#------------------------------------------------------------------------------
#$Date: 2024-07-05 20:01:01 +0300 (Fri, 05 Jul 2024) $
#$Revision: 293152 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/58/7715897.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_7715897
loop_
_publ_author_name
'Visinescu, Diana'
'Shylin, Sergii I.'
'Shova, Sergiu'
'Novitchi, Ghenadie'
'Popescu, Delia-Laura'
'Alexandru, Maria-Gabriela'
_publ_section_title
;
 New cyanido-bridged iron(II) spin crossover coordination polymers with an
 unusual ladder-like topology: an alternative to Hofmann clathrates.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9062
_journal_page_last               9071
_journal_paper_doi               10.1039/d4dt00870g
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C22 H12 Fe N10 Pd, C2 H3 N, 2(H2 O)'
_chemical_formula_sum            'C24 H19 Fe N11 O2 Pd'
_chemical_formula_weight         655.75
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2024-01-10
_audit_creation_method
;
Olex2 1.5-ac5-024
(compiled 2022.04.12 svn.rca3783a0 for Rigaku Oxford Diffraction, GUI svn.r6498)
;
_audit_update_record
;
2024-03-21 deposited with the CCDC.	2024-04-30 downloaded from the CCDC.
;
_cell_angle_alpha                94.888(4)
_cell_angle_beta                 93.429(4)
_cell_angle_gamma                116.505(6)
_cell_formula_units_Z            2
_cell_length_a                   9.2277(6)
_cell_length_b                   10.5250(6)
_cell_length_c                   15.0648(6)
_cell_measurement_reflns_used    4206
_cell_measurement_temperature    180.00(14)
_cell_measurement_theta_max      29.1120
_cell_measurement_theta_min      2.1850
_cell_volume                     1296.70(14)
_computing_cell_refinement       'CrysAlisPro 1.171.43.101a (Rigaku OD, 2023)'
_computing_data_collection
'CrysAlisPro system (CCD 38.46 (release 23-01-2017))'
_computing_data_reduction        'CrysAlisPro 1.171.43.101a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5-ac5-024 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-ac5-024 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      180.00(14)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0797
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.838
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -31.00  14.00   1.00   50.00    --  -15.29 -19.00  30.00   45
  2  ω    -30.00  51.00   1.00   50.00    --  -15.29  57.00   0.00   81
  3  ω     -9.00  84.00   1.00   50.00    --   17.55  77.00-150.00   93
  4  ω      1.00  55.00   1.00   50.00    --   17.55  57.00 120.00   54
  5  ω     10.00  87.00   1.00   50.00    --   17.55  38.00 -60.00   77
  6  ω     24.00  57.00   1.00   50.00    --   17.55 -99.00   0.00   33
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0580861838
_diffrn_orient_matrix_UB_12      -0.0625510310
_diffrn_orient_matrix_UB_13      0.0156696024
_diffrn_orient_matrix_UB_21      0.0586737951
_diffrn_orient_matrix_UB_22      -0.0260626774
_diffrn_orient_matrix_UB_23      0.0037432278
_diffrn_orient_matrix_UB_31      0.0255179535
_diffrn_orient_matrix_UB_32      0.0342006299
_diffrn_orient_matrix_UB_33      0.0447294793
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0283
_diffrn_reflns_av_unetI/netI     0.0539
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.838
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11197
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.838
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.184
_diffrn_reflns_theta_min         2.179
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.298
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.91359
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.101a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light brown'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.679
_exptl_crystal_description       plate
_exptl_crystal_F_000             656
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.532
_refine_diff_density_min         -0.577
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     365
_refine_ls_number_reflns         5891
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0386
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0192P)²+0.9199P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0665
_refine_ls_wR_factor_ref         0.0712
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4898
_reflns_number_total             5891
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt00870g2.cif
_cod_data_source_block           shi_4406_gaal
_cod_depositor_comments
'Adding full bibliography for 7715897--7715901.cif.'
_cod_database_code               7715897
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         C20H20N8O2Fe1Pd2
_chemical_oxdiff_usercomment     M2PdFepytri
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.987
_shelx_estimated_absorpt_t_min   0.926
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H,H,H,H) groups, All O(H,H) groups
2. Restrained distances
 C23X-C24 = C24-C23
 1.52 with sigma of 0.01
 N11-C23 \\sim N11X-C23X
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(N11) \\sim Ueq, Uanis(N11X) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(N11) = Uanis(N11X)
Uanis(C23X) = Uanis(C23)
4. Others
 Fixed Sof: N11X(0.5) N11(0.5) C23(0.5) C23X(0.5) H24D(0.5) H24E(0.5)
 H24F(0.5) H24A(0.5) H24B(0.5) H24C(0.5)
5.a Free rotating group:
 O1W(H1WA,H1WB), O2W(H2WA,H2WB)
5.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C10(H10), C11(H11), C12(H12), C13(H13),
 C15(H15), C16(H16), C17(H17), C18(H18)
5.c Idealised Me refined as rotating group:
 C24(H24D,H24E,H24F), C24(H24A,H24B,H24C)
;
_olex2_date_sample_data_collection 2024-01-10
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.150
_oxdiff_exptl_absorpt_empirical_full_min 0.831
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd -0.11036(3) 0.68753(2) 0.33436(2) 0.01493(7) Uani 1 1 d . . . . .
Fe1 Fe 0.09894(5) 0.81244(5) 0.67560(3) 0.01505(10) Uani 1 1 d . . . . .
N1 N -0.1260(3) 0.7217(3) 0.74722(15) 0.0179(5) Uani 1 1 d . . . . .
N2 N 0.1752(3) 0.8135(3) 0.81199(14) 0.0148(5) Uani 1 1 d . . . . .
N3 N 0.3718(3) 0.9055(3) 0.68935(15) 0.0192(6) Uani 1 1 d . . . . .
N4 N 0.1033(3) 0.7165(3) 0.94710(15) 0.0182(5) Uani 1 1 d . . . . .
N5 N 0.3805(3) 0.8199(3) 0.91539(15) 0.0165(5) Uani 1 1 d . . . . .
N6 N 0.4739(3) 0.7850(3) 1.07964(16) 0.0232(6) Uani 1 1 d . . . . .
N7 N 0.0201(4) 0.7746(3) 0.53864(17) 0.0288(7) Uani 1 1 d . . . . .
N8 N -0.1148(3) 0.9808(3) 0.32057(15) 0.0201(6) Uani 1 1 d . . . . .
N9 N -0.0954(3) 0.3968(3) 0.33949(16) 0.0221(6) Uani 1 1 d . . . . .
N10 N -0.2121(3) 0.5981(3) 0.12786(18) 0.0335(7) Uani 1 1 d . . . . .
C1 C -0.2783(4) 0.6830(4) 0.7121(2) 0.0274(8) Uani 1 1 d . . . . .
H1 H -0.297109 0.690505 0.650486 0.033 Uiso 1 1 calc R U . . .
C2 C -0.4095(4) 0.6325(4) 0.7617(2) 0.0298(8) Uani 1 1 d . . . . .
H2 H -0.516185 0.605166 0.734162 0.036 Uiso 1 1 calc R U . . .
C3 C -0.3853(4) 0.6219(4) 0.8510(2) 0.0297(8) Uani 1 1 d . . . . .
H3 H -0.474142 0.588952 0.886138 0.036 Uiso 1 1 calc R U . . .
C4 C -0.2290(4) 0.6601(3) 0.8887(2) 0.0227(7) Uani 1 1 d . . . . .
H4 H -0.208292 0.653270 0.950229 0.027 Uiso 1 1 calc R U . . .
C5 C -0.1037(4) 0.7085(3) 0.83509(19) 0.0167(6) Uani 1 1 d . . . . .
C6 C 0.0665(3) 0.7480(3) 0.86800(18) 0.0154(6) Uani 1 1 d . . . . .
C7 C 0.2627(4) 0.7578(3) 0.96799(18) 0.0172(6) Uani 1 1 d . . . . .
C8 C 0.3293(4) 0.8436(3) 0.83744(18) 0.0153(6) Uani 1 1 d . . . . .
C9 C 0.4430(4) 0.9048(3) 0.77017(18) 0.0159(6) Uani 1 1 d . . . . .
C10 C 0.6086(4) 0.9536(3) 0.7889(2) 0.0215(7) Uani 1 1 d . . . . .
H10 H 0.654048 0.950744 0.846532 0.026 Uiso 1 1 calc R U . . .
C11 C 0.7067(4) 1.0065(4) 0.7220(2) 0.0273(8) Uani 1 1 d . . . . .
H11 H 0.821232 1.040767 0.732731 0.033 Uiso 1 1 calc R U . . .
C12 C 0.6363(4) 1.0089(4) 0.6394(2) 0.0328(8) Uani 1 1 d . . . . .
H12 H 0.701253 1.044588 0.592111 0.039 Uiso 1 1 calc R U . . .
C13 C 0.4700(4) 0.9586(4) 0.6265(2) 0.0269(8) Uani 1 1 d . . . . .
H13 H 0.422712 0.961999 0.569594 0.032 Uiso 1 1 calc R U . . .
C14 C 0.3124(4) 0.7341(3) 1.05838(19) 0.0185(6) Uani 1 1 d . . . . .
C15 C 0.1994(4) 0.6680(3) 1.11616(19) 0.0222(7) Uani 1 1 d . . . . .
H15 H 0.086251 0.631510 1.098151 0.027 Uiso 1 1 calc R U . . .
C16 C 0.2539(4) 0.6558(4) 1.2009(2) 0.0290(8) Uani 1 1 d . . . . .
H16 H 0.178834 0.611609 1.242439 0.035 Uiso 1 1 calc R U . . .
C17 C 0.4186(4) 0.7085(4) 1.2240(2) 0.0273(8) Uani 1 1 d . . . . .
H17 H 0.459286 0.701983 1.281963 0.033 Uiso 1 1 calc R U . . .
C18 C 0.5233(4) 0.7709(4) 1.1619(2) 0.0248(7) Uani 1 1 d . . . . .
H18 H 0.636775 0.805762 1.178191 0.030 Uiso 1 1 calc R U . . .
C19 C -0.0296(4) 0.7455(3) 0.4643(2) 0.0230(7) Uani 1 1 d . . . . .
C20 C -0.1164(4) 0.8733(3) 0.32630(18) 0.0176(6) Uani 1 1 d . . . . .
C21 C -0.1013(4) 0.5028(3) 0.33924(18) 0.0187(7) Uani 1 1 d . . . . .
C22 C -0.1795(4) 0.6297(3) 0.20352(19) 0.0181(6) Uani 1 1 d . . . . .
N11X N 0.5976(13) 0.7500(17) 0.4876(12) 0.147(5) Uani 0.5 1 d D U P A 1
N11 N 0.5704(15) 0.6381(18) 0.4876(12) 0.147(5) Uani 0.5 1 d D U P B 2
C23 C 0.4468(13) 0.631(2) 0.476(3) 0.065(5) Uani 0.5 1 d D . P B 2
C23X C 0.4608(11) 0.685(2) 0.475(3) 0.065(5) Uani 0.5 1 d D . P A 1
C24 C 0.2826(5) 0.6078(6) 0.4587(3) 0.0687(15) Uani 1 1 d D . . . .
H24D H 0.214883 0.509875 0.429564 0.103 Uiso 0.5 1 calc R U P B 2
H24E H 0.278600 0.675823 0.419247 0.103 Uiso 0.5 1 calc R U P B 2
H24F H 0.241415 0.621773 0.515308 0.103 Uiso 0.5 1 calc R U P B 2
H24A H 0.249239 0.583104 0.394043 0.103 Uiso 0.5 1 calc R U P B 1
H24B H 0.236183 0.668783 0.483705 0.103 Uiso 0.5 1 calc R U P B 1
H24C H 0.243128 0.520087 0.487512 0.103 Uiso 0.5 1 calc R U P B 1
O1W O 0.2364(3) 1.0397(3) 0.99576(16) 0.0344(6) Uani 1 1 d G . . . .
H1WA H 0.178712 1.061979 0.958192 0.052 Uiso 1 1 d G U . . .
H1WB H 0.336524 1.090681 0.985179 0.052 Uiso 1 1 d G U . . .
O2W O 0.0019(3) 1.0775(3) 0.89277(18) 0.0433(7) Uani 1 1 d G . . . .
H2WA H -0.076761 1.047599 0.926811 0.065 Uiso 1 1 d G U . . .
H2WB H 0.038676 1.169103 0.891632 0.065 Uiso 1 1 d G U . . .
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'
Fe Fe 0.3463 0.8444 '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'
Pd Pd -0.9988 1.0072 '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
C19 Pd1 C20 90.41(11) . . ?
C21 Pd1 C19 90.72(11) . . ?
C21 Pd1 C20 178.38(12) . . ?
C21 Pd1 C22 87.91(11) . . ?
C22 Pd1 C19 176.89(13) . . ?
C22 Pd1 C20 90.91(11) . . ?
N2 Fe1 N1 72.62(9) . . ?
N2 Fe1 N3 72.99(9) . . ?
N2 Fe1 N9 82.85(9) . 2_566 ?
N3 Fe1 N1 145.60(9) . . ?
N7 Fe1 N1 106.75(10) . . ?
N7 Fe1 N2 169.79(9) . . ?
N7 Fe1 N3 107.17(10) . . ?
N7 Fe1 N8 89.41(10) . 2_576 ?
N7 Fe1 N9 86.97(9) . 2_566 ?
N8 Fe1 N1 95.30(9) 2_576 . ?
N8 Fe1 N2 100.79(9) 2_576 . ?
N8 Fe1 N3 90.62(10) 2_576 . ?
N8 Fe1 N9 174.55(10) 2_576 2_566 ?
N9 Fe1 N1 89.65(9) 2_566 . ?
N9 Fe1 N3 86.55(10) 2_566 . ?
C1 N1 Fe1 126.3(2) . . ?
C1 N1 C5 117.2(3) . . ?
C5 N1 Fe1 116.54(19) . . ?
C6 N2 Fe1 120.68(19) . . ?
C6 N2 C8 116.4(2) . . ?
C8 N2 Fe1 120.43(18) . . ?
C9 N3 Fe1 115.93(19) . . ?
C13 N3 Fe1 127.3(2) . . ?
C13 N3 C9 116.8(3) . . ?
C6 N4 C7 114.4(3) . . ?
C8 N5 C7 114.4(2) . . ?
C18 N6 C14 116.9(3) . . ?
C19 N7 Fe1 175.9(3) . . ?
C20 N8 Fe1 173.7(2) . 2_576 ?
C21 N9 Fe1 173.4(2) . 2_566 ?
N1 C1 C2 122.6(3) . . ?
C3 C2 C1 119.8(3) . . ?
C2 C3 C4 118.7(3) . . ?
C5 C4 C3 118.5(3) . . ?
N1 C5 C4 123.2(3) . . ?
N1 C5 C6 113.9(3) . . ?
C4 C5 C6 122.9(3) . . ?
N2 C6 C5 114.8(2) . . ?
N4 C6 N2 124.2(3) . . ?
N4 C6 C5 120.9(3) . . ?
N4 C7 C14 116.7(3) . . ?
N5 C7 N4 125.9(3) . . ?
N5 C7 C14 117.4(3) . . ?
N2 C8 C9 114.6(2) . . ?
N5 C8 N2 124.5(3) . . ?
N5 C8 C9 121.0(3) . . ?
N3 C9 C8 114.9(3) . . ?
N3 C9 C10 123.3(3) . . ?
C10 C9 C8 121.8(3) . . ?
C11 C10 C9 118.4(3) . . ?
C12 C11 C10 119.1(3) . . ?
C13 C12 C11 118.7(3) . . ?
N3 C13 C12 123.8(3) . . ?
N6 C14 C7 115.3(3) . . ?
N6 C14 C15 123.2(3) . . ?
C15 C14 C7 121.4(3) . . ?
C14 C15 C16 118.7(3) . . ?
C17 C16 C15 118.9(3) . . ?
C18 C17 C16 118.9(3) . . ?
N6 C18 C17 123.5(3) . . ?
N7 C19 Pd1 176.8(3) . . ?
N8 C20 Pd1 177.6(3) . . ?
N9 C21 Pd1 178.0(3) . . ?
N10 C22 Pd1 176.9(3) . . ?
N11 C23 C24 175(2) . . ?
N11X C23X C24 177(2) . . ?
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
Pd1 C19 1.994(3) . ?
Pd1 C20 1.995(3) . ?
Pd1 C21 1.990(3) . ?
Pd1 C22 1.990(3) . ?
Fe1 N1 2.249(3) . ?
Fe1 N2 2.129(2) . ?
Fe1 N3 2.246(3) . ?
Fe1 N7 2.090(3) . ?
Fe1 N8 2.111(3) 2_576 ?
Fe1 N9 2.180(3) 2_566 ?
N1 C1 1.335(4) . ?
N1 C5 1.356(4) . ?
N2 C6 1.333(4) . ?
N2 C8 1.334(3) . ?
N3 C9 1.351(3) . ?
N3 C13 1.330(4) . ?
N4 C6 1.328(4) . ?
N4 C7 1.342(4) . ?
N5 C7 1.340(4) . ?
N5 C8 1.324(3) . ?
N6 C14 1.346(4) . ?
N6 C18 1.338(4) . ?
N7 C19 1.146(4) . ?
N8 C20 1.135(4) . ?
N9 C21 1.141(4) . ?
N10 C22 1.143(4) . ?
C1 C2 1.382(5) . ?
C2 C3 1.372(5) . ?
C3 C4 1.382(4) . ?
C4 C5 1.381(4) . ?
C5 C6 1.474(4) . ?
C7 C14 1.487(4) . ?
C8 C9 1.476(4) . ?
C9 C10 1.380(4) . ?
C10 C11 1.378(4) . ?
C11 C12 1.377(4) . ?
C12 C13 1.376(5) . ?
C14 C15 1.376(4) . ?
C15 C16 1.381(4) . ?
C16 C17 1.375(5) . ?
C17 C18 1.373(5) . ?
N11X C23X 1.129(10) . ?
N11 C23 1.111(10) . ?
C23 C24 1.427(8) . ?
C23X C24 1.467(9) . ?
