#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:49:57 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179426 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/23/4332341.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_4332341
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         '[Gd2(4-cba)6(phen)2(H2O)2]'
_chemical_formula_sum            'C72 H44 Gd2 N10 O14'
_chemical_formula_weight         1587.67
_chemical_name_common            '[Gd2(4-cba)6(phen)2(H2O)2]'
_chemical_name_systematic        '[Gd2(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                97.903(2)
_cell_angle_beta                 102.136(3)
_cell_angle_gamma                99.775(3)
_cell_formula_units_Z            1
_cell_length_a                   8.273(2)
_cell_length_b                   12.796(4)
_cell_length_c                   16.424(5)
_cell_measurement_reflns_used    4735
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      3.1436
_cell_volume                     1647.8(8)
_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 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rotating Anode generator'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0168
_diffrn_reflns_av_sigmaI/netI    0.0271
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            10447
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         3.14
_exptl_absorpt_coefficient_mu    2.070
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7817
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sphere (Rigaku CrystalClear)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             786
_exptl_crystal_size_max          0.4000
_exptl_crystal_size_mid          0.2300
_exptl_crystal_size_min          0.1000
_refine_diff_density_max         0.407
_refine_diff_density_min         -0.641
_refine_diff_density_rms         0.063
_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         5781
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0257
_refine_ls_R_factor_gt           0.0234
_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)+(0.0380P)²+0.4248P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0589
_refine_ls_wR_factor_ref         0.0607
_reflns_number_gt                5466
_reflns_number_total             5781
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0602603sup6.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'TRICLINIC' changed to 'triclinic'
according to /home/saulius/struct/CIF-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
/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        1647.9(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4332341
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
Gd1 Gd 0.220425(15) 0.134592(10) 0.023493(7) 0.02830(6) Uani 1 1 d .
O1W O 0.4986(3) 0.12948(18) 0.00222(13) 0.0420(5) Uani 1 1 d D
H1WA H 0.573(3) 0.151(3) 0.0566(10) 0.050 Uiso 1 1 d D
H1WB H 0.538(4) 0.080(2) -0.0334(16) 0.050 Uiso 1 1 d D
O11 O 0.2819(2) -0.02568(16) 0.07119(12) 0.0372(4) Uani 1 1 d .
O12 O 0.0466(2) -0.14932(16) 0.05609(12) 0.0393(5) Uani 1 1 d .
O21 O 0.0379(2) 0.08652(16) 0.10830(12) 0.0374(4) Uani 1 1 d .
O22 O -0.1862(3) -0.03205(17) 0.11559(12) 0.0419(5) Uani 1 1 d .
O31 O 0.4161(3) 0.22216(18) 0.15125(13) 0.0456(5) Uani 1 1 d .
O32 O 0.6808(3) 0.2038(2) 0.15666(15) 0.0612(7) Uani 1 1 d .
N1 N 0.2868(3) 0.2834(2) -0.06377(16) 0.0422(6) Uani 1 1 d .
N2 N 0.1624(3) 0.3224(2) 0.07578(16) 0.0430(6) Uani 1 1 d .
N11 N 0.4127(6) -0.1448(5) 0.5129(2) 0.126(2) Uani 1 1 d .
N21 N 0.1717(7) 0.1970(5) 0.5806(2) 0.1253(19) Uani 1 1 d .
N31 N 0.8053(8) 0.4889(7) 0.6021(3) 0.204(4) Uani 1 1 d .
C1 C 0.3383(4) 0.2635(3) -0.1344(2) 0.0548(9) Uani 1 1 d .
H1A H 0.3532 0.1943 -0.1521 0.066 Uiso 1 1 calc R
C2 C 0.3712(5) 0.3423(4) -0.1837(3) 0.0736(12) Uani 1 1 d .
H2A H 0.4019 0.3248 -0.2344 0.088 Uiso 1 1 calc R
C3 C 0.3571(6) 0.4447(4) -0.1558(3) 0.0804(14) Uani 1 1 d .
H3A H 0.3804 0.4981 -0.1872 0.097 Uiso 1 1 calc R
C4 C 0.3083(4) 0.4704(3) -0.0806(3) 0.0617(10) Uani 1 1 d .
C5 C 0.2976(6) 0.5787(3) -0.0491(4) 0.0843(16) Uani 1 1 d .
H5A H 0.3258 0.6346 -0.0775 0.101 Uiso 1 1 calc R
C6 C 0.2444(6) 0.5972(3) 0.0242(4) 0.0867(16) Uani 1 1 d .
H6A H 0.2390 0.6674 0.0457 0.104 Uiso 1 1 calc R
C7 C 0.1967(5) 0.5128(3) 0.0696(3) 0.0613(11) Uani 1 1 d .
C8 C 0.1397(5) 0.5297(3) 0.1438(3) 0.0767(13) Uani 1 1 d .
H8A H 0.1339 0.5989 0.1674 0.092 Uiso 1 1 calc R
C9 C 0.0929(6) 0.4454(4) 0.1813(3) 0.0730(12) Uani 1 1 d .
H9A H 0.0549 0.4559 0.2306 0.088 Uiso 1 1 calc R
C10 C 0.1029(5) 0.3423(3) 0.1443(2) 0.0587(9) Uani 1 1 d .
H10C H 0.0660 0.2844 0.1690 0.070 Uiso 1 1 calc R
C11 C 0.2086(4) 0.4065(2) 0.0379(2) 0.0454(8) Uani 1 1 d .
C12 C 0.2690(4) 0.3855(3) -0.0374(2) 0.0447(8) Uani 1 1 d .
C101 C 0.2471(3) -0.1136(2) 0.18635(17) 0.0359(6) Uani 1 1 d .
C102 C 0.4026(4) -0.0596(4) 0.2357(2) 0.0630(11) Uani 1 1 d .
H10B H 0.4768 -0.0166 0.2126 0.076 Uiso 1 1 calc R
C103 C 0.4479(5) -0.0694(5) 0.3193(2) 0.0917(17) Uani 1 1 d .
H10E H 0.5530 -0.0332 0.3527 0.110 Uiso 1 1 calc R
C104 C 0.3375(5) -0.1332(4) 0.3538(2) 0.0658(11) Uani 1 1 d .
C105 C 0.1814(5) -0.1870(3) 0.3052(2) 0.0556(9) Uani 1 1 d .
H10D H 0.1067 -0.2293 0.3286 0.067 Uiso 1 1 calc R
C106 C 0.1376(4) -0.1773(3) 0.2212(2) 0.0449(7) Uani 1 1 d .
H10A H 0.0330 -0.2141 0.1876 0.054 Uiso 1 1 calc R
C107 C 0.1882(3) -0.0958(2) 0.09737(17) 0.0303(6) Uani 1 1 d .
C108 C 0.3810(6) -0.1401(5) 0.4426(3) 0.0925(17) Uani 1 1 d .
C201 C -0.0079(4) 0.0728(2) 0.24370(17) 0.0350(6) Uani 1 1 d .
C202 C 0.1479(4) 0.1360(3) 0.28324(19) 0.0489(8) Uani 1 1 d .
H20D H 0.2224 0.1589 0.2510 0.059 Uiso 1 1 calc R
C203 C 0.1952(5) 0.1657(3) 0.3698(2) 0.0617(10) Uani 1 1 d .
H20C H 0.3013 0.2084 0.3957 0.074 Uiso 1 1 calc R
C204 C 0.0867(5) 0.1328(3) 0.4183(2) 0.0596(10) Uani 1 1 d .
C205 C -0.0682(5) 0.0674(4) 0.3802(2) 0.0690(12) Uani 1 1 d .
H20A H -0.1411 0.0436 0.4130 0.083 Uiso 1 1 calc R
C206 C -0.1156(4) 0.0373(3) 0.29293(19) 0.0563(9) Uani 1 1 d .
H20B H -0.2203 -0.0071 0.2672 0.068 Uiso 1 1 calc R
C207 C -0.0571(3) 0.0406(2) 0.14910(17) 0.0322(6) Uani 1 1 d .
C208 C 0.1346(6) 0.1682(4) 0.5090(2) 0.0830(14) Uani 1 1 d .
C301 C 0.6238(4) 0.2978(3) 0.27780(19) 0.0453(7) Uani 1 1 d .
C302 C 0.7819(5) 0.2988(4) 0.3271(2) 0.0654(11) Uani 1 1 d .
H30A H 0.8567 0.2646 0.3039 0.079 Uiso 1 1 calc R
C303 C 0.8293(6) 0.3501(4) 0.4104(3) 0.0853(14) Uani 1 1 d .
H30D H 0.9354 0.3499 0.4433 0.102 Uiso 1 1 calc R
C304 C 0.7212(6) 0.4009(5) 0.4444(3) 0.0898(16) Uani 1 1 d .
C305 C 0.5655(6) 0.4056(4) 0.3950(3) 0.0882(15) Uani 1 1 d .
H30C H 0.4944 0.4441 0.4175 0.106 Uiso 1 1 calc R
C306 C 0.5175(5) 0.3522(3) 0.3120(2) 0.0640(10) Uani 1 1 d .
H30B H 0.4119 0.3532 0.2789 0.077 Uiso 1 1 calc R
C307 C 0.5711(4) 0.2354(2) 0.18855(18) 0.0386(7) Uani 1 1 d .
C308 C 0.7679(8) 0.4517(7) 0.5330(3) 0.136(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'
Gd Gd -0.1653 3.9035 '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 Gd1 O31 85.84(7) . .
O21 Gd1 O12 76.32(7) . 2
O31 Gd1 O12 138.13(7) . 2
O21 Gd1 O11 72.49(7) . .
O31 Gd1 O11 83.73(7) . .
O12 Gd1 O11 124.47(7) 2 .
O21 Gd1 O22 121.17(7) . 2
O31 Gd1 O22 145.20(7) . 2
O12 Gd1 O22 74.08(7) 2 2
O11 Gd1 O22 84.41(7) . 2
O21 Gd1 O1W 143.46(7) . .
O31 Gd1 O1W 72.88(7) . .
O12 Gd1 O1W 138.39(7) 2 .
O11 Gd1 O1W 75.87(7) . .
O22 Gd1 O1W 72.52(7) 2 .
O21 Gd1 N1 139.13(8) . .
O31 Gd1 N1 96.52(8) . .
O12 Gd1 N1 75.08(7) 2 .
O11 Gd1 N1 148.37(8) . .
O22 Gd1 N1 77.48(8) 2 .
O1W Gd1 N1 74.06(8) . .
O21 Gd1 N2 80.13(8) . .
O31 Gd1 N2 68.58(8) . .
O12 Gd1 N2 71.19(7) 2 .
O11 Gd1 N2 142.25(8) . .
O22 Gd1 N2 132.71(8) 2 .
O1W Gd1 N2 116.93(8) . .
N1 Gd1 N2 63.33(9) . .
O21 Gd1 Gd1 49.32(5) . 2
O31 Gd1 Gd1 130.25(5) . 2
O12 Gd1 Gd1 59.77(5) 2 2
O11 Gd1 Gd1 65.00(5) . 2
O22 Gd1 Gd1 71.85(5) 2 2
O1W Gd1 Gd1 128.66(5) . 2
N1 Gd1 Gd1 130.49(5) . 2
N2 Gd1 Gd1 114.37(6) . 2
Gd1 O1W H1WA 106(2) . .
Gd1 O1W H1WB 131.8(19) . .
H1WA O1W H1WB 112(3) . .
C107 O11 Gd1 128.67(17) . .
C107 O12 Gd1 143.40(18) . 2
C207 O21 Gd1 167.88(19) . .
C207 O22 Gd1 121.00(17) . 2
C307 O31 Gd1 141.25(19) . .
C1 N1 C12 118.1(3) . .
C1 N1 Gd1 121.9(2) . .
C12 N1 Gd1 120.0(2) . .
C10 N2 C11 117.8(3) . .
C10 N2 Gd1 122.1(2) . .
C11 N2 Gd1 119.8(2) . .
N1 C1 C2 122.8(4) . .
N1 C1 H1A 118.6 . .
C2 C1 H1A 118.6 . .
C3 C2 C1 118.6(4) . .
C3 C2 H2A 120.7 . .
C1 C2 H2A 120.7 . .
C2 C3 C4 120.7(4) . .
C2 C3 H3A 119.7 . .
C4 C3 H3A 119.7 . .
C3 C4 C12 117.0(4) . .
C3 C4 C5 121.4(4) . .
C12 C4 C5 121.6(4) . .
C6 C5 C4 118.0(4) . .
C6 C5 H5A 121.0 . .
C4 C5 H5A 121.0 . .
C5 C6 C7 122.9(4) . .
C5 C6 H6A 118.6 . .
C7 C6 H6A 118.6 . .
C8 C7 C11 117.7(4) . .
C8 C7 C6 123.8(4) . .
C11 C7 C6 118.5(4) . .
C9 C8 C7 120.1(4) . .
C9 C8 H8A 119.9 . .
C7 C8 H8A 119.9 . .
C8 C9 C10 118.6(4) . .
C8 C9 H9A 120.7 . .
C10 C9 H9A 120.7 . .
N2 C10 C9 123.7(4) . .
N2 C10 H10C 118.2 . .
C9 C10 H10C 118.2 . .
N2 C11 C7 122.0(3) . .
N2 C11 C12 118.3(3) . .
C7 C11 C12 119.7(3) . .
N1 C12 C4 122.6(3) . .
N1 C12 C11 118.1(3) . .
C4 C12 C11 119.3(3) . .
C102 C101 C106 119.8(3) . .
C102 C101 C107 120.6(3) . .
C106 C101 C107 119.3(3) . .
C101 C102 C103 119.8(3) . .
C101 C102 H10B 120.1 . .
C103 C102 H10B 120.1 . .
C102 C103 C104 120.1(3) . .
C102 C103 H10E 119.9 . .
C104 C103 H10E 119.9 . .
C105 C104 C103 120.5(3) . .
C105 C104 C108 118.9(3) . .
C103 C104 C108 120.5(4) . .
C104 C105 C106 118.9(3) . .
C104 C105 H10D 120.5 . .
C106 C105 H10D 120.5 . .
C105 C106 C101 120.9(3) . .
C105 C106 H10A 119.6 . .
C101 C106 H10A 119.6 . .
O12 C107 O11 125.3(3) . .
O12 C107 C101 116.8(2) . .
O11 C107 C101 117.9(2) . .
N11 C108 C104 178.7(6) . .
C202 C201 C206 118.8(3) . .
C202 C201 C207 120.1(3) . .
C206 C201 C207 121.1(3) . .
C201 C202 C203 120.8(3) . .
C201 C202 H20D 119.6 . .
C203 C202 H20D 119.6 . .
C204 C203 C202 120.3(3) . .
C204 C203 H20C 119.9 . .
C202 C203 H20C 119.9 . .
C203 C204 C205 119.9(3) . .
C203 C204 C208 119.9(4) . .
C205 C204 C208 120.2(3) . .
C204 C205 C206 119.8(3) . .
C204 C205 H20A 120.1 . .
C206 C205 H20A 120.1 . .
C205 C206 C201 120.4(3) . .
C205 C206 H20B 119.8 . .
C201 C206 H20B 119.8 . .
O22 C207 O21 124.1(2) . .
O22 C207 C201 118.8(2) . .
O21 C207 C201 117.2(2) . .
N21 C208 C204 179.3(7) . .
C306 C301 C302 119.1(3) . .
C306 C301 C307 121.6(3) . .
C302 C301 C307 119.3(3) . .
C303 C302 C301 120.4(4) . .
C303 C302 H30A 119.8 . .
C301 C302 H30A 119.8 . .
C304 C303 C302 120.1(4) . .
C304 C303 H30D 120.0 . .
C302 C303 H30D 120.0 . .
C303 C304 C305 120.6(4) . .
C303 C304 C308 120.3(5) . .
C305 C304 C308 119.1(5) . .
C304 C305 C306 119.0(4) . .
C304 C305 H30C 120.5 . .
C306 C305 H30C 120.5 . .
C301 C306 C305 120.8(4) . .
C301 C306 H30B 119.6 . .
C305 C306 H30B 119.6 . .
O32 C307 O31 125.3(3) . .
O32 C307 C301 118.3(3) . .
O31 C307 C301 116.4(3) . .
N31 C308 C304 178.4(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O21 2.3246(18) .
Gd1 O31 2.364(2) .
Gd1 O12 2.371(2) 2
Gd1 O11 2.389(2) .
Gd1 O22 2.408(2) 2
Gd1 O1W 2.410(2) .
Gd1 N1 2.590(2) .
Gd1 N2 2.596(3) .
Gd1 Gd1 4.4252(9) 2
O1W H1WA 0.946(10) .
O1W H1WB 0.945(10) .
O11 C107 1.265(3) .
O12 C107 1.252(3) .
O12 Gd1 2.371(2) 2
O21 C207 1.259(3) .
O22 C207 1.258(3) .
O22 Gd1 2.408(2) 2
O31 C307 1.271(4) .
O32 C307 1.236(4) .
N1 C1 1.325(4) .
N1 C12 1.361(4) .
N2 C10 1.330(4) .
N2 C11 1.355(4) .
N11 C108 1.141(5) .
N21 C208 1.141(5) .
N31 C308 1.125(6) .
C1 C2 1.404(5) .
C1 H1A 0.9300 .
C2 C3 1.360(7) .
C2 H2A 0.9300 .
C3 C4 1.392(6) .
C3 H3A 0.9300 .
C4 C12 1.406(5) .
C4 C5 1.435(6) .
C5 C6 1.371(7) .
C5 H5A 0.9300 .
C6 C7 1.441(6) .
C6 H6A 0.9300 .
C7 C8 1.400(6) .
C7 C11 1.415(5) .
C8 C9 1.353(6) .
C8 H8A 0.9300 .
C9 C10 1.398(5) .
C9 H9A 0.9300 .
C10 H10C 0.9300 .
C11 C12 1.438(5) .
C101 C102 1.377(4) .
C101 C106 1.381(4) .
C101 C107 1.502(4) .
C102 C103 1.374(5) .
C102 H10B 0.9300 .
C103 C104 1.384(5) .
C103 H10E 0.9300 .
C104 C105 1.375(5) .
C104 C108 1.444(5) .
C105 C106 1.379(4) .
C105 H10D 0.9300 .
C106 H10A 0.9300 .
C201 C202 1.374(4) .
C201 C206 1.386(4) .
C201 C207 1.500(4) .
C202 C203 1.374(4) .
C202 H20D 0.9300 .
C203 C204 1.371(5) .
C203 H20C 0.9300 .
C204 C205 1.374(5) .
C204 C208 1.445(5) .
C205 C206 1.385(5) .
C205 H20A 0.9300 .
C206 H20B 0.9300 .
C301 C306 1.372(5) .
C301 C302 1.384(5) .
C301 C307 1.506(4) .
C302 C303 1.377(5) .
C302 H30A 0.9300 .
C303 C304 1.357(7) .
C303 H30D 0.9300 .
C304 C305 1.386(7) .
C304 C308 1.452(6) .
C305 C306 1.382(5) .
C305 H30C 0.9300 .
C306 H30B 0.9300 .
