#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:49:57 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179426 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/23/4332339.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_4332339
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         '[Sm2(4-cba)6(phen)2(H2O)2]'
_chemical_formula_sum            'C72 H44 N10 O14 Sm2'
_chemical_formula_weight         1573.87
_chemical_name_common            '[Sm2(4-cba)6(phen)2(H2O)2]'
_chemical_name_systematic        '[Sm2(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                97.762(2)
_cell_angle_beta                 102.084(4)
_cell_angle_gamma                99.682(4)
_cell_formula_units_Z            1
_cell_length_a                   8.2827(8)
_cell_length_b                   12.8027(11)
_cell_length_c                   16.4241(15)
_cell_measurement_reflns_used    4150
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      3.1339
_cell_volume                     1652.4(3)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2002)'
_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 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0281
_diffrn_reflns_av_sigmaI/netI    0.0478
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            10601
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         3.14
_exptl_absorpt_coefficient_mu    1.834
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8685
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sphere (Rigaku CrystalClear)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.582
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             782
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.1800
_exptl_crystal_size_min          0.0800
_refine_diff_density_max         0.484
_refine_diff_density_min         -0.485
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     448
_refine_ls_number_reflns         5807
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0371
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0490P)²+1.1790P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0866
_refine_ls_wR_factor_ref         0.0919
_reflns_number_gt                5305
_reflns_number_total             5807
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0602603sup4.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_sg_symbol_H-M      P-1
_cod_database_code               4332339
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
Sm1 Sm -0.21934(3) -0.134024(17) -0.023286(13) 0.03111(9) Uani 1 1 d .
O1W O -0.5011(4) -0.1299(3) -0.0032(2) 0.0433(8) Uani 1 1 d D
H1WA H -0.575(5) -0.150(4) -0.0584(15) 0.052 Uiso 1 1 d D
H1WB H -0.542(6) -0.082(3) 0.034(2) 0.052 Uiso 1 1 d D
O11 O -0.4163(4) -0.2214(3) -0.1522(2) 0.0492(8) Uani 1 1 d .
O12 O -0.6807(5) -0.2039(3) -0.1570(2) 0.0633(11) Uani 1 1 d .
O21 O -0.0328(4) -0.0837(3) -0.10754(19) 0.0406(7) Uani 1 1 d .
O22 O 0.1890(4) 0.0329(3) -0.11711(19) 0.0435(8) Uani 1 1 d .
O31 O -0.2830(4) 0.0274(2) -0.07218(19) 0.0383(7) Uani 1 1 d .
O32 O -0.0482(4) 0.1511(2) -0.0569(2) 0.0404(7) Uani 1 1 d .
N1 N -0.1610(5) -0.3237(3) -0.0759(2) 0.0444(10) Uani 1 1 d .
N2 N -0.2861(5) -0.2858(3) 0.0637(3) 0.0454(10) Uani 1 1 d .
N11 N -0.8047(12) -0.4913(11) -0.6018(6) 0.206(6) Uani 1 1 d .
N21 N -0.1758(10) -0.1983(7) -0.5809(4) 0.129(3) Uani 1 1 d .
N31 N -0.4132(9) 0.1446(7) -0.5137(4) 0.131(3) Uani 1 1 d .
C1 C -0.1023(8) -0.3422(5) -0.1436(3) 0.0600(15) Uani 1 1 d .
H1A H -0.0671 -0.2838 -0.1682 0.072 Uiso 1 1 calc R
C2 C -0.0891(9) -0.4456(6) -0.1815(4) 0.076(2) Uani 1 1 d .
H2A H -0.0478 -0.4554 -0.2298 0.091 Uiso 1 1 calc R
C3 C -0.1389(9) -0.5287(5) -0.1446(5) 0.082(2) Uani 1 1 d .
H3A H -0.1351 -0.5979 -0.1690 0.099 Uiso 1 1 calc R
C4 C -0.1960(7) -0.5137(4) -0.0708(4) 0.0630(17) Uani 1 1 d .
C5 C -0.2455(9) -0.5985(5) -0.0257(6) 0.091(3) Uani 1 1 d .
H5A H -0.2425 -0.6687 -0.0480 0.109 Uiso 1 1 calc R
C6 C -0.2967(10) -0.5812(5) 0.0479(6) 0.089(3) Uani 1 1 d .
H6A H -0.3238 -0.6375 0.0761 0.107 Uiso 1 1 calc R
C7 C -0.3071(7) -0.4736(5) 0.0803(5) 0.0665(18) Uani 1 1 d .
C8 C -0.3573(9) -0.4473(6) 0.1549(5) 0.085(2) Uani 1 1 d .
H8A H -0.3817 -0.5009 0.1860 0.102 Uiso 1 1 calc R
C9 C -0.3716(8) -0.3465(6) 0.1831(4) 0.0761(19) Uani 1 1 d .
H9A H -0.4039 -0.3299 0.2334 0.091 Uiso 1 1 calc R
C10 C -0.3365(7) -0.2665(5) 0.1345(4) 0.0590(15) Uani 1 1 d .
H10A H -0.3495 -0.1972 0.1530 0.071 Uiso 1 1 calc R
C11 C -0.2680(6) -0.3875(4) 0.0365(3) 0.0468(13) Uani 1 1 d .
C12 C -0.2080(6) -0.4075(4) -0.0381(3) 0.0475(13) Uani 1 1 d .
C101 C -0.6233(7) -0.2976(4) -0.2788(3) 0.0474(12) Uani 1 1 d .
C102 C -0.5167(8) -0.3522(5) -0.3123(4) 0.0666(16) Uani 1 1 d .
H10B H -0.4113 -0.3534 -0.2793 0.080 Uiso 1 1 calc R
C103 C -0.5662(10) -0.4054(6) -0.3950(4) 0.091(2) Uani 1 1 d .
H10C H -0.4947 -0.4434 -0.4175 0.110 Uiso 1 1 calc R
C104 C -0.7199(10) -0.4024(7) -0.4440(4) 0.089(2) Uani 1 1 d .
C105 C -0.8289(9) -0.3509(6) -0.4111(4) 0.087(2) Uani 1 1 d .
H10D H -0.9342 -0.3502 -0.4444 0.105 Uiso 1 1 calc R
C106 C -0.7813(7) -0.2995(5) -0.3272(4) 0.0644(16) Uani 1 1 d .
H10E H -0.8565 -0.2662 -0.3036 0.077 Uiso 1 1 calc R
C107 C -0.5713(6) -0.2355(4) -0.1897(3) 0.0402(11) Uani 1 1 d .
C108 C -0.7684(12) -0.4531(10) -0.5320(6) 0.143(4) Uani 1 1 d .
C201 C 0.0095(6) -0.0726(4) -0.2442(3) 0.0377(10) Uani 1 1 d .
C202 C 0.1153(7) -0.0373(5) -0.2940(3) 0.0569(14) Uani 1 1 d .
H20A H 0.2196 0.0075 -0.2690 0.068 Uiso 1 1 calc R
C203 C 0.0664(8) -0.0686(5) -0.3815(3) 0.0693(18) Uani 1 1 d .
H20B H 0.1384 -0.0454 -0.4149 0.083 Uiso 1 1 calc R
C204 C -0.0882(8) -0.1335(5) -0.4186(3) 0.0602(15) Uani 1 1 d .
C205 C -0.1955(7) -0.1649(5) -0.3695(3) 0.0637(16) Uani 1 1 d .
H20C H -0.3019 -0.2068 -0.3948 0.076 Uiso 1 1 calc R
C206 C -0.1471(6) -0.1347(4) -0.2829(3) 0.0504(13) Uani 1 1 d .
H20D H -0.2211 -0.1566 -0.2501 0.061 Uiso 1 1 calc R
C207 C 0.0605(6) -0.0386(4) -0.1497(3) 0.0349(10) Uani 1 1 d .
C208 C -0.1363(9) -0.1697(6) -0.5099(4) 0.082(2) Uani 1 1 d .
C301 C -0.2463(5) 0.1141(4) -0.1880(3) 0.0358(10) Uani 1 1 d .
C302 C -0.1380(6) 0.1775(4) -0.2230(3) 0.0455(12) Uani 1 1 d .
H30A H -0.0337 0.2144 -0.1896 0.055 Uiso 1 1 calc R
C303 C -0.1822(7) 0.1867(5) -0.3068(3) 0.0569(14) Uani 1 1 d .
H30B H -0.1076 0.2286 -0.3304 0.068 Uiso 1 1 calc R
C304 C -0.3367(8) 0.1339(6) -0.3549(4) 0.0707(18) Uani 1 1 d .
C305 C -0.4485(8) 0.0713(7) -0.3201(4) 0.096(3) Uani 1 1 d .
H30C H -0.5539 0.0358 -0.3532 0.115 Uiso 1 1 calc R
C306 C -0.4029(7) 0.0619(5) -0.2364(3) 0.0647(17) Uani 1 1 d .
H30D H -0.4776 0.0205 -0.2125 0.078 Uiso 1 1 calc R
C307 C -0.1885(6) 0.0967(3) -0.0985(3) 0.0322(10) Uani 1 1 d .
C308 C -0.3811(9) 0.1403(8) -0.4437(4) 0.098(3) 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'
Sm Sm -0.1638 3.4418 '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 Sm1 O11 86.47(11) . .
O21 Sm1 O32 76.23(11) . 2
O11 Sm1 O32 137.91(11) . 2
O21 Sm1 O31 72.44(10) . .
O11 Sm1 O31 83.26(11) . .
O32 Sm1 O31 125.37(10) 2 .
O21 Sm1 O22 121.29(11) . 2
O11 Sm1 O22 144.55(12) . 2
O32 Sm1 O22 74.64(11) 2 2
O31 Sm1 O22 84.97(11) . 2
O21 Sm1 O1W 143.48(11) . .
O11 Sm1 O1W 72.30(11) . .
O32 Sm1 O1W 138.60(11) 2 .
O31 Sm1 O1W 75.75(11) . .
O22 Sm1 O1W 72.42(11) 2 .
O21 Sm1 N2 138.87(12) . .
O11 Sm1 N2 96.29(12) . .
O32 Sm1 N2 74.57(11) 2 .
O31 Sm1 N2 148.68(12) . .
O22 Sm1 N2 77.37(12) 2 .
O1W Sm1 N2 74.35(12) . .
O21 Sm1 N1 80.67(12) . .
O11 Sm1 N1 68.65(12) . .
O32 Sm1 N1 70.82(11) 2 .
O31 Sm1 N1 142.10(12) . .
O22 Sm1 N1 132.46(12) 2 .
O1W Sm1 N1 116.42(12) . .
N2 Sm1 N1 62.72(14) . .
O21 Sm1 Sm1 48.59(8) . 2
O11 Sm1 Sm1 130.13(9) . 2
O32 Sm1 Sm1 60.36(7) 2 2
O31 Sm1 Sm1 65.29(7) . 2
O22 Sm1 Sm1 72.70(8) 2 2
O1W Sm1 Sm1 129.06(8) . 2
N2 Sm1 Sm1 130.74(9) . 2
N1 Sm1 Sm1 114.49(9) . 2
Sm1 O1W H1WA 106(3) . .
Sm1 O1W H1WB 132(3) . .
H1WA O1W H1WB 112(4) . .
C107 O11 Sm1 141.6(3) . .
C207 O21 Sm1 168.7(3) . .
C207 O22 Sm1 119.6(3) . 2
C307 O31 Sm1 127.9(3) . .
C307 O32 Sm1 142.2(3) . 2
C1 N1 C12 118.6(5) . .
C1 N1 Sm1 121.5(3) . .
C12 N1 Sm1 119.6(3) . .
C10 N2 C11 118.4(5) . .
C10 N2 Sm1 121.7(4) . .
C11 N2 Sm1 119.9(3) . .
N1 C1 C2 124.0(6) . .
N1 C1 H1A 118.0 . .
C2 C1 H1A 118.0 . .
C3 C2 C1 117.1(7) . .
C3 C2 H2A 121.4 . .
C1 C2 H2A 121.4 . .
C2 C3 C4 121.5(6) . .
C2 C3 H3A 119.2 . .
C4 C3 H3A 119.2 . .
C3 C4 C12 117.4(6) . .
C3 C4 C5 124.8(6) . .
C12 C4 C5 117.8(7) . .
C6 C5 C4 123.6(7) . .
C6 C5 H5A 118.2 . .
C4 C5 H5A 118.2 . .
C5 C6 C7 117.9(7) . .
C5 C6 H6A 121.0 . .
C7 C6 H6A 121.0 . .
C8 C7 C11 116.4(6) . .
C8 C7 C6 122.5(7) . .
C11 C7 C6 121.1(7) . .
C9 C8 C7 121.7(6) . .
C9 C8 H8A 119.1 . .
C7 C8 H8A 119.1 . .
C8 C9 C10 118.4(7) . .
C8 C9 H9A 120.8 . .
C10 C9 H9A 120.8 . .
N2 C10 C9 122.9(6) . .
N2 C10 H10A 118.6 . .
C9 C10 H10A 118.6 . .
N2 C11 C7 122.0(6) . .
N2 C11 C12 118.5(4) . .
C7 C11 C12 119.5(5) . .
N1 C12 C4 121.2(6) . .
N1 C12 C11 118.8(4) . .
C4 C12 C11 120.0(5) . .
C106 C101 C102 119.6(5) . .
C106 C101 C107 119.1(5) . .
C102 C101 C107 121.3(5) . .
C101 C102 C103 119.8(6) . .
C101 C102 H10B 120.1 . .
C103 C102 H10B 120.1 . .
C104 C103 C102 120.3(7) . .
C104 C103 H10C 119.9 . .
C102 C103 H10C 119.9 . .
C105 C104 C103 120.6(6) . .
C105 C104 C108 119.0(8) . .
C103 C104 C108 120.4(8) . .
C104 C105 C106 119.3(6) . .
C104 C105 H10D 120.4 . .
C106 C105 H10D 120.4 . .
C101 C106 C105 120.3(6) . .
C101 C106 H10E 119.9 . .
C105 C106 H10E 119.9 . .
O12 C107 O11 124.5(4) . .
O12 C107 C101 118.9(4) . .
O11 C107 C101 116.7(5) . .
N11 C108 C104 178.6(14) . .
C206 C201 C202 118.8(4) . .
C206 C201 C207 120.4(4) . .
C202 C201 C207 120.7(4) . .
C201 C202 C203 120.2(5) . .
C201 C202 H20A 119.9 . .
C203 C202 H20A 119.9 . .
C204 C203 C202 119.9(5) . .
C204 C203 H20B 120.0 . .
C202 C203 H20B 120.0 . .
C205 C204 C203 119.8(5) . .
C205 C204 C208 120.4(5) . .
C203 C204 C208 119.8(6) . .
C204 C205 C206 120.4(5) . .
C204 C205 H20C 119.8 . .
C206 C205 H20C 119.8 . .
C205 C206 C201 120.7(5) . .
C205 C206 H20D 119.6 . .
C201 C206 H20D 119.6 . .
O22 C207 O21 123.5(4) . .
O22 C207 C201 119.4(4) . .
O21 C207 C201 117.1(4) . .
N21 C208 C204 179.2(9) . .
C306 C301 C302 119.9(4) . .
C306 C301 C307 120.3(4) . .
C302 C301 C307 119.6(4) . .
C303 C302 C301 120.7(5) . .
C303 C302 H30A 119.7 . .
C301 C302 H30A 119.7 . .
C304 C303 C302 119.3(5) . .
C304 C303 H30B 120.4 . .
C302 C303 H30B 120.4 . .
C303 C304 C305 120.7(5) . .
C303 C304 C308 119.4(6) . .
C305 C304 C308 119.9(6) . .
C306 C305 C304 119.7(6) . .
C306 C305 H30C 120.2 . .
C304 C305 H30C 120.2 . .
C301 C306 C305 119.7(5) . .
C301 C306 H30D 120.1 . .
C305 C306 H30D 120.1 . .
O32 C307 O31 125.5(4) . .
O32 C307 C301 116.7(4) . .
O31 C307 C301 117.8(4) . .
N31 C308 C304 178.7(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sm1 O21 2.349(3) .
Sm1 O11 2.387(3) .
Sm1 O32 2.390(3) 2
Sm1 O31 2.415(3) .
Sm1 O22 2.429(3) 2
Sm1 O1W 2.432(3) .
Sm1 N2 2.616(4) .
Sm1 N1 2.624(4) .
Sm1 Sm1 4.4156(6) 2
O1W H1WA 0.956(10) .
O1W H1WB 0.953(10) .
O11 C107 1.274(6) .
O12 C107 1.241(6) .
O21 C207 1.262(5) .
O22 C207 1.248(5) .
O22 Sm1 2.429(3) 2
O31 C307 1.264(5) .
O32 C307 1.253(5) .
O32 Sm1 2.390(3) 2
N1 C1 1.312(7) .
N1 C12 1.353(6) .
N2 C10 1.322(7) .
N2 C11 1.362(6) .
N11 C108 1.140(10) .
N21 C208 1.135(8) .
N31 C308 1.134(8) .
C1 C2 1.416(8) .
C1 H1A 0.9300 .
C2 C3 1.341(10) .
C2 H2A 0.9300 .
C3 C4 1.393(10) .
C3 H3A 0.9300 .
C4 C12 1.420(7) .
C4 C5 1.446(10) .
C5 C6 1.365(11) .
C5 H5A 0.9300 .
C6 C7 1.432(9) .
C6 H6A 0.9300 .
C7 C8 1.391(10) .
C7 C11 1.424(7) .
C8 C9 1.344(11) .
C8 H8A 0.9300 .
C9 C10 1.410(8) .
C9 H9A 0.9300 .
C10 H10A 0.9300 .
C11 C12 1.424(8) .
C101 C106 1.376(7) .
C101 C102 1.370(8) .
C101 C107 1.506(7) .
C102 C103 1.377(8) .
C102 H10B 0.9300 .
C103 C104 1.366(10) .
C103 H10C 0.9300 .
C104 C105 1.361(10) .
C104 C108 1.445(10) .
C105 C106 1.388(8) .
C105 H10D 0.9300 .
C106 H10E 0.9300 .
C201 C206 1.374(7) .
C201 C202 1.381(7) .
C201 C207 1.503(6) .
C202 C203 1.391(7) .
C202 H20A 0.9300 .
C203 C204 1.371(8) .
C203 H20B 0.9300 .
C204 C205 1.367(8) .
C204 C208 1.457(8) .
C205 C206 1.377(7) .
C205 H20C 0.9300 .
C206 H20D 0.9300 .
C301 C306 1.376(7) .
C301 C302 1.375(6) .
C301 C307 1.507(6) .
C302 C303 1.374(7) .
C302 H30A 0.9300 .
C303 C304 1.364(8) .
C303 H30B 0.9300 .
C304 C305 1.386(9) .
C304 C308 1.446(8) .
C305 C306 1.375(7) .
C305 H30C 0.9300 .
C306 H30D 0.9300 .
