#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:09:14 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179233 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/53/4315320.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_4315320
loop_
_publ_author_name
'Joanne Ledger'
'Ramamoorthy Boomishankar'
'Alexander Steiner'
_publ_section_title
;
 Aqueous Chemistry of Chlorocyclophosphazenes: Phosphates {PO2},
 Phosphamides {P(O)NHR}, and the first Phosphites {PHO} and Pyrophosphates
 {(PO)2O} of These Heterocycles
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3896
_journal_page_last               3904
_journal_paper_doi               10.1021/ic100076t
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C14 H32 Cl2 N7 P3'
_chemical_formula_weight         462.28
_chemical_name_systematic
; 
 ? 
;
_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                 115.7929(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.9641(10)
_cell_length_b                   10.9333(5)
_cell_length_c                   19.9347(9)
_cell_measurement_temperature    100(2)
_cell_volume                     4310.2(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker Smart Apex'
_diffrn_measurement_method       /w
_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  0.0355
_diffrn_reflns_av_sigmaI/netI    0.0283
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            21916
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         4.09
_exptl_absorpt_coefficient_mu    0.539
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.425
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1952
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.461
_refine_diff_density_min         -0.288
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     477
_refine_ls_number_reflns         7546
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0294
_refine_ls_R_factor_gt           0.0264
_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)+(0.0459P)²+0.7684P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0759
_refine_ls_wR_factor_ref         0.0773
_reflns_number_gt                6789
_reflns_number_total             7546
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic100076t_si_002_3.cif
_cod_data_source_block           bsr36c
_cod_database_code               4315320
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl11 Cl 0.039480(19) 0.80868(3) 0.37756(2) 0.01927(10) Uani 1 1 d . . .
Cl12 Cl 0.15243(2) 0.61391(4) 0.42053(2) 0.02160(10) Uani 1 1 d . . .
P11 P 0.115740(19) 0.73822(3) 0.47087(2) 0.01331(10) Uani 1 1 d . . .
P12 P 0.202891(19) 0.86868(3) 0.59658(2) 0.01283(10) Uani 1 1 d . . .
P13 P 0.118071(19) 0.68067(3) 0.60606(2) 0.01240(10) Uani 1 1 d . . .
N11 N 0.08382(6) 0.66690(11) 0.51571(7) 0.0160(3) Uani 1 1 d . . .
N12 N 0.16999(6) 0.84026(11) 0.50709(7) 0.0167(3) Uani 1 1 d . . .
N13 N 0.18031(6) 0.77126(11) 0.64081(7) 0.0143(3) Uani 1 1 d . . .
N14 N 0.18490(6) 1.00864(11) 0.61254(7) 0.0156(3) Uani 1 1 d . . .
N15 N 0.28579(6) 0.86948(11) 0.63125(7) 0.0158(3) Uani 1 1 d . . .
N16 N 0.05703(6) 0.72291(11) 0.62898(7) 0.0151(3) Uani 1 1 d . . .
N17 N 0.14171(6) 0.54325(11) 0.64471(7) 0.0153(3) Uani 1 1 d . . .
C11 C 0.07640(8) 1.10023(15) 0.51640(9) 0.0240(4) Uani 1 1 d . . .
H11A H 0.0996 1.1764 0.5157 0.036 Uiso 1 1 calc R . .
H11B H 0.0299 1.1185 0.5077 0.036 Uiso 1 1 calc R . .
H11C H 0.0758 1.0455 0.4772 0.036 Uiso 1 1 calc R . .
C12 C 0.11351(7) 1.03852(14) 0.59192(9) 0.0182(3) Uani 1 1 d . . .
H12A H 0.1115 1.0929 0.6306 0.022 Uiso 1 1 calc R . .
H12B H 0.0894 0.9621 0.5919 0.022 Uiso 1 1 calc R . .
C13 C 0.22667(8) 1.11335(14) 0.61142(9) 0.0195(3) Uani 1 1 d . . .
H13A H 0.2113 1.1882 0.6274 0.023 Uiso 1 1 calc R . .
H13B H 0.2214 1.1265 0.5600 0.023 Uiso 1 1 calc R . .
C14 C 0.30032(8) 1.09011(14) 0.66286(9) 0.0176(3) Uani 1 1 d . . .
H14A H 0.3274 1.1628 0.6633 0.021 Uiso 1 1 calc R . .
H14B H 0.3054 1.0770 0.7142 0.021 Uiso 1 1 calc R . .
C15 C 0.32660(8) 0.97952(14) 0.63826(9) 0.0174(3) Uani 1 1 d . . .
H15A H 0.3267 0.9971 0.5896 0.021 Uiso 1 1 calc R . .
H15B H 0.3738 0.9637 0.6748 0.021 Uiso 1 1 calc R . .
C16 C 0.31799(8) 0.75545(14) 0.62291(9) 0.0179(3) Uani 1 1 d . . .
H16A H 0.3445 0.7730 0.5946 0.021 Uiso 1 1 calc R . .
H16B H 0.2824 0.6955 0.5940 0.021 Uiso 1 1 calc R . .
C17 C 0.36389(9) 0.70049(16) 0.69725(10) 0.0265(4) Uani 1 1 d . . .
H17A H 0.3990 0.7598 0.7262 0.040 Uiso 1 1 calc R . .
H17B H 0.3851 0.6265 0.6894 0.040 Uiso 1 1 calc R . .
H17C H 0.3374 0.6795 0.7245 0.040 Uiso 1 1 calc R . .
C21 C 0.02335(8) 0.87382(16) 0.69925(10) 0.0252(4) Uani 1 1 d . . .
H21A H 0.0171 0.9365 0.6617 0.038 Uiso 1 1 calc R . .
H21B H 0.0381 0.9126 0.7482 0.038 Uiso 1 1 calc R . .
H21C H -0.0195 0.8310 0.6863 0.038 Uiso 1 1 calc R . .
C22 C 0.07649(8) 0.78304(14) 0.70175(9) 0.0179(3) Uani 1 1 d . . .
H22A H 0.1201 0.8261 0.7164 0.022 Uiso 1 1 calc R . .
H22B H 0.0829 0.7201 0.7400 0.022 Uiso 1 1 calc R . .
C23 C 0.00410(8) 0.62800(14) 0.61116(9) 0.0189(3) Uani 1 1 d . . .
H23A H -0.0162 0.6104 0.5571 0.023 Uiso 1 1 calc R . .
H23B H -0.0321 0.6590 0.6236 0.023 Uiso 1 1 calc R . .
C24 C 0.03334(8) 0.51030(15) 0.65457(10) 0.0218(4) Uani 1 1 d . . .
H24A H 0.0536 0.5279 0.7087 0.026 Uiso 1 1 calc R . .
H24B H -0.0035 0.4501 0.6435 0.026 Uiso 1 1 calc R . .
C25 C 0.08677(8) 0.45631(14) 0.63426(9) 0.0207(4) Uani 1 1 d . . .
H25A H 0.1064 0.3830 0.6654 0.025 Uiso 1 1 calc R . .
H25B H 0.0650 0.4298 0.5815 0.025 Uiso 1 1 calc R . .
C26 C 0.19739(8) 0.48446(14) 0.63359(9) 0.0182(3) Uani 1 1 d . . .
H26A H 0.2212 0.5471 0.6180 0.022 Uiso 1 1 calc R . .
H26B H 0.1782 0.4232 0.5931 0.022 Uiso 1 1 calc R . .
C27 C 0.24745(8) 0.42232(15) 0.70380(9) 0.0234(4) Uani 1 1 d . . .
H27A H 0.2697 0.4839 0.7426 0.035 Uiso 1 1 calc R . .
H27B H 0.2815 0.3791 0.6933 0.035 Uiso 1 1 calc R . .
H27C H 0.2236 0.3637 0.7210 0.035 Uiso 1 1 calc R . .
Cl21 Cl 0.451704(19) 0.28688(3) 1.13711(2) 0.01880(10) Uani 1 1 d . . .
Cl22 Cl 0.34431(2) 0.08155(4) 1.08411(2) 0.02221(10) Uani 1 1 d . . .
P21 P 0.380380(19) 0.21683(3) 1.04015(2) 0.01286(10) Uani 1 1 d . . .
P22 P 0.295266(19) 0.35034(3) 0.91571(2) 0.01271(10) Uani 1 1 d . . .
P23 P 0.386604(19) 0.17573(3) 0.90683(2) 0.01229(10) Uani 1 1 d . . .
N21 N 0.41747(6) 0.15726(11) 0.99682(7) 0.0151(3) Uani 1 1 d . . .
N22 N 0.32288(6) 0.31321(11) 1.00363(7) 0.0157(3) Uani 1 1 d . . .
N23 N 0.32239(6) 0.26149(11) 0.87162(7) 0.0140(3) Uani 1 1 d . . .
N24 N 0.31533(6) 0.49469(11) 0.90893(7) 0.0151(3) Uani 1 1 d . . .
N25 N 0.21243(6) 0.34823(11) 0.87430(7) 0.0168(3) Uani 1 1 d . . .
N26 N 0.44798(6) 0.22946(11) 0.88770(7) 0.0150(3) Uani 1 1 d . . .
N27 N 0.36693(6) 0.03964(11) 0.86565(7) 0.0150(3) Uani 1 1 d . . .
C31 C 0.41270(9) 0.62544(16) 0.92145(11) 0.0316(4) Uani 1 1 d . . .
H31A H 0.4028 0.6076 0.8695 0.047 Uiso 1 1 calc R . .
H31B H 0.4616 0.6354 0.9507 0.047 Uiso 1 1 calc R . .
H31C H 0.3896 0.7010 0.9236 0.047 Uiso 1 1 calc R . .
C32 C 0.38812(7) 0.52089(14) 0.95304(9) 0.0193(3) Uani 1 1 d . . .
H32A H 0.4145 0.4465 0.9548 0.023 Uiso 1 1 calc R . .
H32B H 0.3965 0.5411 1.0048 0.023 Uiso 1 1 calc R . .
C33 C 0.27082(8) 0.59198(14) 0.91399(9) 0.0188(3) Uani 1 1 d . . .
H33A H 0.2867 0.6725 0.9052 0.023 Uiso 1 1 calc R . .
H33B H 0.2730 0.5925 0.9646 0.023 Uiso 1 1 calc R . .
C34 C 0.19871(8) 0.57168(14) 0.85728(9) 0.0187(3) Uani 1 1 d . . .
H34A H 0.1969 0.5682 0.8068 0.022 Uiso 1 1 calc R . .
H34B H 0.1705 0.6413 0.8587 0.022 Uiso 1 1 calc R . .
C35 C 0.17076(8) 0.45421(14) 0.87266(9) 0.0191(3) Uani 1 1 d . . .
H35A H 0.1687 0.4610 0.9212 0.023 Uiso 1 1 calc R . .
H35B H 0.1241 0.4417 0.8336 0.023 Uiso 1 1 calc R . .
C36 C 0.18059(8) 0.22929(14) 0.87437(9) 0.0202(4) Uani 1 1 d . . .
H36A H 0.1500 0.2390 0.8986 0.024 Uiso 1 1 calc R . .
H36B H 0.2161 0.1697 0.9039 0.024 Uiso 1 1 calc R . .
C37 C 0.14097(10) 0.17990(17) 0.79672(11) 0.0331(4) Uani 1 1 d . . .
H37A H 0.1059 0.2388 0.7672 0.050 Uiso 1 1 calc R . .
H37B H 0.1197 0.1023 0.7992 0.050 Uiso 1 1 calc R . .
H37C H 0.1715 0.1665 0.7733 0.050 Uiso 1 1 calc R . .
C41 C 0.48461(9) 0.39711(16) 0.82964(11) 0.0293(4) Uani 1 1 d . . .
H41A H 0.4956 0.4469 0.8743 0.044 Uiso 1 1 calc R . .
H41B H 0.4691 0.4504 0.7858 0.044 Uiso 1 1 calc R . .
H41C H 0.5250 0.3524 0.8345 0.044 Uiso 1 1 calc R . .
C42 C 0.42924(8) 0.30699(14) 0.82087(9) 0.0184(3) Uani 1 1 d . . .
H42A H 0.3873 0.3525 0.8115 0.022 Uiso 1 1 calc R . .
H42B H 0.4199 0.2542 0.7771 0.022 Uiso 1 1 calc R . .
C43 C 0.50100(8) 0.13780(14) 0.89875(9) 0.0184(3) Uani 1 1 d . . .
H43A H 0.5209 0.1086 0.9510 0.022 Uiso 1 1 calc R . .
H43B H 0.5375 0.1762 0.8895 0.022 Uiso 1 1 calc R . .
C44 C 0.47180(8) 0.02961(15) 0.84619(9) 0.0203(4) Uani 1 1 d . . .
H44A H 0.4492 0.0593 0.7941 0.024 Uiso 1 1 calc R . .
H44B H 0.5088 -0.0262 0.8504 0.024 Uiso 1 1 calc R . .
C45 C 0.42125(8) -0.03927(14) 0.86520(9) 0.0190(3) Uani 1 1 d . . .
H45A H 0.4008 -0.1057 0.8284 0.023 Uiso 1 1 calc R . .
H45B H 0.4455 -0.0774 0.9149 0.023 Uiso 1 1 calc R . .
C46 C 0.31647(8) -0.02962(14) 0.88122(9) 0.0177(3) Uani 1 1 d . . .
H46A H 0.2909 0.0281 0.8977 0.021 Uiso 1 1 calc R . .
H46B H 0.3404 -0.0877 0.9225 0.021 Uiso 1 1 calc R . .
C47 C 0.26735(8) -0.09969(16) 0.81420(9) 0.0241(4) Uani 1 1 d . . .
H47A H 0.2418 -0.0423 0.7740 0.036 Uiso 1 1 calc R . .
H47B H 0.2360 -0.1456 0.8277 0.036 Uiso 1 1 calc R . .
H47C H 0.2923 -0.1566 0.7974 0.036 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'
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'
P P 0.1023 0.0942 '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'
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
N12 P11 N11 122.28(7) . . ?
N12 P11 Cl11 108.11(5) . . ?
N11 P11 Cl11 108.40(5) . . ?
N12 P11 Cl12 108.45(5) . . ?
N11 P11 Cl12 108.58(5) . . ?
Cl11 P11 Cl12 98.38(2) . . ?
N13 P12 N12 112.34(7) . . ?
N13 P12 N15 109.01(7) . . ?
N12 P12 N15 110.03(7) . . ?
N13 P12 N14 110.85(7) . . ?
N12 P12 N14 110.97(7) . . ?
N15 P12 N14 103.25(6) . . ?
N13 P13 N11 115.92(7) . . ?
N13 P13 N16 110.65(7) . . ?
N11 P13 N16 106.88(7) . . ?
N13 P13 N17 109.03(7) . . ?
N11 P13 N17 109.22(7) . . ?
N16 P13 N17 104.50(6) . . ?
P11 N11 P13 118.67(8) . . ?
P11 N12 P12 121.72(8) . . ?
P13 N13 P12 126.42(8) . . ?
C13 N14 C12 114.67(12) . . ?
C13 N14 P12 121.07(10) . . ?
C12 N14 P12 117.89(10) . . ?
C15 N15 C16 113.53(11) . . ?
C15 N15 P12 124.24(10) . . ?
C16 N15 P12 116.44(10) . . ?
C22 N16 C23 114.13(12) . . ?
C22 N16 P13 118.13(10) . . ?
C23 N16 P13 112.52(10) . . ?
C25 N17 C26 112.11(12) . . ?
C25 N17 P13 116.36(10) . . ?
C26 N17 P13 115.72(10) . . ?
N14 C12 C11 114.88(13) . . ?
N14 C13 C14 110.39(12) . . ?
C15 C14 C13 111.17(13) . . ?
N15 C15 C14 112.50(12) . . ?
N15 C16 C17 111.94(13) . . ?
N16 C22 C21 111.69(13) . . ?
N16 C23 C24 111.19(12) . . ?
C25 C24 C23 111.10(13) . . ?
N17 C25 C24 113.02(13) . . ?
N17 C26 C27 111.80(13) . . ?
N22 P21 N21 122.26(7) . . ?
N22 P21 Cl21 108.74(5) . . ?
N21 P21 Cl21 108.09(5) . . ?
N22 P21 Cl22 107.60(5) . . ?
N21 P21 Cl22 109.11(5) . . ?
Cl21 P21 Cl22 98.44(2) . . ?
N23 P22 N22 112.77(7) . . ?
N23 P22 N25 108.30(7) . . ?
N22 P22 N25 110.42(7) . . ?
N23 P22 N24 111.06(7) . . ?
N22 P22 N24 109.59(7) . . ?
N25 P22 N24 104.38(6) . . ?
N23 P23 N21 115.17(7) . . ?
N23 P23 N26 110.18(7) . . ?
N21 P23 N26 107.82(7) . . ?
N23 P23 N27 108.75(7) . . ?
N21 P23 N27 109.06(7) . . ?
N26 P23 N27 105.41(6) . . ?
P21 N21 P23 119.26(8) . . ?
P21 N22 P22 120.98(8) . . ?
P23 N23 P22 126.41(8) . . ?
C33 N24 C32 113.34(12) . . ?
C33 N24 P22 118.15(10) . . ?
C32 N24 P22 113.10(10) . . ?
C35 N25 C36 113.84(12) . . ?
C35 N25 P22 123.02(11) . . ?
C36 N25 P22 115.75(10) . . ?
C43 N26 C42 114.54(12) . . ?
C43 N26 P23 113.06(10) . . ?
C42 N26 P23 118.32(10) . . ?
C45 N27 C46 112.50(11) . . ?
C45 N27 P23 119.28(10) . . ?
C46 N27 P23 114.27(9) . . ?
N24 C32 C31 112.82(13) . . ?
N24 C33 C34 110.67(13) . . ?
C33 C34 C35 111.07(13) . . ?
N25 C35 C34 111.77(12) . . ?
N25 C36 C37 112.12(13) . . ?
N26 C42 C41 111.97(13) . . ?
N26 C43 C44 110.80(12) . . ?
C45 C44 C43 110.34(13) . . ?
N27 C45 C44 113.09(12) . . ?
N27 C46 C47 112.65(13) . . ?
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
Cl11 P11 2.0367(5) . ?
Cl12 P11 2.0512(5) . ?
P11 N12 1.5611(13) . ?
P11 N11 1.5632(13) . ?
P12 N13 1.5932(13) . ?
P12 N12 1.6370(13) . ?
P12 N15 1.6426(13) . ?
P12 N14 1.6457(13) . ?
P13 N13 1.5829(13) . ?
P13 N11 1.6289(13) . ?
P13 N16 1.6591(12) . ?
P13 N17 1.6650(13) . ?
N14 C13 1.4733(19) . ?
N14 C12 1.4743(18) . ?
N15 C15 1.4701(19) . ?
N15 C16 1.4779(19) . ?
N16 C22 1.4765(19) . ?
N16 C23 1.4816(19) . ?
N17 C25 1.4779(19) . ?
N17 C26 1.4810(19) . ?
C11 C12 1.523(2) . ?
C13 C14 1.513(2) . ?
C14 C15 1.511(2) . ?
C16 C17 1.508(2) . ?
C21 C22 1.516(2) . ?
C23 C24 1.528(2) . ?
C24 C25 1.517(2) . ?
C26 C27 1.513(2) . ?
Cl21 P21 2.0351(5) . ?
Cl22 P21 2.0463(5) . ?
P21 N22 1.5605(13) . ?
P21 N21 1.5640(13) . ?
P22 N23 1.5896(12) . ?
P22 N22 1.6368(13) . ?
P22 N25 1.6386(13) . ?
P22 N24 1.6599(13) . ?
P23 N23 1.5810(13) . ?
P23 N21 1.6309(13) . ?
P23 N26 1.6598(12) . ?
P23 N27 1.6631(13) . ?
N24 C33 1.4776(18) . ?
N24 C32 1.4791(19) . ?
N25 C35 1.4681(19) . ?
N25 C36 1.4768(19) . ?
N26 C43 1.4785(19) . ?
N26 C42 1.4784(19) . ?
N27 C45 1.4755(19) . ?
N27 C46 1.4824(18) . ?
C31 C32 1.514(2) . ?
C33 C34 1.509(2) . ?
C34 C35 1.511(2) . ?
C36 C37 1.507(2) . ?
C41 C42 1.515(2) . ?
C43 C44 1.524(2) . ?
C44 C45 1.520(2) . ?
C46 C47 1.510(2) . ?
