#------------------------------------------------------------------------------
#$Date: 2017-03-29 17:18:51 +0300 (Wed, 29 Mar 2017) $
#$Revision: 194586 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/03/4510340.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_4510340
loop_
_publ_author_name
'Lu, Ying-Bing'
'Jian, Fang-Mei'
'Jin, Shuang'
'Zhao, Jun-Wei'
'Xie, Yong-Rong'
'Luo, Guo-Tian'
_publ_section_title
;
 Three-Dimensional Extended Frameworks Constructed from Dinuclear
 Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with
 Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and
 Magnetic and Luminescent Properties
;
_journal_issue                   4
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1684
_journal_paper_doi               10.1021/cg401825f
_journal_volume                  14
_journal_year                    2014
_chemical_formula_moiety         '[C6H7N4][Pr(C12H6O4)2(H2O)]\\times H2O'
_chemical_formula_sum            'C30 H23 N4 O10 Pr'
_chemical_formula_weight         740.44
_chemical_melting_point          ?
_chemical_name_common
;
 [C6H7N4][Pr(C12H6O4)2(H2O)]× H2O
;
_chemical_name_systematic
;
 [C6H7N4][Pr(C12H6O4)2(H2O)]× H2O
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 103.943(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.179(5)
_cell_length_b                   15.482(7)
_cell_length_c                   16.052(7)
_cell_measurement_temperature    296(2)
_cell_volume                     2696(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0184
_diffrn_reflns_av_sigmaI/netI    0.0170
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            16045
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.61
_exptl_absorpt_coefficient_mu    1.843
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.6662
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2008)'
_exptl_crystal_colour            'pale green'
_exptl_crystal_density_diffrn    1.877
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blcok
_exptl_crystal_F_000             1508
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.837
_refine_diff_density_min         -0.959
_refine_diff_density_rms         0.152
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     418
_refine_ls_number_reflns         4797
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0343
_refine_ls_R_factor_gt           0.0323
_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)+(0.1100P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1174
_refine_ls_wR_factor_ref         0.1219
_reflns_number_gt                4477
_reflns_number_total             4797
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg401825f_si_002.cif
_cod_data_source_block           14
_cod_depositor_comments
;
 Replacing the "&#x00A1;&#x00A4;" substring with the "\\times " substring in
 the values of the _chemical_formula_moiety, _chemical_name_common and
 _chemical_name_systematic data items.

 Antanas Vaitkus,
 2017-03-29

The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not
given.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' according to
/usr/data/users/saulius/automatic-downloads/current/ACS/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 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4510340
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Pr1 Pr 0.816516(12) 0.483488(10) 0.459851(8) 0.01579(7) Uani 1 1 d .
O1W O 0.6485(3) 0.4345(2) 0.53942(18) 0.0354(6) Uani 1 1 d D
H1WA H 0.687(3) 0.3892(9) 0.541(3) 0.053 Uiso 1 1 d D
H1WB H 0.697(3) 0.4734(13) 0.561(3) 0.053 Uiso 1 1 d D
O1 O 0.7518(2) 0.42193(15) 0.29937(14) 0.0242(5) Uani 1 1 d .
C1 C 0.6162(3) 0.2989(2) 0.26197(18) 0.0150(6) Uani 1 1 d .
N1 N 0.4031(2) 0.42430(18) -0.10760(17) 0.0207(6) Uani 1 1 d .
H1A H 0.4185 0.4756 -0.0872 0.025 Uiso 1 1 calc R
O2 O 0.7112(2) 0.34520(14) 0.40311(13) 0.0208(5) Uani 1 1 d .
C2 C 0.6458(3) 0.2138(2) 0.2653(2) 0.0188(7) Uani 1 1 d .
H2B H 0.7172 0.1944 0.3033 0.023 Uiso 1 1 calc R
N2 N 0.4160(2) 0.28711(19) -0.12569(18) 0.0233(6) Uani 1 1 d .
H2A H 0.4410 0.2344 -0.1192 0.028 Uiso 1 1 calc R
O2W O 1.5669(2) 0.88853(18) 1.09654(18) 0.0358(6) Uani 1 1 d D
H2WA H 1.6344(15) 0.914(2) 1.0944(17) 0.054 Uiso 1 1 d D
H2WB H 1.558(3) 0.899(3) 1.1448(14) 0.054 Uiso 1 1 d D
O3 O 0.2861(3) 0.12822(18) 0.0461(2) 0.0476(9) Uani 1 1 d .
C3 C 0.5680(3) 0.1548(2) 0.2111(2) 0.0192(7) Uani 1 1 d .
H3A H 0.5889 0.0965 0.2150 0.023 Uiso 1 1 calc R
N3 N 0.6205(3) 0.41075(18) 0.04562(16) 0.0210(6) Uani 1 1 d .
O4 O 0.4058(3) 0.03280(17) 0.1223(2) 0.0346(7) Uani 1 1 d .
C4 C 0.4620(3) 0.1801(2) 0.15241(18) 0.0147(6) Uani 1 1 d .
N4 N 0.6561(3) 0.2814(2) 0.00172(18) 0.0240(7) Uani 1 1 d .
H4A H 0.6475 0.2350 -0.0285 0.029 Uiso 1 1 calc R
O5 O 1.1703(2) 0.44608(15) 0.38871(15) 0.0228(5) Uani 1 1 d .
C5 C 0.4304(3) 0.2702(2) 0.14487(18) 0.0149(6) Uani 1 1 d .
O6 O 1.01121(18) 0.41497(13) 0.44108(12) 0.0125(4) Uani 1 1 d .
C6 C 0.3263(3) 0.3034(2) 0.0843(2) 0.0217(7) Uani 1 1 d .
H6A H 0.2771 0.2662 0.0450 0.026 Uiso 1 1 calc R
O7 O 0.90253(19) 0.12037(14) 0.07752(13) 0.0167(5) Uani 1 1 d .
C7 C 0.2970(3) 0.3903(2) 0.0832(2) 0.0261(8) Uani 1 1 d .
H7A H 0.2280 0.4109 0.0436 0.031 Uiso 1 1 calc R
O8 O 1.0965(2) 0.07907(16) 0.13547(14) 0.0263(6) Uani 1 1 d .
C8 C 0.3707(3) 0.4472(2) 0.1411(2) 0.0253(8) Uani 1 1 d .
H8A H 0.3494 0.5054 0.1401 0.030 Uiso 1 1 calc R
C9 C 0.4726(3) 0.4190(2) 0.1986(2) 0.0211(7) Uani 1 1 d .
H9A H 0.5205 0.4580 0.2365 0.025 Uiso 1 1 calc R
C10 C 0.5077(3) 0.3300(2) 0.20188(18) 0.0142(6) Uani 1 1 d .
C11 C 0.6986(3) 0.3595(2) 0.32381(19) 0.0146(6) Uani 1 1 d .
C12 C 0.3811(3) 0.1096(2) 0.10327(19) 0.0179(7) Uani 1 1 d .
C13 C 1.0493(2) 0.32705(19) 0.32499(17) 0.0110(6) Uani 1 1 d .
C14 C 1.0733(3) 0.3419(2) 0.24606(19) 0.0151(7) Uani 1 1 d .
H14A H 1.1014 0.3960 0.2342 0.018 Uiso 1 1 calc R
C15 C 1.0562(3) 0.2768(2) 0.18293(18) 0.0152(6) Uani 1 1 d .
H15A H 1.0715 0.2887 0.1297 0.018 Uiso 1 1 calc R
C16 C 1.0169(2) 0.19583(19) 0.19963(18) 0.0121(6) Uani 1 1 d .
C17 C 0.9928(2) 0.17755(19) 0.28011(18) 0.0127(6) Uani 1 1 d .
C18 C 0.9573(3) 0.0938(2) 0.3001(2) 0.0221(7) Uani 1 1 d .
H18A H 0.9473 0.0509 0.2585 0.026 Uiso 1 1 calc R
C19 C 0.9375(4) 0.0743(2) 0.3779(2) 0.0289(8) Uani 1 1 d .
H19A H 0.9142 0.0188 0.3896 0.035 Uiso 1 1 calc R
C20 C 0.9529(3) 0.1408(2) 0.4417(2) 0.0268(8) Uani 1 1 d .
H20A H 0.9405 0.1278 0.4956 0.032 Uiso 1 1 calc R
C21 C 0.9852(3) 0.2222(2) 0.42485(19) 0.0202(7) Uani 1 1 d .
H21A H 0.9928 0.2644 0.4670 0.024 Uiso 1 1 calc R
C22 C 1.0076(3) 0.24405(19) 0.34426(17) 0.0112(6) Uani 1 1 d .
C23 C 1.0783(3) 0.40093(19) 0.38856(18) 0.0131(6) Uani 1 1 d .
C24 C 1.0045(3) 0.12569(18) 0.13207(17) 0.0111(6) Uani 1 1 d .
C25 C 0.3143(3) 0.3167(3) -0.1866(2) 0.0294(9) Uani 1 1 d .
H25A H 0.2611 0.2835 -0.2278 0.035 Uiso 1 1 calc R
C26 C 0.3072(3) 0.4012(3) -0.1749(2) 0.0276(8) Uani 1 1 d .
H26A H 0.2478 0.4382 -0.2066 0.033 Uiso 1 1 calc R
C27 C 0.4680(3) 0.3537(2) -0.07947(19) 0.0170(6) Uani 1 1 d .
C28 C 0.5796(3) 0.3504(2) -0.01093(19) 0.0165(7) Uani 1 1 d .
C29 C 0.7271(3) 0.3781(3) 0.0988(2) 0.0271(8) Uani 1 1 d .
H29A H 0.7756 0.4065 0.1460 0.032 Uiso 1 1 calc R
C30 C 0.7497(3) 0.2996(3) 0.0718(2) 0.0286(8) Uani 1 1 d .
H30A H 0.8162 0.2641 0.0960 0.034 Uiso 1 1 calc R
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'
Pr Pr -0.1892 4.4098 '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'
H H 0.0000 0.0000 '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
O8 Pr1 O7 135.52(8) 2_755 4_566
O8 Pr1 O6 72.43(8) 2_755 .
O7 Pr1 O6 68.27(7) 4_566 .
O8 Pr1 O2 120.22(8) 2_755 .
O7 Pr1 O2 77.63(8) 4_566 .
O6 Pr1 O2 86.57(8) . .
O8 Pr1 O3 71.83(11) 2_755 2_655
O7 Pr1 O3 134.04(9) 4_566 2_655
O6 Pr1 O3 140.95(9) . 2_655
O2 Pr1 O3 125.35(9) . 2_655
O8 Pr1 O1W 154.47(9) 2_755 .
O7 Pr1 O1W 68.61(9) 4_566 .
O6 Pr1 O1W 132.90(9) . .
O2 Pr1 O1W 66.51(9) . .
O3 Pr1 O1W 84.40(11) 2_655 .
O8 Pr1 O4 88.93(9) 2_755 2_655
O7 Pr1 O4 135.48(8) 4_566 2_655
O6 Pr1 O4 143.75(8) . 2_655
O2 Pr1 O4 76.20(8) . 2_655
O3 Pr1 O4 49.71(9) 2_655 2_655
O1W Pr1 O4 68.11(10) . 2_655
O8 Pr1 O5 112.19(8) 2_755 3_766
O7 Pr1 O5 69.02(8) 4_566 3_766
O6 Pr1 O5 115.41(7) . 3_766
O2 Pr1 O5 127.26(7) . 3_766
O3 Pr1 O5 65.75(9) 2_655 3_766
O1W Pr1 O5 63.80(8) . 3_766
O4 Pr1 O5 100.27(9) 2_655 3_766
O8 Pr1 O1 71.05(8) 2_755 .
O7 Pr1 O1 117.73(8) 4_566 .
O6 Pr1 O1 76.99(7) . .
O2 Pr1 O1 49.60(7) . .
O3 Pr1 O1 105.42(9) 2_655 .
O1W Pr1 O1 107.81(8) . .
O4 Pr1 O1 67.50(9) 2_655 .
O5 Pr1 O1 167.58(8) 3_766 .
O8 Pr1 O6 71.68(7) 2_755 3_766
O7 Pr1 O6 80.70(7) 4_566 3_766
O6 Pr1 O6 78.43(7) . 3_766
O2 Pr1 O6 157.05(7) . 3_766
O3 Pr1 O6 75.90(8) 2_655 3_766
O1W Pr1 O6 112.07(8) . 3_766
O4 Pr1 O6 125.61(8) 2_655 3_766
O5 Pr1 O6 48.69(7) 3_766 3_766
O1 Pr1 O6 140.00(7) . 3_766
Pr1 O1W H1WA 80(3) . .
Pr1 O1W H1WB 62(4) . .
H1WA O1W H1WB 109(2) . .
C11 O1 Pr1 90.69(17) . .
C2 C1 C10 120.6(3) . .
C2 C1 C11 118.3(3) . .
C10 C1 C11 121.1(3) . .
C27 N1 C26 108.2(3) . .
C27 N1 H1A 125.9 . .
C26 N1 H1A 125.9 . .
C11 O2 Pr1 98.32(18) . .
C1 C2 C3 119.8(3) . .
C1 C2 H2B 120.1 . .
C3 C2 H2B 120.1 . .
C27 N2 C25 108.3(3) . .
C27 N2 H2A 125.8 . .
C25 N2 H2A 125.8 . .
H2WA O2W H2WB 105(2) . .
C12 O3 Pr1 97.0(2) . 2_645
C4 C3 C2 122.6(3) . .
C4 C3 H3A 118.7 . .
C2 C3 H3A 118.7 . .
C28 N3 C29 105.8(3) . .
C12 O4 Pr1 91.6(2) . 2_645
C3 C4 C5 119.1(3) . .
C3 C4 C12 117.3(3) . .
C5 C4 C12 123.5(3) . .
C28 N4 C30 106.9(3) . .
C28 N4 H4A 126.5 . .
C30 N4 H4A 126.5 . .
C23 O5 Pr1 95.56(18) . 3_766
C6 C5 C4 123.6(3) . .
C6 C5 C10 118.1(3) . .
C4 C5 C10 118.3(3) . .
C23 O6 Pr1 144.96(18) . .
C23 O6 Pr1 92.25(17) . 3_766
Pr1 O6 Pr1 101.57(7) . 3_766
C7 C6 C5 120.9(3) . .
C7 C6 H6A 119.6 . .
C5 C6 H6A 119.6 . .
C24 O7 Pr1 133.45(19) . 4_565
C6 C7 C8 120.4(3) . .
C6 C7 H7A 119.8 . .
C8 C7 H7A 119.8 . .
C24 O8 Pr1 139.26(18) . 2_745
C9 C8 C7 120.9(3) . .
C9 C8 H8A 119.5 . .
C7 C8 H8A 119.5 . .
C8 C9 C10 121.0(3) . .
C8 C9 H9A 119.5 . .
C10 C9 H9A 119.5 . .
C9 C10 C1 121.8(3) . .
C9 C10 C5 118.7(3) . .
C1 C10 C5 119.5(3) . .
O1 C11 O2 120.4(3) . .
O1 C11 C1 122.5(3) . .
O2 C11 C1 117.1(3) . .
O4 C12 O3 119.8(3) . .
O4 C12 C4 119.5(3) . .
O3 C12 C4 120.6(3) . .
C14 C13 C22 119.8(3) . .
C14 C13 C23 115.9(3) . .
C22 C13 C23 124.2(2) . .
C13 C14 C15 121.3(3) . .
C13 C14 H14A 119.3 . .
C15 C14 H14A 119.3 . .
C16 C15 C14 120.4(3) . .
C16 C15 H15A 119.8 . .
C14 C15 H15A 119.8 . .
C15 C16 C17 120.1(3) . .
C15 C16 C24 119.4(3) . .
C17 C16 C24 120.4(3) . .
C16 C17 C18 121.2(3) . .
C16 C17 C22 119.9(3) . .
C18 C17 C22 118.9(3) . .
C19 C18 C17 122.1(3) . .
C19 C18 H18A 119.0 . .
C17 C18 H18A 119.0 . .
C18 C19 C20 118.8(3) . .
C18 C19 H19A 120.6 . .
C20 C19 H19A 120.6 . .
C21 C20 C19 121.0(3) . .
C21 C20 H20A 119.5 . .
C19 C20 H20A 119.5 . .
C20 C21 C22 121.3(3) . .
C20 C21 H21A 119.4 . .
C22 C21 H21A 119.4 . .
C21 C22 C13 123.5(3) . .
C21 C22 C17 117.9(3) . .
C13 C22 C17 118.5(3) . .
O5 C23 O6 121.4(3) . .
O5 C23 C13 117.9(3) . .
O6 C23 C13 120.7(3) . .
O8 C24 O7 126.2(3) . .
O8 C24 C16 116.8(2) . .
O7 C24 C16 117.0(2) . .
C26 C25 N2 107.0(3) . .
C26 C25 H25A 126.5 . .
N2 C25 H25A 126.5 . .
C25 C26 N1 107.8(3) . .
C25 C26 H26A 126.1 . .
N1 C26 H26A 126.1 . .
N2 C27 N1 108.7(3) . .
N2 C27 C28 125.5(3) . .
N1 C27 C28 125.8(3) . .
N3 C28 N4 111.0(3) . .
N3 C28 C27 126.5(3) . .
N4 C28 C27 122.5(3) . .
C30 C29 N3 109.6(3) . .
C30 C29 H29A 125.2 . .
N3 C29 H29A 125.2 . .
C29 C30 N4 106.6(3) . .
C29 C30 H30A 126.7 . .
N4 C30 H30A 126.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pr1 O8 2.489(2) 2_755
Pr1 O7 2.490(2) 4_566
Pr1 O6 2.504(2) .
Pr1 O2 2.507(2) .
Pr1 O3 2.509(3) 2_655
Pr1 O1W 2.625(3) .
Pr1 O4 2.631(3) 2_655
Pr1 O5 2.636(2) 3_766
Pr1 O1 2.678(2) .
Pr1 O6 2.689(2) 3_766
O1W H1WA 0.820(16) .
O1W H1WB 0.827(17) .
O1 C11 1.246(4) .
C1 C2 1.357(5) .
C1 C10 1.439(4) .
C1 C11 1.507(4) .
N1 C27 1.330(4) .
N1 C26 1.373(4) .
N1 H1A 0.8600 .
O2 C11 1.266(4) .
C2 C3 1.408(4) .
C2 H2B 0.9300 .
N2 C27 1.320(4) .
N2 C25 1.387(5) .
N2 H2A 0.8600 .
O2W H2WA 0.861(16) .
O2W H2WB 0.822(17) .
O3 C12 1.258(4) .
O3 Pr1 2.509(3) 2_645
C3 C4 1.381(4) .
C3 H3A 0.9300 .
N3 C28 1.306(4) .
N3 C29 1.383(4) .
O4 C12 1.243(4) .
O4 Pr1 2.631(3) 2_645
C4 C5 1.436(5) .
C4 C12 1.512(4) .
N4 C28 1.353(4) .
N4 C30 1.369(5) .
N4 H4A 0.8600 .
O5 C23 1.243(4) .
O5 Pr1 2.636(2) 3_766
C5 C6 1.421(4) .
C5 C10 1.436(4) .
O6 C23 1.275(4) .
O6 Pr1 2.689(2) 3_766
C6 C7 1.384(5) .
C6 H6A 0.9300 .
O7 C24 1.262(4) .
O7 Pr1 2.490(2) 4_565
C7 C8 1.396(5) .
C7 H7A 0.9300 .
O8 C24 1.247(4) .
O8 Pr1 2.489(2) 2_745
C8 C9 1.355(5) .
C8 H8A 0.9300 .
C9 C10 1.429(5) .
C9 H9A 0.9300 .
C13 C14 1.376(4) .
C13 C22 1.426(4) .
C13 C23 1.515(4) .
C14 C15 1.409(4) .
C14 H14A 0.9300 .
C15 C16 1.376(4) .
C15 H15A 0.9300 .
C16 C17 1.410(4) .
C16 C24 1.517(4) .
C17 C18 1.415(4) .
C17 C22 1.437(4) .
C18 C19 1.354(5) .
C18 H18A 0.9300 .
C19 C20 1.433(5) .
C19 H19A 0.9300 .
C20 C21 1.356(5) .
C20 H20A 0.9300 .
C21 C22 1.417(4) .
C21 H21A 0.9300 .
C25 C26 1.328(6) .
C25 H25A 0.9300 .
C26 H26A 0.9300 .
C27 C28 1.452(4) .
C29 C30 1.335(6) .
C29 H29A 0.9300 .
C30 H30A 0.9300 .
