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#$Date: 2025-08-20 15:05:43 +0300 (Wed, 20 Aug 2025) $
#$Revision: 301829 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/11/4061138.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_4061138
loop_
_publ_author_name
'Zhang, Fan'
'Bolte, Michael'
'Lerner, Hans-Wolfram'
'Wagner, Matthias'
_publ_section_title
;
 Tl(I)-, Cu(I)-, and Ag(I) Complexes of the Ditopic 1,3-Phenylene-Bridged
 Heteroscorpionate Ligand [1,3-C6H4(tBuBpz2)2]2-
;
_journal_coden_ASTM              ORGND7
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              5075
_journal_page_last               5080
_journal_paper_doi               10.1021/om049531c
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C62 H64 Ag2 B2 N8 P2'
_chemical_formula_weight         1220.51
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                100.432(11)
_cell_angle_beta                 100.391(11)
_cell_angle_gamma                112.787(11)
_cell_formula_units_Z            2
_cell_length_a                   12.2675(18)
_cell_length_b                   13.5058(19)
_cell_length_c                   20.106(3)
_cell_measurement_temperature    173(2)
_cell_volume                     2902.9(7)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.396
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4061138
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.06803(6) 0.26084(6) 0.14140(3) 0.04546(19) Uani 1 1 d . . .
P1 P -0.13545(18) 0.17976(18) 0.14759(10) 0.0401(5) Uani 1 1 d . . .
B1 B 0.3652(8) 0.3910(7) 0.1656(4) 0.033(2) Uani 1 1 d . . .
C1 C 0.5120(7) 0.4583(6) 0.1842(4) 0.0384(18) Uani 1 1 d . . .
C1A C 0.5734(8) 0.4438(8) 0.2540(4) 0.059(3) Uani 1 1 d . . .
H1A1 H 0.5365 0.4633 0.2907 0.089 Uiso 1 1 calc R . .
H1A2 H 0.6618 0.4931 0.2684 0.089 Uiso 1 1 calc R . .
H1A3 H 0.5606 0.3660 0.2471 0.089 Uiso 1 1 calc R . .
C1B C 0.5747(8) 0.4274(8) 0.1277(5) 0.060(3) Uani 1 1 d . . .
H1B1 H 0.5386 0.4368 0.0830 0.090 Uiso 1 1 calc R . .
H1B2 H 0.5615 0.3496 0.1212 0.090 Uiso 1 1 calc R . .
H1B3 H 0.6631 0.4766 0.1436 0.090 Uiso 1 1 calc R . .
C1C C 0.5501(7) 0.5876(7) 0.1999(4) 0.053(2) Uani 1 1 d . . .
H1C1 H 0.5154 0.6038 0.1576 0.080 Uiso 1 1 calc R . .
H1C2 H 0.6400 0.6284 0.2135 0.080 Uiso 1 1 calc R . .
H1C3 H 0.5186 0.6110 0.2384 0.080 Uiso 1 1 calc R . .
Ag2 Ag 0.44685(8) 0.71540(8) 0.37744(4) 0.0723(3) Uani 1 1 d . A .
P2 P 0.6394(2) 0.7503(2) 0.44671(11) 0.0552(7) Uani 1 1 d . . .
B2 B 0.1908(9) 0.6656(8) 0.2706(5) 0.041(2) Uani 1 1 d . . .
C2 C 0.0551(7) 0.6207(7) 0.2143(5) 0.050(2) Uani 1 1 d . . .
C2A C 0.0581(8) 0.5652(7) 0.1397(4) 0.057(2) Uani 1 1 d . . .
H2A1 H 0.1185 0.6210 0.1237 0.085 Uiso 1 1 calc R . .
H2A2 H -0.0235 0.5359 0.1065 0.085 Uiso 1 1 calc R . .
H2A3 H 0.0812 0.5038 0.1421 0.085 Uiso 1 1 calc R . .
C2B C -0.0403(8) 0.5283(8) 0.2340(5) 0.067(3) Uani 1 1 d . . .
H2B1 H -0.0461 0.5577 0.2808 0.101 Uiso 1 1 calc R . .
H2B2 H -0.0161 0.4672 0.2344 0.101 Uiso 1 1 calc R . .
H2B3 H -0.1204 0.5002 0.1995 0.101 Uiso 1 1 calc R . .
C2C C 0.0104(8) 0.7123(8) 0.2068(5) 0.062(3) Uani 1 1 d . . .
H2C1 H 0.0717 0.7719 0.1937 0.093 Uiso 1 1 calc R . .
H2C2 H -0.0006 0.7435 0.2517 0.093 Uiso 1 1 calc R . .
H2C3 H -0.0682 0.6793 0.1702 0.093 Uiso 1 1 calc R . .
N12 N 0.2057(6) 0.1895(5) 0.1480(3) 0.0450(17) Uani 1 1 d . . .
N11 N 0.3238(5) 0.2576(5) 0.1522(3) 0.0337(14) Uani 1 1 d . . .
C15 C 0.3870(8) 0.1965(7) 0.1405(5) 0.054(2) Uani 1 1 d . . .
H15 H 0.4712 0.2245 0.1410 0.065 Uiso 1 1 calc R . .
C14 C 0.3049(10) 0.0841(7) 0.1277(5) 0.065(3) Uani 1 1 d . . .
H14 H 0.3217 0.0208 0.1179 0.078 Uiso 1 1 calc R . .
C13 C 0.1958(10) 0.0850(7) 0.1323(4) 0.057(3) Uani 1 1 d . . .
H13 H 0.1222 0.0199 0.1252 0.068 Uiso 1 1 calc R . .
N22 N 0.1707(5) 0.3561(5) 0.0744(3) 0.0364(15) Uani 1 1 d . . .
N21 N 0.2950(5) 0.4001(5) 0.0930(3) 0.0325(14) Uani 1 1 d . . .
C25 C 0.3382(7) 0.4522(6) 0.0446(4) 0.045(2) Uani 1 1 d . . .
H25 H 0.4221 0.4899 0.0457 0.054 Uiso 1 1 calc R . .
C24 C 0.2375(8) 0.4400(8) -0.0062(4) 0.057(3) Uani 1 1 d . . .
H24 H 0.2386 0.4683 -0.0462 0.069 Uiso 1 1 calc R . .
C23 C 0.1359(8) 0.3786(7) 0.0131(4) 0.053(2) Uani 1 1 d . . .
H23 H 0.0531 0.3551 -0.0127 0.064 Uiso 1 1 calc R . .
N32 N 0.4165(6) 0.7873(5) 0.2848(3) 0.0474(18) Uani 1 1 d . . .
N31 N 0.2977(5) 0.7587(5) 0.2511(3) 0.0384(16) Uani 1 1 d . A .
C35 C 0.2988(8) 0.8190(8) 0.2039(4) 0.061(3) Uani 1 1 d . . .
H35 H 0.2284 0.8153 0.1727 0.074 Uiso 1 1 calc R A .
C34 C 0.4185(9) 0.8862(9) 0.2089(5) 0.073(3) Uani 1 1 d . A .
H34 H 0.4466 0.9365 0.1816 0.087 Uiso 1 1 calc R . .
C33 C 0.4903(8) 0.8666(7) 0.2611(4) 0.050(2) Uani 1 1 d . A .
H33 H 0.5775 0.9032 0.2775 0.060 Uiso 1 1 calc R . .
N42 N 0.2935(8) 0.7582(6) 0.4020(4) 0.060(2) Uani 1 1 d . . .
N41 N 0.1922(7) 0.7265(5) 0.3481(4) 0.0463(18) Uani 1 1 d . A .
C45 C 0.1119(10) 0.7511(8) 0.3717(6) 0.065(3) Uani 1 1 d . . .
H45 H 0.0335 0.7360 0.3431 0.078 Uiso 1 1 calc R A .
C44 C 0.1537(11) 0.8024(8) 0.4443(6) 0.080(4) Uani 1 1 d . A .
H44 H 0.1137 0.8288 0.4746 0.096 Uiso 1 1 calc R . .
C43 C 0.2706(10) 0.8044(7) 0.4601(5) 0.065(3) Uani 1 1 d . A .
H43 H 0.3265 0.8344 0.5059 0.078 Uiso 1 1 calc R . .
C51 C 0.3076(6) 0.4301(6) 0.2246(4) 0.0299(16) Uani 1 1 d . . .
C52 C 0.2786(6) 0.5229(6) 0.2272(4) 0.0361(19) Uani 1 1 d . . .
H52 H 0.2922 0.5590 0.1911 0.043 Uiso 1 1 calc R . .
C53 C 0.2328(7) 0.5652(7) 0.2772(4) 0.0389(19) Uani 1 1 d . . .
C54 C 0.2171(8) 0.5129(7) 0.3322(5) 0.060(3) Uani 1 1 d . . .
H54 H 0.1853 0.5386 0.3678 0.071 Uiso 1 1 calc R . .
C55 C 0.2477(9) 0.4247(8) 0.3344(5) 0.062(3) Uani 1 1 d . . .
H55 H 0.2399 0.3927 0.3727 0.074 Uiso 1 1 calc R . .
C56 C 0.2891(8) 0.3831(7) 0.2821(4) 0.050(2) Uani 1 1 d . . .
H56 H 0.3061 0.3207 0.2843 0.060 Uiso 1 1 calc R . .
C101 C -0.1940(7) 0.0281(7) 0.1269(4) 0.045(2) Uani 1 1 d . . .
C102 C -0.1720(9) -0.0272(8) 0.0703(5) 0.063(3) Uani 1 1 d . . .
H102 H -0.1277 0.0141 0.0426 0.076 Uiso 1 1 calc R . .
C103 C -0.2136(9) -0.1438(9) 0.0524(5) 0.068(3) Uani 1 1 d . . .
H103 H -0.1980 -0.1810 0.0130 0.082 Uiso 1 1 calc R . .
C104 C -0.2788(9) -0.2049(8) 0.0938(6) 0.072(3) Uani 1 1 d . . .
H104 H -0.3067 -0.2836 0.0836 0.087 Uiso 1 1 calc R . .
C105 C -0.3001(10) -0.1478(9) 0.1481(6) 0.073(3) Uani 1 1 d . . .
H105 H -0.3456 -0.1890 0.1754 0.088 Uiso 1 1 calc R . .
C106 C -0.2602(8) -0.0336(7) 0.1668(4) 0.053(2) Uani 1 1 d . . .
H106 H -0.2773 0.0024 0.2061 0.063 Uiso 1 1 calc R . .
C111 C -0.1606(8) 0.2189(8) 0.2337(4) 0.057(2) Uani 1 1 d . . .
C112 C -0.0711(13) 0.2298(19) 0.2887(5) 0.198(10) Uani 1 1 d . . .
H112 H 0.0012 0.2251 0.2811 0.237 Uiso 1 1 calc R . .
C113 C -0.085(2) 0.248(3) 0.3568(6) 0.273(16) Uani 1 1 d . . .
H113 H -0.0296 0.2432 0.3945 0.327 Uiso 1 1 calc R . .
C114 C -0.1781(19) 0.2720(16) 0.3681(6) 0.167(9) Uani 1 1 d . . .
H114 H -0.1804 0.2977 0.4148 0.200 Uiso 1 1 calc R . .
C115 C -0.2673(13) 0.2598(12) 0.3136(6) 0.115(5) Uani 1 1 d . . .
H115 H -0.3385 0.2672 0.3208 0.138 Uiso 1 1 calc R . .
C116 C -0.2542(12) 0.2364(9) 0.2468(5) 0.083(4) Uani 1 1 d . . .
H116 H -0.3150 0.2327 0.2085 0.100 Uiso 1 1 calc R . .
C121 C -0.2429(7) 0.1985(6) 0.0837(4) 0.0344(17) Uani 1 1 d . . .
C122 C -0.1966(8) 0.2761(8) 0.0457(4) 0.057(3) Uani 1 1 d . . .
H122 H -0.1105 0.3206 0.0566 0.069 Uiso 1 1 calc R . .
C123 C -0.2757(10) 0.2880(9) -0.0073(5) 0.069(3) Uani 1 1 d . . .
H123 H -0.2421 0.3383 -0.0336 0.083 Uiso 1 1 calc R . .
C124 C -0.3985(10) 0.2307(8) -0.0229(5) 0.067(3) Uani 1 1 d . . .
H124 H -0.4501 0.2424 -0.0588 0.080 Uiso 1 1 calc R . .
C125 C -0.4508(8) 0.1538(7) 0.0138(4) 0.055(2) Uani 1 1 d . . .
H125 H -0.5375 0.1128 0.0034 0.066 Uiso 1 1 calc R . .
C126 C -0.3706(7) 0.1395(7) 0.0664(4) 0.046(2) Uani 1 1 d . . .
H126 H -0.4049 0.0872 0.0915 0.056 Uiso 1 1 calc R . .
C201 C 0.6685(11) 0.8275(7) 0.5374(5) 0.074(3) Uani 1 1 d . A .
C202 C 0.7357(12) 0.8151(8) 0.5952(5) 0.110(5) Uani 1 1 d . . .
H202 H 0.7734 0.7658 0.5891 0.132 Uiso 1 1 calc R A .
C203 C 0.7485(18) 0.8740(10) 0.6621(6) 0.152(8) Uani 1 1 d . A .
H203 H 0.7955 0.8645 0.7014 0.182 Uiso 1 1 calc R . .
C204 C 0.696(2) 0.9445(12) 0.6732(8) 0.191(12) Uani 1 1 d . . .
H204 H 0.7096 0.9850 0.7201 0.229 Uiso 1 1 calc R A .
C205 C 0.6243(18) 0.9594(11) 0.6183(8) 0.148(7) Uani 1 1 d . A .
H205 H 0.5875 1.0091 0.6263 0.177 Uiso 1 1 calc R . .
C206 C 0.6078(14) 0.8969(9) 0.5494(6) 0.107(5) Uani 1 1 d . . .
H206 H 0.5550 0.9016 0.5105 0.129 Uiso 1 1 calc R A .
C211 C 0.6820(8) 0.6382(7) 0.4543(4) 0.044(2) Uani 1 1 d . A .
C212 C 0.7994(10) 0.6519(9) 0.4722(6) 0.098(4) Uani 1 1 d . . .
H212 H 0.8650 0.7231 0.4792 0.117 Uiso 1 1 calc R A .
C213 C 0.8251(13) 0.5614(12) 0.4804(8) 0.129(6) Uani 1 1 d . A .
H213 H 0.9080 0.5716 0.4920 0.155 Uiso 1 1 calc R . .
C214 C 0.7320(16) 0.4583(11) 0.4720(7) 0.102(5) Uani 1 1 d . . .
H214 H 0.7494 0.3977 0.4790 0.122 Uiso 1 1 calc R A .
C215 C 0.6167(12) 0.4459(8) 0.4535(5) 0.071(3) Uani 1 1 d . A .
H215 H 0.5510 0.3750 0.4468 0.085 Uiso 1 1 calc R . .
C216 C 0.5900(8) 0.5339(7) 0.4438(4) 0.048(2) Uani 1 1 d . . .
H216 H 0.5066 0.5217 0.4296 0.058 Uiso 1 1 calc R A .
C221 C 0.7867(15) 0.8524(14) 0.4164(10) 0.028(4) Uani 0.516(10) 1 d PU A 1
C222 C 0.771(2) 0.8239(17) 0.3472(10) 0.047(5) Uani 0.516(10) 1 d PU A 1
H222 H 0.6967 0.7678 0.3150 0.057 Uiso 0.516(10) 1 calc PR A 1
C223 C 0.8662(9) 0.8787(9) 0.3273(5) 0.078(3) Uani 1 1 d . . .
H22A H 0.8546 0.8540 0.2781 0.094 Uiso 0.516(10) 1 d PR A 1
H22B H 0.8984 0.8550 0.2912 0.094 Uiso 0.484(10) 1 d PR A 2
C224 C 0.9732(9) 0.9645(9) 0.3650(5) 0.059(5) Uani 0.516(10) 1 d PR A 1
H224 H 1.0346 1.0026 0.3441 0.071 Uiso 0.516(10) 1 calc PR A 1
C225 C 0.9881(16) 0.9935(13) 0.4363(9) 0.061(6) Uani 0.516(10) 1 d P A 1
H225 H 1.0618 1.0528 0.4673 0.074 Uiso 0.516(10) 1 calc PR A 1
C226 C 0.8930(14) 0.9340(14) 0.4614(9) 0.059(6) Uani 0.516(10) 1 d P A 1
H226 H 0.9019 0.9503 0.5106 0.070 Uiso 0.516(10) 1 calc PR A 1
C231 C 0.7314(19) 0.8331(17) 0.4136(10) 0.035(5) Uani 0.484(10) 1 d PU A 2
C232 C 0.786(2) 0.7964(18) 0.3634(12) 0.047(6) Uani 0.484(10) 1 d PU A 2
H232 H 0.7736 0.7206 0.3519 0.056 Uiso 0.484(10) 1 calc PR A 2
C234 C 0.8883(18) 0.9844(16) 0.3488(10) 0.057(5) Uani 0.484(10) 1 d P A 2
H234 H 0.9472 1.0379 0.3332 0.068 Uiso 0.484(10) 1 calc PR A 2
C235 C 0.8312(17) 1.0194(15) 0.3918(10) 0.060(6) Uani 0.484(10) 1 d P A 2
H235 H 0.8451 1.0955 0.4018 0.072 Uiso 0.484(10) 1 calc PR A 2
C236 C 0.7521(14) 0.9489(13) 0.4227(8) 0.044(4) Uani 0.484(10) 1 d P A 2
H236 H 0.7104 0.9775 0.4506 0.052 Uiso 0.484(10) 1 calc PR A 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
Ag1 N12 2.242(6) . ?
Ag1 N22 2.246(5) . ?
Ag1 P1 2.343(2) . ?
P1 C121 1.794(7) . ?
P1 C101 1.824(9) . ?
P1 C111 1.834(9) . ?
B1 C51 1.596(11) . ?
B1 C1 1.605(11) . ?
B1 N21 1.608(8) . ?
B1 N11 1.625(10) . ?
C1 C1A 1.552(9) . ?
C1 C1B 1.563(11) . ?
C1 C1C 1.575(10) . ?
C1A H1A1 0.9800 . ?
C1A H1A2 0.9800 . ?
C1A H1A3 0.9800 . ?
C1B H1B1 0.9800 . ?
C1B H1B2 0.9800 . ?
C1B H1B3 0.9800 . ?
C1C H1C1 0.9800 . ?
C1C H1C2 0.9800 . ?
C1C H1C3 0.9800 . ?
Ag2 N42 2.279(7) . ?
Ag2 N32 2.288(5) . ?
Ag2 P2 2.336(3) . ?
P2 C231 1.591(18) . ?
P2 C211 1.805(7) . ?
P2 C201 1.823(9) . ?
P2 C221 2.077(18) . ?
B2 N31 1.593(10) . ?
B2 N41 1.620(11) . ?
B2 C53 1.644(10) . ?
B2 C2 1.647(12) . ?
C2 C2B 1.518(11) . ?
C2 C2C 1.555(9) . ?
C2 C2A 1.564(12) . ?
C2A H2A1 0.9800 . ?
C2A H2A2 0.9800 . ?
C2A H2A3 0.9800 . ?
C2B H2B1 0.9800 . ?
C2B H2B2 0.9800 . ?
C2B H2B3 0.9800 . ?
C2C H2C1 0.9800 . ?
C2C H2C2 0.9800 . ?
C2C H2C3 0.9800 . ?
N12 C13 1.341(10) . ?
N12 N11 1.360(8) . ?
N11 C15 1.352(9) . ?
C15 C14 1.402(12) . ?
C15 H15 0.9500 . ?
C14 C13 1.362(12) . ?
C14 H14 0.9500 . ?
C13 H13 0.9500 . ?
N22 N21 1.353(7) . ?
N22 C23 1.354(7) . ?
N21 C25 1.365(8) . ?
C25 C24 1.388(10) . ?
C25 H25 0.9500 . ?
C24 C23 1.373(11) . ?
C24 H24 0.9500 . ?
C23 H23 0.9500 . ?
N32 C33 1.335(9) . ?
N32 N31 1.358(8) . ?
N31 C35 1.357(7) . ?
C35 C34 1.368(12) . ?
C35 H35 0.9500 . ?
C34 C33 1.377(10) . ?
C34 H34 0.9500 . ?
C33 H33 0.9500 . ?
N42 C43 1.351(10) . ?
N42 N41 1.354(10) . ?
N41 C45 1.292(10) . ?
C45 C44 1.401(14) . ?
C45 H45 0.9500 . ?
C44 C43 1.399(13) . ?
C44 H44 0.9500 . ?
C43 H43 0.9500 . ?
C51 C52 1.425(9) . ?
C51 C56 1.429(8) . ?
C52 C53 1.377(10) . ?
C52 H52 0.9500 . ?
C53 C54 1.419(8) . ?
C54 C55 1.386(9) . ?
C54 H54 0.9500 . ?
C55 C56 1.370(11) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C101 C102 1.374(12) . ?
C101 C106 1.397(9) . ?
C102 C103 1.405(12) . ?
C102 H102 0.9500 . ?
C103 C104 1.410(12) . ?
C103 H103 0.9500 . ?
C104 C105 1.344(13) . ?
C104 H104 0.9500 . ?
C105 C106 1.379(12) . ?
C105 H105 0.9500 . ?
C106 H106 0.9500 . ?
C111 C116 1.318(12) . ?
C111 C112 1.353(12) . ?
C112 C113 1.399(15) . ?
C112 H112 0.9500 . ?
C113 C114 1.350(19) . ?
C113 H113 0.9500 . ?
C114 C115 1.337(17) . ?
C114 H114 0.9500 . ?
C115 C116 1.375(13) . ?
C115 H115 0.9500 . ?
C116 H116 0.9500 . ?
C121 C126 1.396(10) . ?
C121 C122 1.411(9) . ?
C122 C123 1.383(11) . ?
C122 H122 0.9500 . ?
C123 C124 1.344(13) . ?
C123 H123 0.9500 . ?
C124 C125 1.403(11) . ?
C124 H124 0.9500 . ?
C125 C126 1.404(10) . ?
C125 H125 0.9500 . ?
C126 H126 0.9500 . ?
C201 C202 1.375(13) . ?
C201 C206 1.419(14) . ?
C202 C203 1.381(16) . ?
C202 H202 0.9500 . ?
C203 C204 1.35(2) . ?
C203 H203 0.9500 . ?
C204 C205 1.38(3) . ?
C204 H204 0.9500 . ?
C205 C206 1.420(16) . ?
C205 H205 0.9500 . ?
C206 H206 0.9500 . ?
C211 C212 1.349(12) . ?
C211 C216 1.370(11) . ?
C212 C213 1.405(13) . ?
C212 H212 0.9500 . ?
C213 C214 1.372(17) . ?
C213 H213 0.9500 . ?
C214 C215 1.331(16) . ?
C214 H214 0.9500 . ?
C215 C216 1.385(11) . ?
C215 H215 0.9500 . ?
C216 H216 0.9500 . ?
C221 C222 1.33(3) . ?
C221 C226 1.35(2) . ?
C222 C223 1.29(2) . ?
C222 H222 0.9500 . ?
C223 C234 1.32(2) . ?
C223 C224 1.3362 . ?
C223 C232 1.56(2) . ?
C223 H22A 0.9499 . ?
C223 H22B 0.9500 . ?
C224 C225 1.373(19) . ?
C224 H224 0.9500 . ?
C225 C226 1.38(2) . ?
C225 H225 0.9500 . ?
C226 H226 0.9500 . ?
C231 C232 1.43(3) . ?
C231 C236 1.45(2) . ?
C232 H232 0.9500 . ?
C234 C235 1.34(3) . ?
C234 H234 0.9500 . ?
C235 C236 1.40(2) . ?
C235 H235 0.9500 . ?
C236 H236 0.9500 . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139096401
