#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:57:53 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179997 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/91/7029156.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_7029156
loop_
_publ_author_name
'Wang, Shu-Ju'
'Tian, Yan-Wen'
'You, Li-Xin'
'Ding, Fu'
'Meert, Katrien W.'
'Poelman, Dirk'
'Smet, Philippe F.'
'Ren, Bao-Yi'
'Sun, Ya-Guang'
_publ_section_title
;
 Solvent-regulated assemblies of 1D lanthanide coordination polymers with
 the tricarboxylate ligand.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3462
_journal_page_last               3470
_journal_paper_doi               10.1039/c3dt52839a
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C15 H19 Nd O12.75'
_chemical_formula_weight         547.54
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 115.12(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.270(5)
_cell_length_b                   7.6022(15)
_cell_length_c                   21.167(4)
_cell_measurement_reflns_used    3449
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.01
_cell_measurement_theta_min      3.07
_cell_volume                     3973.1(16)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_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  0.1008
_diffrn_reflns_av_unetI/netI     0.0752
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            14063
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         3.07
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.678
_exptl_absorpt_correction_T_max  0.6165
_exptl_absorpt_correction_T_min  0.5541
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.831
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2168
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.474
_refine_diff_density_min         -2.003
_refine_diff_density_rms         0.202
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     275
_refine_ls_number_reflns         3449
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.090
_refine_ls_R_factor_all          0.0711
_refine_ls_R_factor_gt           0.0589
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0614P)²+48.1206P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1395
_refine_ls_wR_factor_ref         0.1522
_reflns_number_gt                2930
_reflns_number_total             3449
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt52839a.txt
_cod_data_source_block           shelxl
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/usr/data/users/saulius/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        3973.1(13)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7029156
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Nd1 Nd 0.073912(15) 0.20470(6) -0.11840(2) 0.02627(19) Uani 1 1 d .
O3 O 0.0683(2) 0.0175(8) -0.0237(3) 0.0392(14) Uani 1 1 d .
O4 O 0.3833(3) -0.1941(9) 0.1975(3) 0.0474(17) Uani 1 1 d .
O5 O 0.4457(2) -0.1937(9) 0.3065(4) 0.0486(18) Uani 1 1 d .
O6 O 0.0497(3) 0.3839(8) -0.0359(3) 0.0418(15) Uani 1 1 d .
H6A H 0.0311 0.3203 -0.0190 0.063 Uiso 1 1 d R
H6B H 0.0356 0.4860 -0.0439 0.063 Uiso 1 1 d R
O9 O 0.0370(3) 0.4984(9) -0.1713(4) 0.0513(18) Uani 1 1 d D
H9A H 0.0107 0.5683 -0.1803 0.077 Uiso 1 1 d RD
H9B H 0.0625 0.5503 -0.1769 0.077 Uiso 1 1 d RD
O12 O 0.1472(2) 0.1439(9) 0.0052(3) 0.0401(15) Uani 1 1 d .
O13 O 0.0204(2) -0.1760(10) 0.1671(3) 0.0489(18) Uani 1 1 d .
O15 O 0.0828(3) -0.2175(9) 0.2726(3) 0.0439(16) Uani 1 1 d .
O21 O 0.1500(2) 0.4174(9) -0.0978(3) 0.0494(17) Uani 1 1 d .
H21A H 0.1762 0.3635 -0.1007 0.074 Uiso 1 1 d R
H21B H 0.1394 0.5001 -0.1277 0.074 Uiso 1 1 d R
O28 O 0.0430(4) -0.0896(11) -0.1745(5) 0.079(3) Uani 1 1 d .
H28A H 0.0160 -0.1270 -0.1670 0.118 Uiso 1 1 d R
H28B H 0.0691 -0.1647 -0.1574 0.118 Uiso 1 1 d R
C1 C 0.3021(3) -0.1063(11) 0.2400(4) 0.0328(18) Uani 1 1 d .
H1 H 0.2921 -0.1376 0.1937 0.039 Uiso 1 1 calc R
C10 C 0.1871(3) -0.0044(11) 0.1424(4) 0.0300(17) Uani 1 1 d .
H10 H 0.2126 0.0360 0.1274 0.036 Uiso 1 1 calc R
C11 C 0.2620(3) -0.0577(10) 0.2614(4) 0.0284(17) Uani 1 1 d .
C14 C 0.1647(3) -0.1170(11) 0.2326(4) 0.0286(17) Uani 1 1 d .
H14 H 0.1750 -0.1553 0.2782 0.034 Uiso 1 1 calc R
C16 C 0.3982(4) -0.1697(11) 0.2623(5) 0.036(2) Uani 1 1 d .
C17 C 0.3319(3) -0.0036(13) 0.3760(4) 0.044(2) Uani 1 1 d .
H17 H 0.3418 0.0324 0.4218 0.053 Uiso 1 1 calc R
C18 C 0.2042(3) -0.0590(10) 0.2117(4) 0.0267(16) Uani 1 1 d .
C19 C 0.1331(3) -0.0092(11) 0.0957(4) 0.0277(17) Uani 1 1 d .
C20 C 0.1152(3) 0.0554(11) 0.0216(4) 0.0322(18) Uani 1 1 d .
C23 C 0.2779(3) -0.0058(13) 0.3292(4) 0.040(2) Uani 1 1 d .
H23 H 0.2518 0.0287 0.3441 0.048 Uiso 1 1 calc R
C25 C 0.0946(3) -0.0680(11) 0.1180(4) 0.0288(17) Uani 1 1 d .
H25 H 0.0583 -0.0735 0.0869 0.035 Uiso 1 1 calc R
C27 C 0.1110(3) -0.1182(11) 0.1869(4) 0.0270(16) Uani 1 1 d .
C30 C 0.3710(3) -0.0550(12) 0.3545(5) 0.038(2) Uani 1 1 d .
H30 H 0.4073 -0.0537 0.3859 0.045 Uiso 1 1 calc R
C31 C 0.3559(3) -0.1086(11) 0.2862(4) 0.0308(17) Uani 1 1 d .
C32 C 0.0682(3) -0.1756(10) 0.2109(4) 0.0304(18) Uani 1 1 d .
O26 O 0.1525(3) -0.0030(11) -0.1122(4) 0.073(2) Uani 1 1 d .
H26A H 0.1821 0.0544 -0.0968 0.110 Uiso 1 1 d R
H26B H 0.1455 -0.0415 -0.1529 0.110 Uiso 1 1 d R
O1 O 0.0037(3) 0.7218(9) 0.9516(4) 0.0444(16) Uani 1 1 d G
H1A H -0.0158 0.7204 0.9078 0.067 Uiso 1 1 d G
H1B H 0.0240 0.8121 0.9622 0.067 Uiso 1 1 d G
O2 O 0.2455(5) 0.236(2) 0.9358(8) 0.060(4) Uani 0.50 1 d P
O7 O 0.2311(18) 0.778(4) 0.0181(16) 0.086(13) Uani 0.25 1 d PU
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'
Nd Nd -0.1943 3.0179 '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
O13 Nd1 O15 96.9(2) 5 6
O13 Nd1 O28 67.8(3) 5 .
O15 Nd1 O28 74.6(2) 6 .
O13 Nd1 O9 74.3(2) 5 .
O15 Nd1 O9 73.9(2) 6 .
O28 Nd1 O9 126.3(3) . .
O13 Nd1 O6 78.0(2) 5 .
O15 Nd1 O6 143.3(2) 6 .
O28 Nd1 O6 132.7(2) . .
O9 Nd1 O6 69.8(2) . .
O13 Nd1 O3 82.6(2) 5 .
O15 Nd1 O3 147.8(2) 6 .
O28 Nd1 O3 75.6(2) . .
O9 Nd1 O3 135.3(2) . .
O6 Nd1 O3 68.3(2) . .
O13 Nd1 O21 143.8(2) 5 .
O15 Nd1 O21 74.4(2) 6 .
O28 Nd1 O21 137.9(3) . .
O9 Nd1 O21 69.5(2) . .
O6 Nd1 O21 88.3(2) . .
O3 Nd1 O21 123.33(19) . .
O13 Nd1 O12 131.7(2) 5 .
O15 Nd1 O12 128.9(2) 6 .
O28 Nd1 O12 106.4(3) . .
O9 Nd1 O12 127.3(2) . .
O6 Nd1 O12 73.2(2) . .
O3 Nd1 O12 51.07(18) . .
O21 Nd1 O12 73.2(2) . .
O13 Nd1 O26 133.5(3) 5 .
O15 Nd1 O26 70.2(2) 6 .
O28 Nd1 O26 65.7(3) . .
O9 Nd1 O26 136.3(2) . .
O6 Nd1 O26 137.9(2) . .
O3 Nd1 O26 86.8(2) . .
O21 Nd1 O26 77.4(3) . .
O12 Nd1 O26 64.8(2) . .
O13 Nd1 C20 106.8(2) 5 .
O15 Nd1 C20 146.3(2) 6 .
O28 Nd1 C20 92.4(3) . .
O9 Nd1 C20 135.1(2) . .
O6 Nd1 C20 66.9(2) . .
O3 Nd1 C20 25.6(2) . .
O21 Nd1 C20 98.0(2) . .
O12 Nd1 C20 25.6(2) . .
O26 Nd1 C20 76.1(2) . .
C20 O3 Nd1 95.2(5) . .
Nd1 O6 H6A 110.6 . .
Nd1 O6 H6B 125.9 . .
H6A O6 H6B 107.0 . .
Nd1 O9 H9A 143.0 . .
Nd1 O9 H9B 106.1 . .
H9A O9 H9B 110.0 . .
C20 O12 Nd1 92.6(5) . .
C32 O13 Nd1 160.2(6) . 5
C32 O15 Nd1 151.6(6) . 6_556
Nd1 O21 H21A 109.5 . .
Nd1 O21 H21B 110.5 . .
H21A O21 H21B 109.4 . .
Nd1 O28 H28A 110.4 . .
Nd1 O28 H28B 109.9 . .
H28A O28 H28B 108.7 . .
C31 C1 C11 121.2(8) . .
C31 C1 H1 119.4 . .
C11 C1 H1 119.4 . .
C19 C10 C18 121.5(7) . .
C19 C10 H10 119.3 . .
C18 C10 H10 119.3 . .
C23 C11 C1 118.3(7) . .
C23 C11 C18 120.9(7) . .
C1 C11 C18 120.8(7) . .
C27 C14 C18 120.9(7) . .
C27 C14 H14 119.6 . .
C18 C14 H14 119.6 . .
O5 C16 O4 123.0(8) . .
O5 C16 C31 119.2(8) . .
O4 C16 C31 117.7(8) . .
C30 C17 C23 119.8(8) . .
C30 C17 H17 120.1 . .
C23 C17 H17 120.1 . .
C14 C18 C10 117.8(7) . .
C14 C18 C11 120.6(7) . .
C10 C18 C11 121.6(7) . .
C10 C19 C25 119.5(7) . .
C10 C19 C20 120.6(7) . .
C25 C19 C20 119.9(7) . .
O12 C20 O3 120.6(7) . .
O12 C20 C19 120.1(7) . .
O3 C20 C19 119.3(7) . .
O12 C20 Nd1 61.8(4) . .
O3 C20 Nd1 59.2(4) . .
C19 C20 Nd1 174.3(5) . .
C11 C23 C17 121.3(8) . .
C11 C23 H23 119.3 . .
C17 C23 H23 119.3 . .
C27 C25 C19 119.5(7) . .
C27 C25 H25 120.2 . .
C19 C25 H25 120.2 . .
C14 C27 C25 120.9(7) . .
C14 C27 C32 120.5(7) . .
C25 C27 C32 118.7(7) . .
C17 C30 C31 119.9(7) . .
C17 C30 H30 120.1 . .
C31 C30 H30 120.1 . .
C1 C31 C30 119.4(7) . .
C1 C31 C16 120.1(8) . .
C30 C31 C16 120.5(7) . .
O15 C32 O13 123.8(8) . .
O15 C32 C27 118.6(7) . .
O13 C32 C27 117.7(7) . .
Nd1 O26 H26A 109.5 . .
Nd1 O26 H26B 109.2 . .
H26A O26 H26B 109.4 . .
H1A O1 H1B 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nd1 O13 2.339(6) 5
Nd1 O15 2.421(6) 6
Nd1 O28 2.505(8) .
Nd1 O9 2.509(6) .
Nd1 O6 2.514(5) .
Nd1 O3 2.516(5) .
Nd1 O21 2.517(6) .
Nd1 O12 2.572(6) .
Nd1 O26 2.619(7) .
Nd1 C20 2.916(8) .
O3 C20 1.263(10) .
O4 C16 1.267(11) .
O5 C16 1.247(11) .
O6 H6A 0.8789 .
O6 H6B 0.8503 .
O9 H9A 0.8476 .
O9 H9B 0.8504 .
O12 C20 1.262(10) .
O13 C32 1.238(10) .
O13 Nd1 2.339(6) 5
O15 C32 1.236(10) .
O15 Nd1 2.421(6) 6_556
O21 H21A 0.8499 .
O21 H21B 0.8517 .
O28 H28A 0.8647 .
O28 H28B 0.8632 .
C1 C31 1.376(11) .
C1 C11 1.397(11) .
C1 H1 0.9300 .
C10 C19 1.382(10) .
C10 C18 1.400(11) .
C10 H10 0.9300 .
C11 C23 1.371(11) .
C11 C18 1.479(10) .
C14 C27 1.370(10) .
C14 C18 1.399(10) .
C14 H14 0.9300 .
C16 C31 1.517(11) .
C17 C30 1.381(12) .
C17 C23 1.382(12) .
C17 H17 0.9300 .
C19 C25 1.393(10) .
C19 C20 1.513(10) .
C23 H23 0.9300 .
C25 C27 1.384(10) .
C25 H25 0.9300 .
C27 C32 1.523(10) .
C30 C31 1.388(12) .
C30 H30 0.9300 .
O26 H26A 0.8526 .
O26 H26B 0.8520 .
O1 H1A 0.8503 .
O1 H1B 0.8500 .
O7 O7 1.58(6) 7_565
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
O13 Nd1 O3 C20 -161.5(5) 5
O15 Nd1 O3 C20 107.4(6) 6
O28 Nd1 O3 C20 129.6(6) .
O9 Nd1 O3 C20 -102.9(5) .
O6 Nd1 O3 C20 -81.5(5) .
O21 Nd1 O3 C20 -8.9(6) .
O12 Nd1 O3 C20 4.0(5) .
O26 Nd1 O3 C20 63.8(5) .
O13 Nd1 O12 C20 15.4(6) 5
O15 Nd1 O12 C20 -142.3(5) 6
O28 Nd1 O12 C20 -59.2(5) .
O9 Nd1 O12 C20 118.2(5) .
O6 Nd1 O12 C20 71.4(5) .
O3 Nd1 O12 C20 -4.0(5) .
O21 Nd1 O12 C20 164.8(6) .
O26 Nd1 O12 C20 -111.5(6) .
C31 C1 C11 C23 2.4(13) .
C31 C1 C11 C18 -178.8(8) .
C27 C14 C18 C10 -0.7(12) .
C27 C14 C18 C11 179.9(8) .
C19 C10 C18 C14 -0.8(12) .
C19 C10 C18 C11 178.6(8) .
C23 C11 C18 C14 -40.6(12) .
C1 C11 C18 C14 140.6(8) .
C23 C11 C18 C10 140.0(8) .
C1 C11 C18 C10 -38.8(12) .
C18 C10 C19 C25 0.6(12) .
C18 C10 C19 C20 178.2(7) .
Nd1 O12 C20 O3 7.2(8) .
Nd1 O12 C20 C19 -173.9(7) .
Nd1 O3 C20 O12 -7.4(9) .
Nd1 O3 C20 C19 173.7(6) .
C10 C19 C20 O12 -13.3(12) .
C25 C19 C20 O12 164.3(8) .
C10 C19 C20 O3 165.6(8) .
C25 C19 C20 O3 -16.8(12) .
C10 C19 C20 Nd1 -121(6) .
C25 C19 C20 Nd1 56(6) .
O13 Nd1 C20 O12 -168.1(5) 5
O15 Nd1 C20 O12 59.2(7) 6
O28 Nd1 C20 O12 124.4(5) .
O9 Nd1 C20 O12 -83.7(6) .
O6 Nd1 C20 O12 -99.4(5) .
O3 Nd1 C20 O12 172.8(8) .
O21 Nd1 C20 O12 -14.7(5) .
O26 Nd1 C20 O12 60.2(5) .
O13 Nd1 C20 O3 19.2(6) 5
O15 Nd1 C20 O3 -113.6(6) 6
O28 Nd1 C20 O3 -48.3(5) .
O9 Nd1 C20 O3 103.6(5) .
O6 Nd1 C20 O3 87.8(5) .
O21 Nd1 C20 O3 172.5(5) .
O12 Nd1 C20 O3 -172.8(8) .
O26 Nd1 C20 O3 -112.6(5) .
O13 Nd1 C20 C19 -57(6) 5
O15 Nd1 C20 C19 170(6) 6
O28 Nd1 C20 C19 -125(6) .
O9 Nd1 C20 C19 27(6) .
O6 Nd1 C20 C19 11(6) .
O3 Nd1 C20 C19 -76(6) .
O21 Nd1 C20 C19 96(6) .
O12 Nd1 C20 C19 111(6) .
O26 Nd1 C20 C19 171(6) .
C1 C11 C23 C17 -1.0(14) .
C18 C11 C23 C17 -179.8(9) .
C30 C17 C23 C11 -0.2(15) .
C10 C19 C25 C27 1.0(12) .
C20 C19 C25 C27 -176.6(7) .
C18 C14 C27 C25 2.4(13) .
C18 C14 C27 C32 -177.9(7) .
C19 C25 C27 C14 -2.5(12) .
C19 C25 C27 C32 177.8(7) .
C23 C17 C30 C31 0.0(15) .
C11 C1 C31 C30 -2.6(13) .
C11 C1 C31 C16 177.3(7) .
C17 C30 C31 C1 1.4(13) .
C17 C30 C31 C16 -178.5(8) .
O5 C16 C31 C1 -170.4(8) .
O4 C16 C31 C1 9.5(12) .
O5 C16 C31 C30 9.5(12) .
O4 C16 C31 C30 -170.6(8) .
Nd1 O15 C32 O13 -46.0(17) 6_556
Nd1 O15 C32 C27 133.3(10) 6_556
Nd1 O13 C32 O15 2(3) 5
Nd1 O13 C32 C27 -176.9(15) 5
C14 C27 C32 O15 1.4(12) .
C25 C27 C32 O15 -178.8(8) .
C14 C27 C32 O13 -179.2(8) .
C25 C27 C32 O13 0.6(12) .
