#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:49:57 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179426 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/23/4332338.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4332338
loop_
_publ_author_name
'Li, Yan'
'Zheng, Fa-Kun'
'Liu, Xi'
'Zou, Wen-Qiang'
Guo,
'Lu, Can-Zhong'
'Huang, Jin-Shun'
_publ_section_title
;
 Crystal Structures and Magnetic and Luminescent Properties of a Series of
 Homodinuclear Lanthanide Complexes with 4-Cyanobenzoic Ligand
;
_journal_issue                   16
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6308
_journal_page_last               6316
_journal_paper_doi               10.1021/ic0602603
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         '[Nd2(4-cba)6(phen)2(H2O)2]'
_chemical_formula_sum            'C72 H44 N10 Nd2 O14'
_chemical_formula_weight         1561.65
_chemical_name_common            '[Nd2(4-cba)6(phen)2(H2O)2]'
_chemical_name_systematic        '[Nd2(4-cba)6(phen)2(H2O)2]'
_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                97.527(4)
_cell_angle_beta                 102.014(7)
_cell_angle_gamma                99.572(6)
_cell_formula_units_Z            1
_cell_length_a                   8.297(5)
_cell_length_b                   12.813(7)
_cell_length_c                   16.426(9)
_cell_measurement_reflns_used    4449
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      3.1243
_cell_volume                     1659.2(16)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2002)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Siemens SHELXTLTM 5'
_computing_structure_refinement  'Siemens SHELXTLTM 5'
_computing_structure_solution    'Siemens SHELXTLTM 5'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0312
_diffrn_reflns_av_sigmaI/netI    0.0525
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10594
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         3.17
_exptl_absorpt_coefficient_mu    1.622
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8757
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sphere (Rigaku CrystalClear)'
_exptl_crystal_colour            'pale purple'
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             778
_exptl_crystal_size_max          0.2500
_exptl_crystal_size_mid          0.1500
_exptl_crystal_size_min          0.1000
_refine_diff_density_max         0.327
_refine_diff_density_min         -0.248
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     450
_refine_ls_number_reflns         5809
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0390
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0511P)²+0.3168P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0907
_refine_ls_wR_factor_ref         0.0964
_reflns_number_gt                5305
_reflns_number_total             5809
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0602603sup3.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1659.1(16)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4332338
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
Nd1 Nd 0.28207(3) 0.366897(17) 0.477057(13) 0.0387(7) Uani 1 1 d .
O1W O -0.0024(4) 0.3701(3) 0.4966(2) 0.0498(10) Uani 1 1 d D
H1WA H -0.050(5) 0.414(3) 0.533(2) 0.050 Uiso 1 1 d D
H1WB H -0.087(4) 0.353(4) 0.4446(16) 0.050 Uiso 1 1 d D
O11 O 0.0844(4) 0.2784(3) 0.3469(2) 0.0566(11) Uani 1 1 d .
O12 O -0.1791(5) 0.2967(4) 0.3420(2) 0.0723(13) Uani 1 1 d .
O21 O 0.2172(4) 0.5292(2) 0.42647(19) 0.0461(10) Uani 1 1 d .
O22 O 0.4490(4) 0.6524(2) 0.44120(19) 0.0490(10) Uani 1 1 d .
O31 O 0.3061(4) 0.4643(3) 0.61987(19) 0.0543(11) Uani 1 1 d .
O32 O 0.5257(4) 0.5788(3) 0.60641(19) 0.0493(10) Uani 1 1 d .
N1 N 0.3411(5) 0.1767(3) 0.4242(2) 0.0548(12) Uani 1 1 d .
N2 N 0.2142(5) 0.2114(3) 0.5638(2) 0.0531(12) Uani 1 1 d .
N11 N -0.3062(12) 0.0071(10) -0.1001(5) 0.216(6) Uani 1 1 d .
N21 N 0.0859(9) 0.6470(7) -0.0162(4) 0.141(3) Uani 1 1 d .
N31 N 0.6785(10) 0.6996(7) 1.0802(4) 0.135(3) Uani 1 1 d .
C1 C 0.4015(8) 0.1581(5) 0.3554(3) 0.0670(16) Uani 1 1 d .
H1A H 0.4383 0.2167 0.3315 0.080 Uiso 1 1 calc R
C2 C 0.4130(9) 0.0572(6) 0.3174(4) 0.088(2) Uani 1 1 d .
H2A H 0.4529 0.0484 0.2686 0.105 Uiso 1 1 calc R
C3 C 0.3644(9) -0.0279(6) 0.3536(5) 0.091(2) Uani 1 1 d .
H3A H 0.3683 -0.0966 0.3287 0.110 Uiso 1 1 calc R
C4 C 0.3079(7) -0.0134(4) 0.4285(4) 0.0759(19) Uani 1 1 d .
C5 C 0.2580(9) -0.0994(5) 0.4727(6) 0.102(3) Uani 1 1 d .
H5A H 0.2636 -0.1690 0.4506 0.122 Uiso 1 1 calc R
C6 C 0.2036(9) -0.0832(5) 0.5446(6) 0.098(3) Uani 1 1 d .
H6A H 0.1734 -0.1402 0.5717 0.118 Uiso 1 1 calc R
C7 C 0.1937(7) 0.0233(5) 0.5778(5) 0.0766(19) Uani 1 1 d .
C8 C 0.1421(9) 0.0473(6) 0.6522(5) 0.097(2) Uani 1 1 d .
H8A H 0.1163 -0.0075 0.6821 0.117 Uiso 1 1 calc R
C9 C 0.1281(8) 0.1488(6) 0.6824(4) 0.086(2) Uani 1 1 d .
H9A H 0.0972 0.1644 0.7333 0.104 Uiso 1 1 calc R
C10 C 0.1620(7) 0.2288(5) 0.6343(4) 0.0699(17) Uani 1 1 d .
H10A H 0.1471 0.2975 0.6529 0.084 Uiso 1 1 calc R
C11 C 0.2335(6) 0.1105(4) 0.5358(3) 0.0571(15) Uani 1 1 d .
C12 C 0.2937(6) 0.0915(4) 0.4611(3) 0.0573(15) Uani 1 1 d .
C101 C -0.1227(6) 0.2033(4) 0.2211(3) 0.0532(13) Uani 1 1 d .
C102 C -0.2809(7) 0.2013(5) 0.1728(4) 0.0748(18) Uani 1 1 d .
H10B H -0.3554 0.2357 0.1959 0.090 Uiso 1 1 calc R
C103 C -0.3287(9) 0.1480(7) 0.0900(4) 0.096(2) Uani 1 1 d .
H10C H -0.4357 0.1463 0.0577 0.115 Uiso 1 1 calc R
C104 C -0.2207(10) 0.0987(7) 0.0560(4) 0.100(3) Uani 1 1 d .
C105 C -0.0639(9) 0.0946(6) 0.1053(4) 0.096(2) Uani 1 1 d .
H10D H 0.0074 0.0561 0.0831 0.115 Uiso 1 1 calc R
C106 C -0.0168(8) 0.1484(5) 0.1872(4) 0.0740(18) Uani 1 1 d .
H10E H 0.0886 0.1476 0.2202 0.089 Uiso 1 1 calc R
C107 C -0.0693(6) 0.2657(4) 0.3101(3) 0.0496(13) Uani 1 1 d .
C108 C -0.2683(11) 0.0475(9) -0.0322(5) 0.142(4) Uani 1 1 d .
C201 C 0.2521(5) 0.6158(4) 0.3102(3) 0.0457(12) Uani 1 1 d .
C202 C 0.3605(6) 0.6766(4) 0.2735(3) 0.0554(14) Uani 1 1 d .
H20A H 0.4657 0.7120 0.3061 0.066 Uiso 1 1 calc R
C203 C 0.3174(7) 0.6863(5) 0.1902(3) 0.0661(16) Uani 1 1 d .
H20B H 0.3921 0.7274 0.1662 0.079 Uiso 1 1 calc R
C204 C 0.1616(7) 0.6339(6) 0.1428(3) 0.0785(19) Uani 1 1 d .
C205 C 0.0497(8) 0.5730(7) 0.1783(4) 0.103(3) Uani 1 1 d .
H20C H -0.0558 0.5381 0.1457 0.124 Uiso 1 1 calc R
C206 C 0.0964(7) 0.5646(6) 0.2623(3) 0.0767(19) Uani 1 1 d .
H20D H 0.0218 0.5240 0.2867 0.092 Uiso 1 1 calc R
C207 C 0.3100(6) 0.5985(4) 0.3992(3) 0.0427(12) Uani 1 1 d .
C208 C 0.1173(9) 0.6398(8) 0.0536(4) 0.108(3) Uani 1 1 d .
C301 C 0.4894(6) 0.5707(4) 0.7446(3) 0.0444(12) Uani 1 1 d .
C302 C 0.3856(7) 0.5375(5) 0.7959(3) 0.0664(17) Uani 1 1 d .
H30A H 0.2812 0.4931 0.7718 0.080 Uiso 1 1 calc R
C303 C 0.4345(8) 0.5693(5) 0.8822(3) 0.0781(19) Uani 1 1 d .
H30B H 0.3631 0.5468 0.9160 0.094 Uiso 1 1 calc R
C304 C 0.5888(7) 0.6342(5) 0.9183(3) 0.0672(16) Uani 1 1 d .
C305 C 0.6958(7) 0.6648(5) 0.8684(3) 0.0716(17) Uani 1 1 d .
H30C H 0.8021 0.7067 0.8925 0.086 Uiso 1 1 calc R
C306 C 0.6438(6) 0.6327(4) 0.7820(3) 0.0587(15) Uani 1 1 d .
H30D H 0.7163 0.6540 0.7484 0.070 Uiso 1 1 calc R
C307 C 0.4355(5) 0.5366(3) 0.6503(3) 0.0421(12) Uani 1 1 d .
C308 C 0.6372(10) 0.6703(6) 1.0082(4) 0.096(2) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
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'
Nd Nd -0.1943 3.0179 '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
O32 Nd1 O11 87.51(12) 2_666 .
O32 Nd1 O22 76.21(11) 2_666 2_666
O11 Nd1 O22 137.54(11) . 2_666
O32 Nd1 O21 71.90(10) 2_666 .
O11 Nd1 O21 83.13(11) . .
O22 Nd1 O21 126.13(10) 2_666 .
O32 Nd1 O31 121.80(11) 2_666 .
O11 Nd1 O31 143.73(11) . .
O22 Nd1 O31 75.01(11) 2_666 .
O21 Nd1 O31 86.41(11) . .
O32 Nd1 O1W 143.62(11) 2_666 .
O11 Nd1 O1W 72.07(11) . .
O22 Nd1 O1W 138.42(11) 2_666 .
O21 Nd1 O1W 75.93(11) . .
O31 Nd1 O1W 71.71(11) . .
O32 Nd1 N1 81.44(13) 2_666 .
O11 Nd1 N1 68.32(12) . .
O22 Nd1 N1 70.60(11) 2_666 .
O21 Nd1 N1 141.61(12) . .
O31 Nd1 N1 131.67(12) . .
O1W Nd1 N1 116.11(12) . .
O32 Nd1 N2 138.87(12) 2_666 .
O11 Nd1 N2 95.60(12) . .
O22 Nd1 N2 74.11(12) 2_666 .
O21 Nd1 N2 149.23(12) . .
O31 Nd1 N2 76.52(13) . .
O1W Nd1 N2 74.48(12) . .
N1 Nd1 N2 62.21(14) . .
O32 Nd1 Nd1 47.41(8) 2_666 2_666
O11 Nd1 Nd1 130.21(9) . 2_666
O22 Nd1 Nd1 60.90(8) 2_666 2_666
O21 Nd1 Nd1 65.50(8) . 2_666
O31 Nd1 Nd1 74.39(8) . 2_666
O1W Nd1 Nd1 129.43(8) . 2_666
N1 Nd1 Nd1 114.44(10) . 2_666
N2 Nd1 Nd1 131.10(8) . 2_666
Nd1 O1W H1WA 135(3) . .
Nd1 O1W H1WB 113(3) . .
H1WA O1W H1WB 103(4) . .
C107 O11 Nd1 141.0(3) . .
C207 O21 Nd1 128.5(3) . .
C207 O22 Nd1 141.8(3) . 2_666
C307 O31 Nd1 116.4(3) . .
C307 O32 Nd1 170.4(3) . 2_666
C1 N1 C12 117.7(5) . .
C1 N1 Nd1 121.6(3) . .
C12 N1 Nd1 120.3(3) . .
C10 N2 C11 118.4(5) . .
C10 N2 Nd1 121.9(4) . .
C11 N2 Nd1 119.7(3) . .
N1 C1 C2 124.5(6) . .
N1 C1 H1A 117.8 . .
C2 C1 H1A 117.8 . .
C3 C2 C1 117.9(7) . .
C3 C2 H2A 121.1 . .
C1 C2 H2A 121.1 . .
C2 C3 C4 120.6(6) . .
C2 C3 H3A 119.7 . .
C4 C3 H3A 119.7 . .
C3 C4 C12 117.7(6) . .
C3 C4 C5 124.3(6) . .
C12 C4 C5 117.9(7) . .
C6 C5 C4 123.1(7) . .
C6 C5 H5A 118.5 . .
C4 C5 H5A 118.5 . .
C5 C6 C7 118.3(7) . .
C5 C6 H6A 120.8 . .
C7 C6 H6A 120.8 . .
C8 C7 C11 116.3(6) . .
C8 C7 C6 122.1(7) . .
C11 C7 C6 121.6(7) . .
C9 C8 C7 121.9(6) . .
C9 C8 H8A 119.0 . .
C7 C8 H8A 119.0 . .
C8 C9 C10 117.6(7) . .
C8 C9 H9A 121.2 . .
C10 C9 H9A 121.2 . .
N2 C10 C9 123.3(6) . .
N2 C10 H10A 118.4 . .
C9 C10 H10A 118.4 . .
N2 C11 C7 122.3(6) . .
N2 C11 C12 118.9(4) . .
C7 C11 C12 118.8(5) . .
N1 C12 C4 121.4(6) . .
N1 C12 C11 118.4(4) . .
C4 C12 C11 120.2(5) . .
C106 C101 C102 119.2(5) . .
C106 C101 C107 121.3(5) . .
C102 C101 C107 119.5(5) . .
C101 C102 C103 120.0(6) . .
C101 C102 H10B 120.0 . .
C103 C102 H10B 120.0 . .
C104 C103 C102 120.3(6) . .
C104 C103 H10C 119.9 . .
C102 C103 H10C 119.9 . .
C103 C104 C105 120.5(6) . .
C103 C104 C108 120.1(7) . .
C105 C104 C108 119.4(8) . .
C106 C105 C104 118.7(6) . .
C106 C105 H10D 120.6 . .
C104 C105 H10D 120.6 . .
C101 C106 C105 121.1(6) . .
C101 C106 H10E 119.5 . .
C105 C106 H10E 119.5 . .
O12 C107 O11 125.5(4) . .
O12 C107 C101 117.7(4) . .
O11 C107 C101 116.7(4) . .
N11 C108 C104 179.2(13) . .
C206 C201 C202 119.2(5) . .
C206 C201 C207 120.6(4) . .
C202 C201 C207 120.0(4) . .
C203 C202 C201 121.7(5) . .
C203 C202 H20A 119.2 . .
C201 C202 H20A 119.2 . .
C202 C203 C204 118.6(5) . .
C202 C203 H20B 120.7 . .
C204 C203 H20B 120.7 . .
C203 C204 C205 120.9(5) . .
C203 C204 C208 119.1(5) . .
C205 C204 C208 120.0(6) . .
C206 C205 C204 119.3(5) . .
C206 C205 H20C 120.4 . .
C204 C205 H20C 120.4 . .
C201 C206 C205 120.4(5) . .
C201 C206 H20D 119.8 . .
C205 C206 H20D 119.8 . .
O22 C207 O21 124.3(4) . .
O22 C207 C201 117.5(4) . .
O21 C207 C201 118.2(4) . .
N21 C208 C204 178.1(9) . .
C306 C301 C302 118.2(4) . .
C306 C301 C307 120.9(4) . .
C302 C301 C307 120.9(4) . .
C303 C302 C301 120.9(5) . .
C303 C302 H30A 119.6 . .
C301 C302 H30A 119.6 . .
C304 C303 C302 119.9(5) . .
C304 C303 H30B 120.0 . .
C302 C303 H30B 120.0 . .
C305 C304 C303 119.9(5) . .
C305 C304 C308 120.3(5) . .
C303 C304 C308 119.8(5) . .
C304 C305 C306 119.2(5) . .
C304 C305 H30C 120.4 . .
C306 C305 H30C 120.4 . .
C301 C306 C305 121.9(5) . .
C301 C306 H30D 119.1 . .
C305 C306 H30D 119.1 . .
O32 C307 O31 123.4(4) . .
O32 C307 C301 118.0(4) . .
O31 C307 C301 118.5(4) . .
N31 C308 C304 179.0(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nd1 O32 2.387(3) 2_666
Nd1 O11 2.415(3) .
Nd1 O22 2.422(3) 2_666
Nd1 O21 2.437(3) .
Nd1 O31 2.461(3) .
Nd1 O1W 2.454(3) .
Nd1 N1 2.636(4) .
Nd1 N2 2.649(4) .
Nd1 Nd1 4.4010(19) 2_666
O1W H1WA 0.955(10) .
O1W H1WB 0.957(10) .
O11 C107 1.266(6) .
O12 C107 1.236(6) .
O21 C207 1.266(5) .
O22 C207 1.250(5) .
O22 Nd1 2.422(3) 2_666
O31 C307 1.259(5) .
O32 C307 1.251(5) .
O32 Nd1 2.387(3) 2_666
N1 C1 1.337(7) .
N1 C12 1.359(7) .
N2 C10 1.325(7) .
N2 C11 1.361(7) .
N11 C108 1.122(9) .
N21 C208 1.142(8) .
N31 C308 1.153(8) .
C1 C2 1.387(8) .
C1 H1A 0.9300 .
C2 C3 1.352(10) .
C2 H2A 0.9300 .
C3 C4 1.405(10) .
C3 H3A 0.9300 .
C4 C12 1.413(7) .
C4 C5 1.447(10) .
C5 C6 1.354(11) .
C5 H5A 0.9300 .
C6 C7 1.423(9) .
C6 H6A 0.9300 .
C7 C8 1.390(10) .
C7 C11 1.416(7) .
C8 C9 1.362(11) .
C8 H8A 0.9300 .
C9 C10 1.401(8) .
C9 H9A 0.9300 .
C10 H10A 0.9300 .
C11 C12 1.426(8) .
C101 C106 1.374(8) .
C101 C102 1.379(7) .
C101 C107 1.509(6) .
C102 C103 1.384(8) .
C102 H10B 0.9300 .
C103 C104 1.349(10) .
C103 H10C 0.9300 .
C104 C105 1.395(10) .
C104 C108 1.453(9) .
C105 C106 1.373(8) .
C105 H10D 0.9300 .
C106 H10E 0.9300 .
C201 C206 1.370(7) .
C201 C202 1.377(6) .
C201 C207 1.498(6) .
C202 C203 1.367(7) .
C202 H20A 0.9300 .
C203 C204 1.372(8) .
C203 H20B 0.9300 .
C204 C205 1.383(8) .
C204 C208 1.450(8) .
C205 C206 1.378(8) .
C205 H20C 0.9300 .
C206 H20D 0.9300 .
C301 C306 1.362(6) .
C301 C302 1.381(6) .
C301 C307 1.503(6) .
C302 C303 1.377(7) .
C302 H30A 0.9300 .
C303 C304 1.372(8) .
C303 H30B 0.9300 .
C304 C305 1.373(8) .
C304 C308 1.438(8) .
C305 C306 1.378(7) .
C305 H30C 0.9300 .
C306 H30D 0.9300 .
