#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:22:51 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180426 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/95/7209579.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_7209579
loop_
_publ_author_name
'Guo, Xiang-Guang'
'Yang, Wen-Bin'
'Wu, Xiao-Yuan'
'Zhang, Qi-Kai'
'Lin, Lang'
'Yu, RongMin'
'Lu, Can-Zhong'
_publ_section_title
;
 Stoichiometry, temperature, solvent, metal-directed syntheses of
 metal--organic frameworks based on flexible V-shaped
 methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate
 acids
;
_journal_issue                   18
_journal_name_full               CrystEngComm
_journal_page_first              3654
_journal_paper_doi               10.1039/c3ce00048f
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C23 H21 Cd N4 O4'
_chemical_formula_weight         529.84
_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                 120.074(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.3025(12)
_cell_length_b                   14.0277(3)
_cell_length_c                   19.7191(7)
_cell_measurement_temperature    293(2)
_cell_volume                     4859.9(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'superNova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0457
_diffrn_reflns_av_sigmaI/netI    0.0413
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9414
_diffrn_reflns_theta_full        74.40
_diffrn_reflns_theta_max         74.40
_diffrn_reflns_theta_min         4.03
_exptl_absorpt_coefficient_mu    7.488
_exptl_absorpt_correction_T_max  0.3625
_exptl_absorpt_correction_T_min  0.3159
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2136
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.375
_refine_diff_density_min         -2.017
_refine_diff_density_rms         0.144
_refine_ls_extinction_coef       0.00041(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         4821
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0924
_refine_ls_R_factor_gt           0.0823
_refine_ls_shift/su_max          0.028
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1807P)²+4.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2423
_refine_ls_wR_factor_ref         0.2654
_reflns_number_gt                3902
_reflns_number_total             4821
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce00048f.txt
_cod_data_source_block           a2
_cod_original_sg_symbol_H-M      c2/c
_cod_database_code               7209579
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.54464(3) 0.24095(4) 0.04551(2) 0.0731(3) Uani 1 1 d . . .
N4 N 0.9086(4) -0.0445(5) 0.3903(4) 0.0798(16) Uani 1 1 d . A .
H4A H 0.9523 -0.0382 0.3936 0.096 Uiso 1 1 calc R . .
N2 N 0.6138(3) 0.0481(5) 0.1277(3) 0.0751(15) Uani 1 1 d . . .
H2A H 0.5933 0.0248 0.0812 0.090 Uiso 1 1 calc R A .
O1A O 0.5690(13) 0.2310(16) -0.0525(12) 0.085(5) Uani 0.47(3) 1 d PU A 1
O3A O 0.4286(14) 0.223(2) -0.0017(16) 0.120(8) Uani 0.47(3) 1 d P A 1
O4A O 0.4713(8) 0.3359(12) 0.0853(8) 0.090(5) Uani 0.47(3) 1 d PU A 1
O1B O 0.5340(14) 0.2478(13) -0.0700(11) 0.090(5) Uani 0.53(3) 1 d P A 2
O3B O 0.4189(8) 0.1629(19) -0.0076(10) 0.104(6) Uani 0.53(3) 1 d P A 2
O4B O 0.4312(13) 0.2868(16) 0.0591(17) 0.111(10) Uani 0.53(3) 1 d P A 2
N1 N 0.6114(3) 0.1401(4) 0.1431(3) 0.0687(13) Uani 1 1 d . A .
C1 C 0.6571(6) 0.2412(5) 0.2600(5) 0.083(2) Uani 1 1 d . . .
H1A H 0.6333 0.2897 0.2207 0.124 Uiso 1 1 calc R . .
H1B H 0.7101 0.2562 0.2931 0.124 Uiso 1 1 calc R . .
H1C H 0.6329 0.2384 0.2911 0.124 Uiso 1 1 calc R . .
C16 C 0.5133(3) 0.0572(4) -0.2083(3) 0.0562(12) Uani 1 1 d . . .
C15 C 0.5112(6) 0.2294(6) -0.2102(5) 0.084(2) Uani 1 1 d . . .
H15A H 0.5179 0.2872 -0.1845 0.100 Uiso 1 1 calc R . .
C3 C 0.6760(3) 0.0583(5) 0.2554(3) 0.0625(14) Uani 1 1 d . . .
C14 C 0.5231(3) 0.1470(5) -0.1698(3) 0.0665(15) Uani 1 1 d . A .
O2 O 0.5444(4) 0.0912(5) -0.0441(3) 0.1031(18) Uani 1 1 d U A .
C8 C 0.7949(4) -0.0141(5) 0.3664(3) 0.0662(14) Uani 1 1 d . . .
C17 C 0.5273(3) -0.0310(5) -0.1702(3) 0.0655(15) Uani 1 1 d . . .
H17A H 0.5460 -0.0320 -0.1165 0.079 Uiso 1 1 calc R . .
C2 C 0.6495(3) 0.1474(5) 0.2216(3) 0.0635(14) Uani 1 1 d . A .
N3 N 0.8859(4) -0.1234(5) 0.4118(4) 0.0880(18) Uani 1 1 d . . .
C7 C 0.8546(4) 0.0230(5) 0.3629(3) 0.0692(15) Uani 1 1 d . A .
C6 C 0.8658(5) 0.1190(6) 0.3368(6) 0.099(3) Uani 1 1 d . . .
H6A H 0.9159 0.1225 0.3433 0.148 Uiso 1 1 calc R A .
H6B H 0.8603 0.1676 0.3678 0.148 Uiso 1 1 calc R . .
H6C H 0.8285 0.1283 0.2826 0.148 Uiso 1 1 calc R . .
C4 C 0.6520(3) -0.0039(5) 0.1935(4) 0.0732(16) Uani 1 1 d . A .
C18 C 0.5144(4) -0.1158(5) -0.2092(4) 0.0688(15) Uani 1 1 d . . .
H18A H 0.5246 -0.1731 -0.1820 0.083 Uiso 1 1 calc R . .
C13 C 0.5431(4) 0.1569(6) -0.0844(4) 0.0754(19) Uani 1 1 d . . .
C9 C 0.8159(5) -0.1049(6) 0.3968(4) 0.0816(19) Uani 1 1 d . A .
C5 C 0.7181(4) 0.0340(6) 0.3400(4) 0.0790(18) Uani 1 1 d . A .
H5A H 0.6869 -0.0082 0.3513 0.095 Uiso 1 1 calc R . .
H5B H 0.7266 0.0918 0.3703 0.095 Uiso 1 1 calc R . .
C11 C 0.6608(5) -0.1077(7) 0.1908(6) 0.105(3) Uani 1 1 d . . .
H11A H 0.6368 -0.1283 0.1372 0.157 Uiso 1 1 calc R A .
H11B H 0.6375 -0.1392 0.2166 0.157 Uiso 1 1 calc R . .
H11C H 0.7140 -0.1234 0.2167 0.157 Uiso 1 1 calc R . .
C10 C 0.7737(8) -0.1795(8) 0.4118(8) 0.137(4) Uani 1 1 d . . .
H10A H 0.8052 -0.2351 0.4328 0.205 Uiso 1 1 calc R A .
H10B H 0.7285 -0.1958 0.3637 0.205 Uiso 1 1 calc R . .
H10C H 0.7599 -0.1563 0.4489 0.205 Uiso 1 1 calc R . .
C20 C 0.4225(13) 0.289(2) 0.0414(16) 0.067(8) Uani 0.50 1 d P A .
C33 C 0.1952(4) 0.2887(6) -0.0003(4) 0.0730(17) Uani 1 1 d . . .
C32 C 0.2327(7) 0.3728(11) 0.0268(6) 0.067(3) Uani 0.50 1 d P . .
C30 C 0.3411(7) 0.2882(12) 0.0270(7) 0.067(3) Uani 0.50 1 d P . .
C31 C 0.3110(6) 0.3743(10) 0.0430(6) 0.064(3) Uani 0.50 1 d P A .
C41 C 0.3519(10) 0.4599(13) 0.0691(12) 0.095(5) Uani 0.50 1 d P . .
H41A H 0.4012 0.4624 0.0775 0.114 Uiso 0.50 1 calc PR A .
C44 C 0.2048(10) 0.4608(15) 0.0371(11) 0.097(5) Uani 0.50 1 d P A .
H44A H 0.1536 0.4648 0.0222 0.117 Uiso 0.50 1 calc PR . .
C42 C 0.3220(13) 0.5385(15) 0.0822(19) 0.139(9) Uani 0.50 1 d P A .
H42A H 0.3515 0.5932 0.1018 0.166 Uiso 0.50 1 calc PR . .
C43 C 0.2478(10) 0.5379(16) 0.0668(18) 0.142(11) Uani 0.50 1 d P . .
H43A H 0.2278 0.5919 0.0772 0.171 Uiso 0.50 1 calc PR A .
C56 C 0.3906(9) 0.2238(16) 0.0163(8) 0.073(4) Uani 0.50 1 d P . .
C55 C 0.2796(10) 0.2911(13) 0.0144(10) 0.080(4) Uani 0.50 1 d P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd 0.1185 4.6533 '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
O1B Cd1 O3A 92.3(10) . .
O1B Cd1 N1 129.2(6) . .
O3A Cd1 N1 112.1(10) . .
O1B Cd1 N3 93.9(5) . 4_655
O3A Cd1 N3 128.7(9) . 4_655
N1 Cd1 N3 102.6(2) . 4_655
O1B Cd1 O1A 17.2(5) . .
O3A Cd1 O1A 107.5(9) . .
N1 Cd1 O1A 114.1(6) . .
N3 Cd1 O1A 90.4(6) 4_655 .
O1B Cd1 O4A 124.3(7) . .
O3A Cd1 O4A 57.4(6) . .
N1 Cd1 O4A 106.2(4) . .
N3 Cd1 O4A 77.6(4) 4_655 .
O1A Cd1 O4A 139.6(7) . .
O1B Cd1 O3B 92.1(7) . .
O3A Cd1 O3B 19.4(7) . .
N1 Cd1 O3B 97.9(6) . .
N3 Cd1 O3B 147.9(6) 4_655 .
O1A Cd1 O3B 103.6(7) . .
O4A Cd1 O3B 73.0(5) . .
O1B Cd1 O4B 118.7(10) . .
O3A Cd1 O4B 35.6(9) . .
N1 Cd1 O4B 105.3(6) . .
N3 Cd1 O4B 100.3(6) 4_655 .
O1A Cd1 O4B 135.8(9) . .
O4A Cd1 O4B 23.0(6) . .
O3B Cd1 O4B 50.0(7) . .
O1B Cd1 C20 111.8(8) . .
O3A Cd1 C20 30.9(10) . .
N1 Cd1 C20 111.2(6) . .
N3 Cd1 C20 101.8(8) 4_655 .
O1A Cd1 C20 129.0(9) . .
O4A Cd1 C20 26.5(8) . .
O3B Cd1 C20 47.1(10) . .
O4B Cd1 C20 6.9(10) . .
C7 N4 N3 111.5(6) . .
N1 N2 C4 112.1(5) . .
C13 O1A Cd1 106.4(13) . .
C56 O3A C20 55(2) . .
C56 O3A Cd1 139(2) . .
C20 O3A Cd1 95(2) . .
C20 O4A C56 11.2(13) . .
C20 O4A Cd1 83.0(12) . .
C56 O4A Cd1 78.0(7) . .
C13 O1B Cd1 103.1(10) . .
C56 O3B C20 28.7(14) . .
C56 O3B Cd1 96.3(16) . .
C20 O3B Cd1 67.9(9) . .
C20 O4B C56 59(9) . .
C20 O4B C30 70(7) . .
C56 O4B C30 59.6(14) . .
C20 O4B Cd1 87(7) . .
C56 O4B Cd1 94.4(16) . .
C30 O4B Cd1 151.3(17) . .
N2 N1 C2 105.7(6) . .
N2 N1 Cd1 119.8(4) . .
C2 N1 Cd1 134.4(5) . .
C17 C16 C14 123.7(5) . .
C17 C16 C16 117.9(3) . 2_654
C14 C16 C16 118.4(3) . 2_654
C14 C15 C15 121.5(4) . 2_654
C4 C3 C2 105.4(5) . .
C4 C3 C5 126.8(7) . .
C2 C3 C5 127.7(6) . .
C15 C14 C16 120.1(5) . .
C15 C14 C13 116.2(7) . .
C16 C14 C13 123.6(6) . .
C7 C8 C9 106.7(6) . .
C7 C8 C5 126.8(6) . .
C9 C8 C5 126.5(7) . .
C18 C17 C16 122.4(5) . .
N1 C2 C3 110.2(6) . .
N1 C2 C1 120.5(7) . .
C3 C2 C1 129.3(5) . .
C9 N3 N4 105.5(6) . .
C9 N3 Cd1 130.3(6) . 4_645
N4 N3 Cd1 123.9(5) . 4_645
N4 C7 C8 106.3(6) . .
N4 C7 C6 122.5(7) . .
C8 C7 C6 131.1(7) . .
N2 C4 C3 106.7(6) . .
N2 C4 C11 121.6(7) . .
C3 C4 C11 131.7(7) . .
C17 C18 C18 119.6(3) . 2_654
O1A C13 O2 117.4(11) . .
O1A C13 O1B 29.4(10) . .
O2 C13 O1B 123.2(9) . .
O1A C13 C14 117.6(12) . .
O2 C13 C14 124.2(7) . .
O1B C13 C14 109.3(10) . .
N3 C9 C8 110.0(7) . .
N3 C9 C10 118.9(8) . .
C8 C9 C10 131.1(8) . .
C3 C5 C8 113.4(5) . .
O4B C20 O4A 54(9) . .
O4B C20 C56 107(10) . .
O4A C20 C56 157(2) . .
O4B C20 O3A 119(9) . .
O4A C20 O3A 125(2) . .
C56 C20 O3A 48(2) . .
O4B C20 C30 99(7) . .
O4A C20 C30 126(2) . .
C56 C20 C30 64.3(19) . .
O3A C20 C30 109(3) . .
O4B C20 O3B 108(9) . .
O4A C20 O3B 133.0(14) . .
C56 C20 O3B 33.4(13) . .
O3A C20 O3B 18.1(19) . .
C30 C20 O3B 97.3(19) . .
O4B C20 Cd1 87(7) . .
O4A C20 Cd1 70.4(11) . .
C56 C20 Cd1 98.0(15) . .
O3A C20 Cd1 54.5(13) . .
C30 C20 Cd1 162(2) . .
O3B C20 Cd1 65.0(7) . .
C30 C33 C55 52.6(11) 7 7
C30 C33 C32 178.4(11) 7 .
C55 C33 C32 128.3(11) 7 .
C30 C33 C55 116.5(11) 7 .
C55 C33 C55 63.9(13) 7 .
C32 C33 C55 64.5(9) . .
C30 C33 C56 58.7(10) 7 7
C55 C33 C56 111.2(13) 7 7
C32 C33 C56 120.4(11) . 7
C55 C33 C56 175.0(12) . 7
C33 C32 C44 128.9(12) . .
C33 C32 C31 115.7(12) . .
C44 C32 C31 115.3(14) . .
C33 C32 C55 64.8(10) . .
C44 C32 C55 165.4(14) . .
C31 C32 C55 51.0(9) . .
C55 C30 C33 66.1(13) . 7
C55 C30 C56 139.0(19) . .
C33 C30 C56 73.0(12) 7 .
C55 C30 C31 59.2(12) . .
C33 C30 C31 125.3(11) 7 .
C56 C30 C31 161.5(15) . .
C55 C30 C20 176.9(19) . .
C33 C30 C20 115.8(16) 7 .
C56 C30 C20 42.8(13) . .
C31 C30 C20 118.9(17) . .
C55 C30 O4B 170.9(17) . .
C33 C30 O4B 117.7(14) 7 .
C56 C30 O4B 46.5(13) . .
C31 C30 O4B 116.3(14) . .
C20 C30 O4B 10.7(17) . .
C55 C31 C41 171.3(15) . .
C55 C31 C32 69.6(11) . .
C41 C31 C32 118.3(13) . .
C55 C31 C30 48.4(11) . .
C41 C31 C30 123.6(12) . .
C32 C31 C30 118.0(13) . .
C42 C41 C31 122.1(17) . .
C43 C44 C32 123.5(15) . .
C41 C42 C43 120(2) . .
C44 C43 C42 120.4(18) . .
C20 C56 O3A 77(3) . .
C20 C56 O3B 118(2) . .
O3A C56 O3B 44(2) . .
C20 C56 C30 72.8(17) . .
O3A C56 C30 141(3) . .
O3B C56 C30 166.2(17) . .
C20 C56 O4B 14(2) . .
O3A C56 O4B 83(2) . .
O3B C56 O4B 118.8(19) . .
C30 C56 O4B 73.9(18) . .
C20 C56 C33 121.1(19) . 7
O3A C56 C33 152(2) . 7
O3B C56 C33 120.6(18) . 7
C30 C56 C33 48.3(9) . 7
O4B C56 C33 120.2(18) . 7
C20 C56 O4A 11.7(12) . .
O3A C56 O4A 76(2) . .
O3B C56 O4A 112.6(15) . .
C30 C56 O4A 79.5(12) . .
O4B C56 O4A 7.2(11) . .
C33 C56 O4A 126.7(13) 7 .
C30 C55 C33 61.2(13) . 7
C30 C55 C31 72.4(14) . .
C33 C55 C31 133.6(16) 7 .
C30 C55 C55 128(2) . 7
C33 C55 C55 66.6(14) 7 7
C31 C55 C55 159(2) . 7
C30 C55 C33 176.2(18) . .
C33 C55 C33 116.1(13) 7 .
C31 C55 C33 110.1(14) . .
C55 C55 C33 49.5(11) 7 .
C30 C55 C32 131.8(18) . .
C33 C55 C32 166.9(16) 7 .
C31 C55 C32 59.4(11) . .
C55 C55 C32 100.3(17) 7 .
C33 C55 C32 50.8(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O1B 2.180(17) .
Cd1 O3A 2.07(3) .
Cd1 N1 2.219(5) .
Cd1 N3 2.265(6) 4_655
Cd1 O1A 2.23(2) .
Cd1 O4A 2.404(12) .
Cd1 O3B 2.476(17) .
Cd1 O4B 2.53(2) .
Cd1 C20 2.532(18) .
N4 C7 1.341(9) .
N4 N3 1.348(9) .
N2 N1 1.332(9) .
N2 C4 1.346(9) .
O1A C13 1.19(2) .
O3A C56 1.00(3) .
O3A C20 1.30(4) .
O4A C20 1.14(4) .
O4A C56 2.18(3) .
O1B C13 1.339(19) .
O3B C56 1.25(3) .
O3B C20 2.00(4) .
O4B C20 0.30(5) .
O4B C56 1.21(3) .
O4B C30 1.61(2) .
N1 C2 1.344(7) .
C1 C2 1.488(10) .
C16 C17 1.401(9) .
C16 C14 1.432(9) .
C16 C16 1.450(9) 2_654
C15 C14 1.356(10) .
C15 C15 1.397(17) 2_654
C3 C4 1.376(9) .
C3 C2 1.391(9) .
C3 C5 1.485(8) .
C14 C13 1.528(7) .
O2 C13 1.208(10) .
C8 C7 1.352(9) .
C8 C9 1.381(10) .
C8 C5 1.531(9) .
C17 C18 1.368(9) .
N3 C9 1.322(10) .
N3 Cd1 2.265(6) 4_645
C7 C6 1.499(10) .
C4 C11 1.471(12) .
C18 C18 1.410(12) 2_654
C9 C10 1.475(13) .
C20 C56 1.09(4) .
C20 C30 1.53(3) .
C33 C30 1.262(18) 7
C33 C55 1.32(2) 7
C33 C32 1.360(17) .
C33 C55 1.588(19) .
C33 C56 1.617(18) 7
C32 C44 1.41(2) .
C32 C31 1.455(16) .
C32 C55 1.58(2) .
C30 C55 1.14(2) .
C30 C33 1.262(18) 7
C30 C56 1.44(3) .
C30 C31 1.46(2) .
C31 C55 1.31(2) .
C31 C41 1.40(2) .
C41 C42 1.34(3) .
C44 C43 1.33(3) .
C42 C43 1.38(3) .
C56 C33 1.617(18) 7
C55 C33 1.32(2) 7
C55 C55 1.55(4) 7
