#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:47:07 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179128 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/90/4309051.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_4309051
loop_
_publ_author_name
'Yuan-Zhu Zhang'
'Song Gao'
'Zhe-Ming Wang'
'Gang Su'
'Hao-Ling Sun'
'Feng Pan'
_publ_contact_author_address
;
State Key Lab of Rare Earth Materials Chemistry and Applications &
PKU-HKU Joint Lab on Rare Earth Materials and Bioinorganic Chemistry,
College of Chemistry and Molecular Engineering,
Peking University,
Beijing 100871,
China
;
_publ_contact_author_email       gaosong@pku.edu.cn
_publ_contact_author_fax         86-(10)-62751708
_publ_contact_author_name        'Prof. Song Gao'
_publ_contact_author_phone       86-(10)-62756320
_publ_section_title
;
Rational Synthesis and Magnetic Properties of a Family of Low-Dimensional
Heterometallic Cr-Mn Complexes Based on the Versatile Building Block
[Cr(2,2'-bipyridine)(CN)4]-
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4534
_journal_page_last               4545
_journal_paper_doi               10.1021/ic0484194
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C38 H28 Cr2 Mn N14 O2'
_chemical_formula_weight         871.68
_chemical_name_common            1D-Cr(bpy)Mn-bpy
_chemical_name_systematic
;
?
;
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.120(3)
_cell_length_b                   7.9897(16)
_cell_length_c                   29.789(6)
_cell_measurement_reflns_used    70448
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      3.395
_cell_volume                     4074.6(14)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor, 1997)'
_computing_data_collection       'KappaCCD (Nonius B. V., 1998)'
_computing_data_reduction
'HKL Denzo (Otwinowski & Minor, 1997) & maXus (Mackay et al., 1998)'
_computing_molecular_graphics    'Bruker SHELXTL V5.1 (Sheldrick, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0.76
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'NONIUS KappaCCD'
_diffrn_measurement_method       CCD
_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  0.0754
_diffrn_reflns_av_sigmaI/netI    0.0731
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            57915
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.48
_exptl_absorpt_coefficient_mu    0.881
_exptl_absorpt_correction_T_max  0.947
_exptl_absorpt_correction_T_min  0.783
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(Blessing, 1995, 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.421
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1772
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.52
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.527
_refine_diff_density_min         -0.238
_refine_diff_density_rms         0.059
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.935
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     516
_refine_ls_number_reflns         9316
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.935
_refine_ls_R_factor_all          0.0825
_refine_ls_R_factor_gt           0.0402
_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)+(0.0567P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0912
_refine_ls_wR_factor_ref         0.1014
_reflns_number_gt                6052
_reflns_number_total             9316
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0484194si20041117_040813_3.cif
_cod_data_source_block           2
_cod_original_cell_volume        4074.7(14)
_cod_database_code               4309051
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, 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
Mn1 Mn 0.26347(3) 0.99459(7) 0.345515(19) 0.03073(13) Uani 1 1 d . . .
Cr1 Cr 0.42430(3) 0.77427(7) 0.48170(2) 0.03471(15) Uani 1 1 d . . .
Cr2 Cr 0.37609(3) 0.48752(6) 0.24129(2) 0.03114(13) Uani 1 1 d . . .
O1 O 0.23712(16) 1.2065(4) 0.39234(10) 0.0546(8) Uani 1 1 d . . .
O2 O 0.2410(5) 0.9638(13) 0.1739(4) 0.313(6) Uani 1 1 d . . .
N1 N 0.29798(18) 0.7754(4) 0.30205(11) 0.0407(8) Uani 1 1 d . . .
N2 N 0.2205(2) 0.3928(6) 0.18815(14) 0.0753(12) Uani 1 1 d . . .
N3 N 0.4067(2) 0.7815(5) 0.17065(13) 0.0689(11) Uani 1 1 d . . .
N4 N 0.32149(16) 0.1813(4) 0.30412(11) 0.0400(8) Uani 1 1 d . . .
N5 N 0.36048(18) 0.9430(4) 0.39162(11) 0.0441(8) Uani 1 1 d . . .
N6 N 0.5982(2) 0.7523(5) 0.44346(14) 0.0594(10) Uani 1 1 d . . .
N7 N 0.4914(3) 1.0801(6) 0.53753(16) 0.0861(14) Uani 1 1 d . . .
N8 N 0.3535(2) 0.4449(5) 0.43238(15) 0.0676(11) Uani 1 1 d . . .
N9 N 0.48013(16) 0.5023(3) 0.27651(10) 0.0341(7) Uani 1 1 d . . .
N10 N 0.44746(19) 0.3331(4) 0.20368(11) 0.0407(8) Uani 1 1 d . . .
N11 N 0.31863(18) 0.8118(4) 0.51452(11) 0.0454(8) Uani 1 1 d . . .
N12 N 0.4404(2) 0.6306(4) 0.53807(11) 0.0450(8) Uani 1 1 d . . .
N13 N 0.17346(16) 0.8379(4) 0.38183(10) 0.0376(7) Uani 1 1 d . . .
N14 N 0.14851(17) 1.0297(4) 0.30976(11) 0.0359(7) Uani 1 1 d . . .
C1 C 0.3226(2) 0.6687(5) 0.28104(13) 0.0359(9) Uani 1 1 d . . .
C2 C 0.2752(2) 0.4342(5) 0.20663(14) 0.0441(10) Uani 1 1 d . . .
C3 C 0.3987(2) 0.6779(5) 0.19656(13) 0.0414(9) Uani 1 1 d . . .
C4 C 0.3421(2) 0.2927(5) 0.28296(13) 0.0338(8) Uani 1 1 d . . .
C5 C 0.3881(2) 0.8965(5) 0.42445(14) 0.0375(9) Uani 1 1 d . . .
C6 C 0.5369(2) 0.7510(5) 0.45676(13) 0.0428(9) Uani 1 1 d . . .
C7 C 0.4660(2) 0.9801(5) 0.51586(15) 0.0480(10) Uani 1 1 d . . .
C8 C 0.3812(2) 0.5590(6) 0.44956(14) 0.0453(10) Uani 1 1 d . . .
C9 C 0.4902(2) 0.5762(5) 0.31601(13) 0.0417(9) Uani 1 1 d . . .
H9 H 0.4475 0.6262 0.3300 0.050 Uiso 1 1 calc R . .
C10 C 0.5628(2) 0.5810(5) 0.33720(15) 0.0552(11) Uani 1 1 d . . .
H10 H 0.5685 0.6330 0.3649 0.066 Uiso 1 1 calc R . .
C11 C 0.6256(2) 0.5078(6) 0.31649(19) 0.0604(14) Uani 1 1 d . . .
H11 H 0.6750 0.5132 0.3294 0.073 Uiso 1 1 calc R . .
C12 C 0.6147(2) 0.4268(6) 0.27645(17) 0.0532(12) Uani 1 1 d . . .
H12 H 0.6566 0.3741 0.2625 0.064 Uiso 1 1 calc R . .
C13 C 0.5423(2) 0.4226(5) 0.25669(13) 0.0394(9) Uani 1 1 d . . .
C14 C 0.5244(2) 0.3330(5) 0.21548(13) 0.0425(10) Uani 1 1 d . . .
C15 C 0.5796(3) 0.2453(5) 0.19080(17) 0.0611(13) Uani 1 1 d . . .
H15 H 0.6321 0.2470 0.1990 0.073 Uiso 1 1 calc R . .
C16 C 0.5551(4) 0.1559(6) 0.15398(19) 0.0746(16) Uani 1 1 d . . .
H16 H 0.5917 0.0969 0.1372 0.090 Uiso 1 1 calc R . .
C17 C 0.4793(3) 0.1516(6) 0.14168(17) 0.0699(15) Uani 1 1 d . . .
H17 H 0.4629 0.0883 0.1172 0.084 Uiso 1 1 calc R . .
C18 C 0.4260(3) 0.2460(5) 0.16710(15) 0.0548(12) Uani 1 1 d . . .
H18 H 0.3739 0.2483 0.1583 0.066 Uiso 1 1 calc R . .
C19 C 0.2635(2) 0.9192(6) 0.50361(16) 0.0596(12) Uani 1 1 d . . .
H19 H 0.2709 0.9846 0.4781 0.071 Uiso 1 1 calc R . .
C20 C 0.1960(3) 0.9404(8) 0.5275(2) 0.0812(16) Uani 1 1 d . . .
H20 H 0.1581 1.0159 0.5179 0.097 Uiso 1 1 calc R . .
C21 C 0.1851(3) 0.8473(8) 0.5660(2) 0.0846(17) Uani 1 1 d . . .
H21 H 0.1396 0.8576 0.5829 0.101 Uiso 1 1 calc R . .
C22 C 0.2431(3) 0.7393(7) 0.57886(17) 0.0731(15) Uani 1 1 d . . .
H22 H 0.2376 0.6774 0.6051 0.088 Uiso 1 1 calc R . .
C23 C 0.3096(3) 0.7215(6) 0.55315(14) 0.0558(12) Uani 1 1 d . . .
C24 C 0.3768(3) 0.6131(5) 0.56411(13) 0.0508(11) Uani 1 1 d . . .
C25 C 0.3775(4) 0.5041(7) 0.60019(17) 0.0782(16) Uani 1 1 d . . .
H25 H 0.3332 0.4898 0.6179 0.094 Uiso 1 1 calc R . .
C26 C 0.4445(4) 0.4180(7) 0.60936(19) 0.0901(19) Uani 1 1 d . . .
H26 H 0.4453 0.3419 0.6330 0.108 Uiso 1 1 calc R . .
C27 C 0.5092(4) 0.4417(7) 0.58476(17) 0.0765(16) Uani 1 1 d . . .
H27 H 0.5556 0.3881 0.5922 0.092 Uiso 1 1 calc R . .
C28 C 0.5056(3) 0.5455(6) 0.54874(15) 0.0601(12) Uani 1 1 d . . .
H28 H 0.5497 0.5581 0.5308 0.072 Uiso 1 1 calc R . .
C29 C 0.1890(2) 0.7377(5) 0.41574(13) 0.0453(10) Uani 1 1 d . . .
H29 H 0.2410 0.7135 0.4221 0.054 Uiso 1 1 calc R . .
C30 C 0.1326(3) 0.6675(6) 0.44207(16) 0.0608(13) Uani 1 1 d . . .
H30 H 0.1459 0.5948 0.4652 0.073 Uiso 1 1 calc R . .
C31 C 0.0564(3) 0.7060(6) 0.43379(16) 0.0611(13) Uani 1 1 d . . .
H31 H 0.0172 0.6669 0.4527 0.073 Uiso 1 1 calc R . .
C32 C 0.0384(2) 0.8018(5) 0.39769(15) 0.0488(11) Uani 1 1 d . . .
H32 H -0.0135 0.8241 0.3907 0.059 Uiso 1 1 calc R . .
C33 C 0.0983(2) 0.8671(4) 0.37105(13) 0.0383(10) Uani 1 1 d . . .
C34 C 0.0847(2) 0.9610(4) 0.32916(13) 0.0375(9) Uani 1 1 d . . .
C35 C 0.0102(2) 0.9737(5) 0.30915(16) 0.0480(11) Uani 1 1 d . . .
H35 H -0.0336 0.9296 0.3233 0.058 Uiso 1 1 calc R . .
C36 C 0.0037(3) 1.0523(6) 0.26837(17) 0.0555(12) Uani 1 1 d . . .
H36 H -0.0448 1.0599 0.2544 0.067 Uiso 1 1 calc R . .
C37 C 0.0688(2) 1.1202(5) 0.24804(15) 0.0524(11) Uani 1 1 d . . .
H37 H 0.0650 1.1731 0.2203 0.063 Uiso 1 1 calc R . .
C38 C 0.1397(2) 1.1076(5) 0.26982(14) 0.0468(10) Uani 1 1 d . . .
H38 H 0.1835 1.1550 0.2564 0.056 Uiso 1 1 calc R . .
H1W H 0.1922 1.2281 0.4080 0.036(10) Uiso 1 1 d R . .
H2W H 0.2663 1.2564 0.4076 0.076(18) Uiso 1 1 d 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'
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'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 '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
_geom_angle_publ_flag
N4 Mn1 N5 97.93(12) 1_565 . ?
N4 Mn1 O1 85.79(12) 1_565 . ?
N5 Mn1 O1 84.52(12) . . ?
N4 Mn1 N14 92.60(11) 1_565 . ?
N5 Mn1 N14 168.38(12) . . ?
O1 Mn1 N14 91.39(11) . . ?
N4 Mn1 N1 95.01(12) 1_565 . ?
N5 Mn1 N1 90.87(12) . . ?
O1 Mn1 N1 175.39(12) . . ?
N14 Mn1 N1 93.10(11) . . ?
N4 Mn1 N13 164.17(11) 1_565 . ?
N5 Mn1 N13 96.45(12) . . ?
O1 Mn1 N13 89.04(11) . . ?
N14 Mn1 N13 72.56(11) . . ?
N1 Mn1 N13 91.33(11) . . ?
N12 Cr1 C5 169.24(14) . . ?
N12 Cr1 C7 89.77(15) . . ?
C5 Cr1 C7 97.74(16) . . ?
N12 Cr1 C6 96.77(14) . . ?
C5 Cr1 C6 91.48(15) . . ?
C7 Cr1 C6 85.78(16) . . ?
N12 Cr1 N11 79.22(14) . . ?
C5 Cr1 N11 93.37(14) . . ?
C7 Cr1 N11 87.37(15) . . ?
C6 Cr1 N11 172.09(15) . . ?
N12 Cr1 C8 87.84(15) . . ?
C5 Cr1 C8 84.54(16) . . ?
C7 Cr1 C8 177.51(17) . . ?
C6 Cr1 C8 95.16(16) . . ?
N11 Cr1 C8 91.52(15) . . ?
C2 Cr2 C3 89.18(16) . . ?
C2 Cr2 N10 95.78(15) . . ?
C3 Cr2 N10 88.82(14) . . ?
C2 Cr2 N9 171.32(14) . . ?
C3 Cr2 N9 97.14(14) . . ?
N10 Cr2 N9 78.48(13) . . ?
C2 Cr2 C4 84.82(15) . . ?
C3 Cr2 C4 173.97(16) . . ?
N10 Cr2 C4 92.41(13) . . ?
N9 Cr2 C4 88.89(12) . . ?
C2 Cr2 C1 93.43(15) . . ?
C3 Cr2 C1 86.40(14) . . ?
N10 Cr2 C1 169.56(14) . . ?
N9 Cr2 C1 92.91(13) . . ?
C4 Cr2 C1 93.32(15) . . ?
C1 N1 Mn1 173.5(3) . . ?
C4 N4 Mn1 170.0(3) . 1_545 ?
C5 N5 Mn1 154.9(3) . . ?
C9 N9 C13 119.1(3) . . ?
C9 N9 Cr2 125.9(2) . . ?
C13 N9 Cr2 115.0(3) . . ?
C18 N10 C14 118.2(3) . . ?
C18 N10 Cr2 126.0(3) . . ?
C14 N10 Cr2 115.6(3) . . ?
C19 N11 C23 118.1(4) . . ?
C19 N11 Cr1 127.0(3) . . ?
C23 N11 Cr1 114.7(3) . . ?
C28 N12 C24 118.9(4) . . ?
C28 N12 Cr1 126.0(3) . . ?
C24 N12 Cr1 114.9(3) . . ?
C29 N13 C33 118.8(3) . . ?
C29 N13 Mn1 124.5(3) . . ?
C33 N13 Mn1 116.2(2) . . ?
C38 N14 C34 118.3(3) . . ?
C38 N14 Mn1 124.8(3) . . ?
C34 N14 Mn1 116.9(2) . . ?
N1 C1 Cr2 174.8(3) . . ?
N2 C2 Cr2 175.0(4) . . ?
N3 C3 Cr2 175.7(4) . . ?
N4 C4 Cr2 176.5(3) . . ?
N5 C5 Cr1 169.2(3) . . ?
N6 C6 Cr1 174.3(4) . . ?
N7 C7 Cr1 172.8(4) . . ?
N8 C8 Cr1 176.2(4) . . ?
N9 C9 C10 121.9(4) . . ?
C11 C10 C9 119.0(4) . . ?
C12 C11 C10 119.1(4) . . ?
C11 C12 C13 120.6(4) . . ?
C12 C13 N9 120.3(4) . . ?
C12 C13 C14 124.4(4) . . ?
N9 C13 C14 115.3(3) . . ?
N10 C14 C15 121.5(4) . . ?
N10 C14 C13 114.9(3) . . ?
C15 C14 C13 123.5(4) . . ?
C16 C15 C14 118.5(5) . . ?
C17 C16 C15 121.6(5) . . ?
C16 C17 C18 117.7(5) . . ?
N10 C18 C17 122.5(4) . . ?
N11 C19 C20 123.9(5) . . ?
C19 C20 C21 118.7(5) . . ?
C22 C21 C20 118.3(5) . . ?
C21 C22 C23 120.5(5) . . ?
N11 C23 C22 120.4(4) . . ?
N11 C23 C24 114.1(4) . . ?
C22 C23 C24 125.5(4) . . ?
N12 C24 C25 120.4(4) . . ?
N12 C24 C23 116.2(4) . . ?
C25 C24 C23 123.3(4) . . ?
C26 C25 C24 118.7(5) . . ?
C27 C26 C25 120.8(5) . . ?
C26 C27 C28 118.7(5) . . ?
N12 C28 C27 122.2(5) . . ?
N13 C29 C30 123.2(4) . . ?
C31 C30 C29 118.7(4) . . ?
C32 C31 C30 119.3(4) . . ?
C31 C32 C33 119.6(4) . . ?
N13 C33 C32 120.1(4) . . ?
N13 C33 C34 116.2(3) . . ?
C32 C33 C34 123.7(4) . . ?
N14 C34 C35 121.4(4) . . ?
N14 C34 C33 116.2(3) . . ?
C35 C34 C33 122.4(4) . . ?
C36 C35 C34 118.7(4) . . ?
C35 C36 C37 120.2(4) . . ?
C38 C37 C36 118.4(4) . . ?
N14 C38 C37 123.1(4) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mn1 N4 2.175(3) 1_565 ?
Mn1 N5 2.194(3) . ?
Mn1 O1 2.239(3) . ?
Mn1 N14 2.255(3) . ?
Mn1 N1 2.257(3) . ?
Mn1 N13 2.261(3) . ?
Cr1 N12 2.053(3) . ?
Cr1 C5 2.061(4) . ?
Cr1 C7 2.062(5) . ?
Cr1 C6 2.074(4) . ?
Cr1 N11 2.078(3) . ?
Cr1 C8 2.102(5) . ?
Cr2 C2 2.057(4) . ?
Cr2 C3 2.059(4) . ?
Cr2 N10 2.067(3) . ?
Cr2 N9 2.071(3) . ?
Cr2 C4 2.074(4) . ?
Cr2 C1 2.083(4) . ?
N1 C1 1.138(4) . ?
N2 C2 1.136(5) . ?
N3 C3 1.140(5) . ?
N4 C4 1.146(4) . ?
N4 Mn1 2.175(3) 1_545 ?
N5 C5 1.148(5) . ?
N6 C6 1.123(5) . ?
N7 C7 1.116(5) . ?
N8 C8 1.148(6) . ?
N9 C9 1.328(5) . ?
N9 C13 1.374(5) . ?
N10 C18 1.344(5) . ?
N10 C14 1.363(5) . ?
N11 C19 1.317(5) . ?
N11 C23 1.367(5) . ?
N12 C28 1.345(5) . ?
N12 C24 1.345(5) . ?
N13 C29 1.316(5) . ?
N13 C33 1.346(5) . ?
N14 C38 1.351(5) . ?
N14 C34 1.352(5) . ?
C9 C10 1.394(5) . ?
C10 C11 1.371(6) . ?
C11 C12 1.370(7) . ?
C12 C13 1.372(5) . ?
C13 C14 1.454(5) . ?
C14 C15 1.388(5) . ?
C15 C16 1.375(7) . ?
C16 C17 1.350(7) . ?
C17 C18 1.405(6) . ?
C19 C20 1.367(6) . ?
C20 C21 1.381(7) . ?
C21 C22 1.370(7) . ?
C22 C23 1.380(6) . ?
C23 C24 1.476(6) . ?
C24 C25 1.383(6) . ?
C25 C26 1.365(8) . ?
C26 C27 1.341(8) . ?
C27 C28 1.357(7) . ?
C29 C30 1.365(6) . ?
C30 C31 1.363(6) . ?
C31 C32 1.356(6) . ?
C32 C33 1.398(5) . ?
C33 C34 1.475(5) . ?
C34 C35 1.412(5) . ?
C35 C36 1.372(6) . ?
C36 C37 1.380(6) . ?
C37 C38 1.380(5) . ?
