uani 1 1 d .
H5A H 0.5328 0.7358 0.1966 0.043 Uiso 1 1 calc R
H5B H 0.3765 0.6263 0.0992 0.043 Uiso 1 1 calc R
H5C H 0.4627 0.5714 0.1767 0.043 Uiso 1 1 calc R
O2 O 0.0894(7) 0.5731(7) 0.3362(5) 0.0267(14) Uani 1 1 d .
C6 C 0.4749(9) 0.6720(10) 0.3878(8) 0.0208(13) Uani 1 1 d U
C11 C 0.6105(9) 0.4374(10) 0.3166(8) 0.0225(18) Uani 1 1 d .
C12 C 0.6551(9) 0.3936(9) 0.2138(8) 0.0219(18) Uani 1 1 d .
H12A H 0.7486 0.4745 0.2202 0.026 Uiso 1 1 calc R
H12B H 0.5823 0.3744 0.1391 0.026 Uiso 1 1 calc R
C25 C 0.2404(11) 0.3124(10) 0.9579(8) 0.029(2) Uani 1 1 d .
H25A H 0.2574 0.3022 1.0364 0.044 Uiso 1 1 calc R
H25B H 0.195 0.3674 0.9501 0.044 Uiso 1 1 calc R
H25C H 0.3326 0.3604 0.9455 0.044 Uiso 1 1 calc R
C4 C 0.3541(11) 0.7843(10) 0.2803(9) 0.031(2) Uani 1 1 d .
H4A H 0.4484 0.8687 0.2969 0.046 Uiso 1 1 calc R
H4B H 0.3182 0.7951 0.3438 0.046 Uiso 1 1 calc R
H4C H 0.2857 0.7706 0.2065 0.046 Uiso 1 1 calc R
C23 C 0.1371(10) 0.1624(10) 0.8635(8) 0.026(2) Uani 1 1 d .
C3 C 0.3701(9) 0.6538(10) 0.2703(8) 0.0219(13) Uani 1 1 d U
C24 C 0.2001(10) 0.0706(10) 0.8832(8) 0.0255(19) Uani 1 1 d .
H24A H 0.2948 0.1134 0.8744 0.038 Uiso 1 1 calc R
H24B H 0.1349 -0.0228 0.8257 0.038 Uiso 1 1 calc R
H24C H 0.211 0.0623 0.9622 0.038 Uiso 1 1 calc R
C15 C 0.7307(12) 0.2455(11) 0.1082(8) 0.032(2) Uani 1 1 d .
H15A H 0.7521 0.1715 0.1084 0.049 Uiso 1 1 calc R
H15B H 0.8193 0.3344 0.1215 0.049 Uiso 1 1 calc R
H15C H 0.6586 0.2211 0.0325 0.049 Uiso 1 1 calc R
C26 C 0.1156(9) 0.1814(9) 0.7400(8) 0.0224(18) Uani 1 1 d .
O1 O 0.1257(6) 0.4004(6) 0.3738(5) 0.0213(12) Uani 1 1 d .
C16 C 0.7816(9) 0.2821(10) 0.3238(8) 0.0234(19) Uani 1 1 d .
C21 C -0.1294(9) -0.0474(9) 0.7883(7) 0.0205(18) Uani 1 1 d .
C22 C -0.0181(9) 0.0983(9) 0.8787(8) 0.0231(18) Uani 1 1 d .
H22A H -0.0078 0.0904 0.9587 0.028 Uiso 1 1 calc R
H22B H -0.0531 0.1624 0.8689 0.028 Uiso 1 1 calc R
C1 C 0.1374(10) 0.4943(10) 0.3217(8) 0.0234(18) Uani 1 1 d .
O13 O 0.8515(6) 0.4030(6) 0.4080(5) 0.0217(13) Uani 1 1 d .
O21 O -0.2106(7) -0.0544(7) 0.6894(6) 0.0258(13) Uani 1 1 d .
O3 O 0.4410(6) 0.5662(7) 0.4285(6) 0.0241(13) Uani 1 1 d .
O4 O 0.5962(7) 0.7868(7) 0.4403(6) 0.0283(14) Uani 1 1 d .
O14 O 0.8072(7) 0.1866(7) 0.3337(6) 0.0262(14) Uani 1 1 d .
O12 O 0.7039(7) 0.5581(6) 0.3954(5) 0.0237(13) Uani 1 1 d .
C2 C 0.2184(9) 0.5126(10) 0.2303(8) 0.0220(18) Uani 1 1 d .
H2A H 0.2325 0.4332 0.2139 0.026 Uiso 1 1 calc R
H2B H 0.1551 0.507 0.1562 0.026 Uiso 1 1 calc R
C13 C 0.6706(11) 0.2606(10) 0.2071(8) 0.0258(19) Uani 1 1 d .
O1W O 0.0839(7) 0.1618(6) 0.4670(5) 0.0228(13) Uani 1 1 d D
O2W O -0.1936(7) 0.1003(7) 0.5342(6) 0.0269(14) Uani 1 1 d D
H1WA H 0.029(10) 0.081(5) 0.414(6) 0.04 Uiso 1 1 d D
H1WB H 0.104(11) 0.153(10) 0.537(3) 0.04 Uiso 1 1 d D
H2WA H -0.253(10) 0.035(7) 0.468(4) 0.04 Uiso 1 1 d D
H2WB H -0.190(11) 0.063(9) 0.590(6) 0.04 Uiso 1 1 d D
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -8.838 11.9157 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ce Ce -1.8482 9.6596 '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
O2 Ce1 O13 71.2(2) 2_566 2_666
O2 Ce1 O24 80.5(2) 2_566 .
O13 Ce1 O24 108.6(2) 2_666 .
O2 Ce1 O2W 81.9(2) 2_566 .
O13 Ce1 O2W 152.8(2) 2_666 .
O24 Ce1 O2W 69.1(2) . .
O2 Ce1 O1W 153.2(2) 2_566 .
O13 Ce1 O1W 130.02(19) 2_666 .
O24 Ce1 O1W 76.96(19) . .
O2W Ce1 O1W 76.8(2) . .
O2 Ce1 O13 72.4(2) 2_566 1_455
O13 Ce1 O13 72.4(2) 2_666 1_455
O24 Ce1 O13 151.03(19) . 1_455
O2W Ce1 O13 96.6(2) . 1_455
O1W Ce1 O13 125.64(19) . 1_455
O2 Ce1 O14 106.5(2) 2_566 1_455
O13 Ce1 O14 118.7(2) 2_666 1_455
O24 Ce1 O14 132.0(2) . 1_455
O2W Ce1 O14 65.3(2) . 1_455
O1W Ce1 O14 78.9(2) . 1_455
O13 Ce1 O14 51.04(19) 1_455 1_455
O2 Ce1 O12 121.2(2) 2_566 2_666
O13 Ce1 O12 69.38(19) 2_666 2_666
O24 Ce1 O12 72.99(19) . 2_666
O2W Ce1 O12 131.0(2) . 2_666
O1W Ce1 O12 65.1(2) . 2_666
O13 Ce1 O12 130.31(19) 1_455 2_666
O14 Ce1 O12 130.26(19) 1_455 2_666
O2 Ce1 O1 137.67(19) 2_566 .
O13 Ce1 O1 73.76(19) 2_666 .
O24 Ce1 O1 133.78(19) . .
O2W Ce1 O1 128.4(2) . .
O1W Ce1 O1 69.08(18) . .
O13 Ce1 O1 74.99(18) 1_455 .
O14 Ce1 O1 71.01(19) 1_455 .
O12 Ce1 O1 64.79(18) 2_666 .
O2 Ce1 C16 90.2(2) 2_566 1_455
O13 Ce1 C16 96.0(2) 2_666 1_455
O24 Ce1 C16 148.9(2) . 1_455
O2W Ce1 C16 80.3(2) . 1_455
O1W Ce1 C16 101.7(2) . 1_455
O13 Ce1 C16 26.2(2) 1_455 1_455
O14 Ce1 C16 24.9(2) 1_455 1_455
O12 Ce1 C16 135.3(2) 2_666 1_455
O1 Ce1 C16 70.6(2) . 1_455
O11 Ce2 O3 72.2(2) . .
O11 Ce2 O21 82.3(2) . 2_556
O3 Ce2 O21 152.5(2) . 2_556
O11 Ce2 O22 78.5(2) . 2_556
O3 Ce2 O22 111.7(2) . 2_556
O21 Ce2 O22 51.6(2) 2_556 2_556
O11 Ce2 O1W 155.4(2) . .
O3 Ce2 O1W 132.0(2) . .
O21 Ce2 O1W 73.1(2) 2_556 .
O22 Ce2 O1W 86.1(2) 2_556 .
O11 Ce2 O3 71.9(2) . 2_666
O3 Ce2 O3 71.0(2) . 2_666
O21 Ce2 O3 110.9(2) 2_556 2_666
O22 Ce2 O3 147.9(2) 2_556 2_666
O1W Ce2 O3 116.63(19) . 2_666
O11 Ce2 O4 95.2(2) . 2_666
O3 Ce2 O4 121.1(2) . 2_666
O21 Ce2 O4 70.3(2) 2_556 2_666
O22 Ce2 O4 121.9(2) 2_556 2_666
O1W Ce2 O4 76.7(2) . 2_666
O3 Ce2 O4 50.77(19) 2_666 2_666
O11 Ce2 O1 124.8(2) . .
O3 Ce2 O1 70.59(19) . .
O21 Ce2 O1 119.0(2) 2_556 .
O22 Ce2 O1 79.1(2) 2_556 .
O1W Ce2 O1 69.79(19) . .
O3 Ce2 O1 128.5(2) 2_666 .
O4 Ce2 O1 139.1(2) 2_666 .
O11 Ce2 O12 137.3(2) . 2_666
O3 Ce2 O12 74.7(2) . 2_666
O21 Ce2 O12 132.69(19) 2_556 2_666
O22 Ce2 O12 139.7(2) 2_556 2_666
O1W Ce2 O12 64.81(19) . 2_666
O3 Ce2 O12 72.4(2) 2_666 2_666
O4 Ce2 O12 79.6(2) 2_666 2_666
O1 Ce2 O12 65.39(19) . 2_666
O11 Ce2 C21 81.2(2) . 2_556
O3 Ce2 C21 135.2(2) . 2_556
O21 Ce2 C21 26.0(2) 2_556 2_556
O22 Ce2 C21 25.8(2) 2_556 2_556
O1W Ce2 C21 76.7(2) . 2_556
O3 Ce2 C21 133.3(2) 2_666 2_556
O4 Ce2 C21 96.2(2) 2_666 2_556
O1 Ce2 C21 98.2(2) . 2_556
O12 Ce2 C21 141.3(2) 2_666 2_556
O11 Ce2 C6 84.6(2) . 2_666
O3 Ce2 C6 96.1(2) . 2_666
O21 Ce2 C6 91.4(2) 2_556 2_666
O22 Ce2 C6 140.7(2) 2_556 2_666
O1W Ce2 C6 95.7(2) . 2_666
O3 Ce2 C6 25.7(2) 2_666 2_666
O4 Ce2 C6 25.2(2) 2_666 2_666
O1 Ce2 C6 138.2(2) . 2_666
O12 Ce2 C6 73.0(2) 2_666 2_666
C21 Ce2 C6 116.9(3) 2_556 2_666
C11 O11 Ce2 145.1(6) . .
C26 O24 Ce1 135.4(6) . .
C21 O22 Ce2 93.6(5) . 2_556
C1 O2 Ce1 145.5(6) . 2_566
O4 C6 O3 120.4(8) . .
O4 C6 C3 120.4(8) . .
O3 C6 C3 119.1(8) . .
O4 C6 Ce2 60.4(4) . 2_666
O3 C6 Ce2 60.3(4) . 2_666
C3 C6 Ce2 170.7(6) . 2_666
O11 C11 O12 125.8(8) . .
O11 C11 C12 116.7(8) . .
O12 C11 C12 117.5(7) . .
C11 C12 C13 116.4(7) . .
C24 C23 C26 113.3(8) . .
C24 C23 C25 109.7(8) . .
C26 C23 C25 108.4(7) . .
C24 C23 C22 111.8(7) . .
C26 C23 C22 106.8(7) . .
C25 C23 C22 106.6(8) . .
C6 C3 C4 110.1(8) . .
C6 C3 C5 106.0(7) . .
C4 C3 C5 109.1(7) . .
C6 C3 C2 111.6(7) . .
C4 C3 C2 111.6(7) . .
C5 C3 C2 108.3(7) . .
O24 C26 O23 123.7(8) . .
O24 C26 C23 119.2(8) . .
O23 C26 C23 117.1(8) . .
C1 O1 Ce2 124.4(5) . .
C1 O1 Ce1 130.2(5) . .
Ce2 O1 Ce1 100.6(2) . .
O14 C16 O13 121.5(8) . .
O14 C16 C13 119.5(9) . .
O13 C16 C13 118.9(8) . .
O14 C16 Ce1 61.2(5) . 1_655
O13 C16 Ce1 60.4(4) . 1_655
C13 C16 Ce1 175.4(6) . 1_655
O22 C21 O21 119.7(8) . .
O22 C21 C22 121.9(8) . .
O21 C21 C22 118.2(8) . .
O22 C21 Ce2 60.6(4) . 2_556
O21 C21 Ce2 59.6(4) . 2_556
C22 C21 Ce2 169.2(6) . 2_556
C21 C22 C23 111.1(7) . .
O2 C1 O1 125.9(8) . .
O2 C1 C2 116.0(8) . .
O1 C1 C2 118.1(8) . .
C16 O13 Ce1 146.7(5) . 2_666
C16 O13 Ce1 93.5(5) . 1_655
Ce1 O13 Ce1 107.6(2) 2_666 1_655
C21 O21 Ce2 94.5(5) . 2_556
C6 O3 Ce2 153.5(6) . .
C6 O3 Ce2 94.0(5) . 2_666
Ce2 O3 Ce2 109.0(2) . 2_666
C6 O4 Ce2 94.5(5) . 2_666
C16 O14 Ce1 93.9(6) . 1_655
C11 O12 Ce1 121.9(5) . 2_666
C11 O12 Ce2 131.6(5) . 2_666
Ce1 O12 Ce2 99.7(2) 2_666 2_666
C3 C2 C1 115.3(7) . .
C15 C13 C16 107.4(8) . .
C15 C13 C14 109.9(8) . .
C16 C13 C14 108.6(8) . .
C15 C13 C12 107.8(7) . .
C16 C13 C12 111.1(8) . .
C14 C13 C12 112.0(8) . .
Ce1 O1W Ce2 103.5(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ce1 O2 2.441(6) 2_566
Ce1 O13 2.445(6) 2_666
Ce1 O24 2.456(6) .
Ce1 O2W 2.510(6) .
Ce1 O1W 2.537(6) .
Ce1 O13 2.558(6) 1_455
Ce1 O14 2.579(7) 1_455
Ce1 O12 2.607(6) 2_666
Ce1 O1 2.624(6) .
Ce1 C16 2.937(9) 1_455
Ce2 O11 2.422(6) .
Ce2 O3 2.435(6) .
Ce2 O21 2.522(6) 2_556
Ce2 O22 2.546(7) 2_556
Ce2 O1W 2.548(6) .
Ce2 O3 2.551(6) 2_666
Ce2 O4 2.554(7) 2_666
Ce2 O1 2.568(6) .
Ce2 O12 2.620(6) 2_666
Ce2 C21 2.916(9) 2_556
Ce2 C6 2.929(8) 2_666
O11 C11 1.245(10) .
O23 C26 1.293(11) .
O24 C26 1.245(11) .
O22 C21 1.270(11) .
O22 Ce2 2.546(7) 2_556
C14 C13 1.561(13) .
C5 C3 1.544(11) .
O2 C1 1.234(11) .
O2 Ce1 2.441(6) 2_566
C6 O4 1.249(11) .
C6 O3 1.274(11) .
C6 C3 1.520(12) .
C6 Ce2 2.929(8) 2_666
C11 O12 1.272(11) .
C11 C12 1.538(12) .
C12 C13 1.565(12) .
C25 C23 1.551(13) .
C4 C3 1.538(13) .
C23 C24 1.503(13) .
C23 C26 1.521(12) .
C23 C22 1.579(12) .
C3 C2 1.548(12) .
C15 C13 1.523(12) .
O1 C1 1.273(11) .
C16 O14 1.239(11) .
C16 O13 1.297(11) .
C16 C13 1.534(12) .
C16 Ce1 2.937(9) 1_655
C21 O21 1.280(10) .
C21 C22 1.512(12) .
C21 Ce2 2.916(8) 2_556
C1 C2 1.556(11) .
O13 Ce1 2.445(6) 2_666
O13 Ce1 2.558(6) 1_655
O21 Ce2 2.522(6) 2_556
O3 Ce2 2.551(6) 2_666
O4 Ce2 2.554(7) 2_666
O14 Ce1 2.579(7) 1_655
O12 Ce1 2.607(6) 2_666
O12 Ce2 2.620(6) 2_666
