#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:01:31 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179910 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/06/7020671.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_7020671
loop_
_publ_author_name
'Laurila, Elina'
'Oresmaa, Larisa'
'Hassinen, Jorma'
'Hirva, Pipsa'
'Haukka, Matti'
_publ_section_title
;
 Neutral one-dimensional metal chains consisting of alternating anionic
 and cationic rhodium complexes.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              395
_journal_page_last               398
_journal_paper_doi               10.1039/c2dt31671d
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C14 H8 N2 O2 Rh, C2 Cl2 O2 Rh'
_chemical_formula_sum            'C16 H8 Cl2 N2 O4 Rh2'
_chemical_formula_weight         568.96
_chemical_name_systematic
;
?
;
_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                72.6080(10)
_cell_angle_beta                 80.9340(10)
_cell_angle_gamma                86.5110(10)
_cell_formula_units_Z            4
_cell_length_a                   6.56520(10)
_cell_length_b                   16.7058(4)
_cell_length_c                   16.9994(4)
_cell_measurement_reflns_used    5709
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.16
_cell_measurement_theta_min      2.50
_cell_volume                     1756.79(7)
_computing_cell_refinement       'SAINT (Bruker AXS, 2009)'
_computing_data_collection       'APEX2 (Bruker AXS, 2010)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_molecular_graphics    'Diamond v.3.2e (Brandenburg, 2010)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device       '62mm x 62mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'Bruker KAPPA APEX II DUO CCD'
_diffrn_measurement_method       'φ scans and ω scans with κ offset'
_diffrn_radiation_monochromator  'curved graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0193
_diffrn_reflns_av_sigmaI/netI    0.0354
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            15324
_diffrn_reflns_theta_full        30.17
_diffrn_reflns_theta_max         30.17
_diffrn_reflns_theta_min         2.50
_exptl_absorpt_coefficient_mu    2.207
_exptl_absorpt_correction_T_max  0.9530
_exptl_absorpt_correction_T_min  0.6641
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            'red, lustrous'
_exptl_crystal_density_diffrn    2.151
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1096
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.734
_refine_diff_density_min         -0.519
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         10077
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0269
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0239P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0508
_refine_ls_wR_factor_ref         0.0549
_reflns_number_gt                7971
_reflns_number_total             10077
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt31671d.txt
_cod_data_source_block           2
_cod_original_cell_volume        1756.79(6)
_cod_database_code               7020671
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
Rh1 Rh 0.07716(3) 0.463557(12) 0.305024(12) 0.01515(4) Uani 1 1 d .
Rh2 Rh 0.58720(3) 0.461659(13) 0.289042(12) 0.01635(4) Uani 1 1 d .
Cl1 Cl 0.63530(11) 0.59337(4) 0.18461(4) 0.02465(13) Uani 1 1 d .
Cl2 Cl 0.65528(9) 0.38474(4) 0.19087(4) 0.01847(12) Uani 1 1 d .
O1 O 0.0555(3) 0.64602(12) 0.29517(13) 0.0300(5) Uani 1 1 d .
O2 O -0.0344(4) 0.42244(13) 0.49009(12) 0.0341(5) Uani 1 1 d .
O3 O 0.4779(4) 0.55615(16) 0.41329(15) 0.0441(6) Uani 1 1 d .
O4 O 0.5240(3) 0.29461(14) 0.41551(13) 0.0338(5) Uani 1 1 d .
N1 N 0.0923(3) 0.33940(13) 0.30344(13) 0.0161(4) Uani 1 1 d .
N2 N 0.1500(3) 0.48113(13) 0.17759(13) 0.0164(4) Uani 1 1 d .
C1 C 0.0645(4) 0.57712(17) 0.29852(16) 0.0199(5) Uani 1 1 d .
C2 C 0.0087(4) 0.43846(16) 0.42015(17) 0.0207(5) Uani 1 1 d .
C3 C 0.5224(4) 0.51942(19) 0.36693(19) 0.0274(6) Uani 1 1 d .
C4 C 0.5483(4) 0.35921(18) 0.36854(17) 0.0226(5) Uani 1 1 d .
C10 C 0.0628(4) 0.26928(16) 0.36748(16) 0.0187(5) Uani 1 1 d .
H10 H 0.0319 0.2741 0.4224 0.022 Uiso 1 1 calc R
C11 C 0.0755(4) 0.18943(17) 0.35661(17) 0.0218(5) Uani 1 1 d .
H11 H 0.0521 0.1410 0.4034 0.026 Uiso 1 1 calc R
C12 C 0.1222(4) 0.18163(16) 0.27771(17) 0.0210(5) Uani 1 1 d .
H12 H 0.1339 0.1276 0.2696 0.025 Uiso 1 1 calc R
C13 C 0.1527(4) 0.25376(16) 0.20905(16) 0.0183(5) Uani 1 1 d .
C14 C 0.2008(4) 0.25195(18) 0.12424(17) 0.0229(5) Uani 1 1 d .
H14 H 0.2116 0.1995 0.1126 0.028 Uiso 1 1 calc R
C15 C 0.2312(4) 0.32402(18) 0.06029(17) 0.0229(5) Uani 1 1 d .
H15 H 0.2634 0.3212 0.0047 0.028 Uiso 1 1 calc R
C16 C 0.2156(4) 0.40409(17) 0.07545(16) 0.0200(5) Uani 1 1 d .
C17 C 0.2471(4) 0.48095(17) 0.01200(16) 0.0208(5) Uani 1 1 d .
H17 H 0.2807 0.4816 -0.0446 0.025 Uiso 1 1 calc R
C18 C 0.2292(4) 0.55449(18) 0.03234(17) 0.0226(5) Uani 1 1 d .
H18 H 0.2496 0.6066 -0.0100 0.027 Uiso 1 1 calc R
C19 C 0.1804(4) 0.55257(16) 0.11633(16) 0.0198(5) Uani 1 1 d .
H19 H 0.1686 0.6040 0.1299 0.024 Uiso 1 1 calc R
C20 C 0.1687(4) 0.40760(16) 0.15759(15) 0.0153(5) Uani 1 1 d .
C21 C 0.1370(3) 0.33175(16) 0.22499(15) 0.0154(5) Uani 1 1 d .
Rh1B Rh 0.32556(3) 0.120645(12) 0.663828(12) 0.01583(4) Uani 1 1 d .
Rh2B Rh -0.18550(3) 0.109368(12) 0.700679(12) 0.01524(4) Uani 1 1 d .
Cl1B Cl -0.13029(10) 0.03365(4) 0.60179(4) 0.02222(13) Uani 1 1 d .
Cl2B Cl -0.18754(9) -0.01368(4) 0.81585(4) 0.01771(11) Uani 1 1 d .
O1B O 0.4094(3) 0.09895(14) 0.49224(12) 0.0305(5) Uani 1 1 d .
O2B O 0.2765(3) 0.30484(13) 0.58262(13) 0.0329(5) Uani 1 1 d .
O3B O -0.2079(3) 0.26278(13) 0.55762(13) 0.0305(5) Uani 1 1 d .
O4B O -0.2511(3) 0.20173(12) 0.82820(12) 0.0255(4) Uani 1 1 d .
N1B N 0.2837(3) 0.12524(13) 0.78603(12) 0.0146(4) Uani 1 1 d .
N2B N 0.3358(3) -0.00683(13) 0.72677(13) 0.0163(4) Uani 1 1 d .
C1B C 0.3756(4) 0.10706(17) 0.55686(16) 0.0217(5) Uani 1 1 d .
C2B C 0.2980(4) 0.23532(18) 0.61415(16) 0.0214(5) Uani 1 1 d .
C3B C -0.1981(4) 0.20454(17) 0.61324(16) 0.0205(5) Uani 1 1 d .
C4B C -0.2260(4) 0.16825(16) 0.77831(16) 0.0185(5) Uani 1 1 d .
C10B C 0.2605(4) 0.19185(16) 0.81502(16) 0.0176(5) Uani 1 1 d .
H10B H 0.2597 0.2462 0.7762 0.021 Uiso 1 1 calc R
C11B C 0.2377(4) 0.18513(17) 0.89939(17) 0.0220(5) Uani 1 1 d .
H11B H 0.2206 0.2341 0.9173 0.026 Uiso 1 1 calc R
C12B C 0.2398(4) 0.10755(18) 0.95648(17) 0.0230(5) Uani 1 1 d .
H12B H 0.2250 0.1023 1.0143 0.028 Uiso 1 1 calc R
C13B C 0.2641(4) 0.03544(17) 0.92884(16) 0.0190(5) Uani 1 1 d .
C14B C 0.2677(4) -0.04862(18) 0.98382(16) 0.0226(5) Uani 1 1 d .
H14B H 0.2548 -0.0575 1.0422 0.027 Uiso 1 1 calc R
C15B C 0.2891(4) -0.11545(18) 0.95339(17) 0.0228(5) Uani 1 1 d .
H15B H 0.2894 -0.1704 0.9911 0.027 Uiso 1 1 calc R
C16B C 0.3114(4) -0.10513(16) 0.86579(16) 0.0190(5) Uani 1 1 d .
C17B C 0.3336(4) -0.17166(17) 0.83039(18) 0.0229(5) Uani 1 1 d .
H17B H 0.3319 -0.2281 0.8651 0.028 Uiso 1 1 calc R
C18B C 0.3578(4) -0.15465(17) 0.74506(18) 0.0239(6) Uani 1 1 d .
H18B H 0.3737 -0.1992 0.7204 0.029 Uiso 1 1 calc R
C19B C 0.3586(4) -0.07161(17) 0.69515(17) 0.0224(5) Uani 1 1 d .
H19B H 0.3762 -0.0606 0.6364 0.027 Uiso 1 1 calc R
C20B C 0.3120(3) -0.02323(16) 0.81096(15) 0.0154(5) Uani 1 1 d .
C21B C 0.2853(3) 0.04720(16) 0.84292(15) 0.0153(5) 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 '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
C2 Rh1 C1 88.65(11) . . yes
C2 Rh1 N2 175.24(10) . . ?
C1 Rh1 N2 96.04(10) . . ?
C2 Rh1 N1 95.20(10) . . ?
C1 Rh1 N1 176.07(10) . . ?
N2 Rh1 N1 80.10(8) . . yes
C2 Rh1 Rh2 89.50(8) . 1_455 ?
C1 Rh1 Rh2 92.14(8) . 1_455 ?
N2 Rh1 Rh2 89.52(5) . 1_455 ?
N1 Rh1 Rh2 87.16(6) . 1_455 ?
C2 Rh1 Rh2 99.71(8) . . ?
C1 Rh1 Rh2 91.20(8) . . ?
N2 Rh1 Rh2 81.04(5) . . ?
N1 Rh1 Rh2 88.89(6) . . ?
Rh2 Rh1 Rh2 170.275(9) 1_455 . yes
C4 Rh2 C3 92.63(13) . . yes
C4 Rh2 Cl2 86.05(9) . . ?
C3 Rh2 Cl2 177.38(9) . . ?
C4 Rh2 Cl1 179.06(9) . . ?
C3 Rh2 Cl1 88.13(10) . . ?
Cl2 Rh2 Cl1 93.18(2) . . yes
C4 Rh2 Rh1 83.72(8) . . ?
C3 Rh2 Rh1 80.66(9) . . ?
Cl2 Rh2 Rh1 96.936(16) . . ?
Cl1 Rh2 Rh1 95.860(18) . . ?
C10 N1 C21 118.2(2) . . ?
C10 N1 Rh1 128.97(17) . . ?
C21 N1 Rh1 112.83(16) . . ?
C19 N2 C20 118.4(2) . . ?
C19 N2 Rh1 128.73(18) . . ?
C20 N2 Rh1 112.83(16) . . ?
O1 C1 Rh1 179.4(3) . . ?
O2 C2 Rh1 179.1(3) . . ?
O3 C3 Rh2 177.8(3) . . ?
O4 C4 Rh2 177.6(3) . . ?
N1 C10 C11 122.5(2) . . ?
N1 C10 H10 118.7 . . ?
C11 C10 H10 118.7 . . ?
C12 C11 C10 119.3(2) . . ?
C12 C11 H11 120.3 . . ?
C10 C11 H11 120.3 . . ?
C11 C12 C13 119.7(2) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 H12 120.1 . . ?
C21 C13 C12 117.6(2) . . ?
C21 C13 C14 118.6(2) . . ?
C12 C13 C14 123.8(2) . . ?
C15 C14 C13 121.1(2) . . ?
C15 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
C14 C15 C16 121.0(2) . . ?
C14 C15 H15 119.5 . . ?
C16 C15 H15 119.5 . . ?
C20 C16 C17 117.2(2) . . ?
C20 C16 C15 119.0(2) . . ?
C17 C16 C15 123.7(2) . . ?
C18 C17 C16 119.7(2) . . ?
C18 C17 H17 120.2 . . ?
C16 C17 H17 120.2 . . ?
C17 C18 C19 119.5(2) . . ?
C17 C18 H18 120.2 . . ?
C19 C18 H18 120.2 . . ?
N2 C19 C18 122.2(2) . . ?
N2 C19 H19 118.9 . . ?
C18 C19 H19 118.9 . . ?
N2 C20 C16 122.9(2) . . ?
N2 C20 C21 117.1(2) . . ?
C16 C20 C21 120.0(2) . . ?
N1 C21 C13 122.6(2) . . ?
N1 C21 C20 117.1(2) . . ?
C13 C21 C20 120.2(2) . . ?
C2B Rh1B C1B 88.25(11) . . yes
C2B Rh1B N1B 96.59(10) . . ?
C1B Rh1B N1B 174.79(10) . . ?
C2B Rh1B N2B 175.26(10) . . ?
C1B Rh1B N2B 95.34(10) . . ?
N1B Rh1B N2B 79.94(8) . . yes
C2B Rh1B Rh2B 88.49(8) . . ?
C1B Rh1B Rh2B 100.20(8) . . ?
N1B Rh1B Rh2B 81.92(5) . . ?
N2B Rh1B Rh2B 87.83(6) . . ?
C2B Rh1B Rh2B 100.49(8) . 1_655 ?
C1B Rh1B Rh2B 98.40(8) . 1_655 ?
N1B Rh1B Rh2B 78.86(5) . 1_655 ?
N2B Rh1B Rh2B 82.09(6) . 1_655 ?
Rh2B Rh1B Rh2B 159.573(9) . 1_655 yes
C3B Rh2B C4B 92.89(11) . . yes
C3B Rh2B Cl1B 87.36(8) . . ?
C4B Rh2B Cl1B 179.41(8) . . ?
C3B Rh2B Cl2B 177.11(8) . . ?
C4B Rh2B Cl2B 86.38(8) . . ?
Cl1B Rh2B Cl2B 93.39(2) . . yes
C3B Rh2B Rh1B 88.89(8) . . ?
C4B Rh2B Rh1B 96.76(8) . . ?
Cl1B Rh2B Rh1B 82.718(17) . . ?
Cl2B Rh2B Rh1B 93.974(16) . . ?
C10B N1B C21B 117.8(2) . . ?
C10B N1B Rh1B 129.42(17) . . ?
C21B N1B Rh1B 112.76(16) . . ?
C19B N2B C20B 118.3(2) . . ?
C19B N2B Rh1B 128.52(18) . . ?
C20B N2B Rh1B 113.19(16) . . ?
O1B C1B Rh1B 178.8(2) . . ?
O2B C2B Rh1B 177.9(2) . . ?
O3B C3B Rh2B 178.3(2) . . ?
O4B C4B Rh2B 177.5(2) . . ?
N1B C10B C11B 122.9(2) . . ?
N1B C10B H10B 118.5 . . ?
C11B C10B H10B 118.5 . . ?
C12B C11B C10B 119.6(2) . . ?
C12B C11B H11B 120.2 . . ?
C10B C11B H11B 120.2 . . ?
C11B C12B C13B 119.5(2) . . ?
C11B C12B H12B 120.3 . . ?
C13B C12B H12B 120.3 . . ?
C21B C13B C12B 117.6(2) . . ?
C21B C13B C14B 118.7(2) . . ?
C12B C13B C14B 123.7(2) . . ?
C15B C14B C13B 120.8(2) . . ?
C15B C14B H14B 119.6 . . ?
C13B C14B H14B 119.6 . . ?
C14B C15B C16B 121.5(2) . . ?
C14B C15B H15B 119.2 . . ?
C16B C15B H15B 119.2 . . ?
C17B C16B C20B 117.3(2) . . ?
C17B C16B C15B 124.3(2) . . ?
C20B C16B C15B 118.4(2) . . ?
C18B C17B C16B 119.6(2) . . ?
C18B C17B H17B 120.2 . . ?
C16B C17B H17B 120.2 . . ?
C17B C18B C19B 119.4(3) . . ?
C17B C18B H18B 120.3 . . ?
C19B C18B H18B 120.3 . . ?
N2B C19B C18B 122.5(3) . . ?
N2B C19B H19B 118.7 . . ?
C18B C19B H19B 118.7 . . ?
N2B C20B C16B 122.9(2) . . ?
N2B C20B C21B 117.0(2) . . ?
C16B C20B C21B 120.2(2) . . ?
N1B C21B C13B 122.5(2) . . ?
N1B C21B C20B 117.1(2) . . ?
C13B C21B C20B 120.3(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
Rh1 C2 1.861(3) . yes
Rh1 C1 1.865(3) . yes
Rh1 N2 2.078(2) . yes
Rh1 N1 2.078(2) . yes
Rh1 Rh2 3.2734(3) 1_455 yes
Rh1 Rh2 3.3155(3) . yes
Rh2 C4 1.839(3) . yes
Rh2 C3 1.844(3) . yes
Rh2 Cl2 2.3692(6) . yes
Rh2 Cl1 2.3803(7) . yes
O1 C1 1.134(3) . ?
O2 C2 1.131(3) . ?
O3 C3 1.130(4) . ?
O4 C4 1.137(3) . ?
N1 C10 1.339(3) . ?
N1 C21 1.362(3) . ?
N2 C19 1.330(3) . ?
N2 C20 1.363(3) . ?
C10 C11 1.396(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.371(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.403(4) . ?
C12 H12 0.9500 . ?
C13 C21 1.402(3) . ?
C13 C14 1.436(4) . ?
C14 C15 1.360(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.431(4) . ?
C15 H15 0.9500 . ?
C16 C20 1.400(3) . ?
C16 C17 1.410(4) . ?
C17 C18 1.366(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.404(4) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C21 1.432(3) . ?
Rh1B C2B 1.859(3) . yes
Rh1B C1B 1.875(3) . yes
Rh1B N1B 2.076(2) . yes
Rh1B N2B 2.080(2) . yes
Rh1B Rh2B 3.3211(3) . yes
Rh1B Rh2B 3.3498(3) 1_655 yes
Rh2B C3B 1.831(3) . yes
Rh2B C4B 1.848(3) . yes
Rh2B Cl1B 2.3624(7) . yes
Rh2B Cl2B 2.3766(6) . yes
O1B C1B 1.133(3) . ?
O2B C2B 1.135(3) . ?
O3B C3B 1.143(3) . ?
O4B C4B 1.135(3) . ?
N1B C10B 1.337(3) . ?
N1B C21B 1.372(3) . ?
N2B C19B 1.336(3) . ?
N2B C20B 1.359(3) . ?
C10B C11B 1.389(4) . ?
C10B H10B 0.9500 . ?
C11B C12B 1.368(4) . ?
C11B H11B 0.9500 . ?
C12B C13B 1.410(4) . ?
C12B H12B 0.9500 . ?
C13B C21B 1.400(3) . ?
C13B C14B 1.437(4) . ?
C14B C15B 1.355(4) . ?
C14B H14B 0.9500 . ?
C15B C16B 1.432(4) . ?
C15B H15B 0.9500 . ?
C16B C17B 1.404(4) . ?
C16B C20B 1.406(3) . ?
C17B C18B 1.377(4) . ?
C17B H17B 0.9500 . ?
C18B C19B 1.393(4) . ?
C18B H18B 0.9500 . ?
C19B H19B 0.9500 . ?
C20B C21B 1.427(3) . ?
