data_2012750 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 2002 _journal_volume 58 _journal_page_first m334 _journal_page_last m335 _publ_section_title ; catena-Poly[[tri-n-butyltin]-\m-N-(1-naphthyl)maleamato] ; loop_ _publ_author_name 'Parvez, Masood' 'Ali, Saqib' 'Ahmad, Sajjad' 'Bhatti, Moazzam Hussain' 'Mazhar, Muhammad' _chemical_name_common 'Tri-n-butyltin-N-(1-naphthyl)-maleamate' _chemical_formula_moiety 'C26 H37 N O3 Sn' _chemical_formula_sum 'C26 H37 N O3 Sn' _chemical_formula_weight 530.26 _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' _symmetry_space_group_name_Hall '-P 1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 9.5705(7) _cell_length_b 11.7377(9) _cell_length_c 12.4726(11) _cell_angle_alpha 97.011(3) _cell_angle_beta 107.571(4) _cell_angle_gamma 102.297(6) _cell_volume 1278.71(18) _cell_formula_units_Z 2 _cell_measurement_temperature 170(2) _exptl_crystal_density_diffrn 1.377 _diffrn_ambient_temperature 170(2) loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group _atom_site_type_symbol Sn1 0.22096(5) 0.23271(4) 0.55844(4) 0.0376(2) Uani d . 1 . . Sn O1 -0.0238(5) 0.1951(4) 0.4825(5) 0.0463(12) Uani d . 1 . . O O2 -0.0329(5) 0.3347(5) 0.6164(5) 0.0498(13) Uani d . 1 . . O O3 -0.5023(5) 0.2679(4) 0.6421(4) 0.0420(11) Uani d . 1 . . O N1 -0.2518(6) 0.3604(5) 0.7011(5) 0.0387(13) Uani d . 1 . . N H1 -0.1686 0.3661 0.6833 0.046 Uiso calc R 1 . . H C1 0.2107(8) 0.0846(6) 0.4366(6) 0.0429(17) Uani d . 1 . . C H1A 0.3064 0.0604 0.4634 0.051 Uiso calc R 1 . . H H1B 0.1264 0.0171 0.4332 0.051 Uiso calc R 1 . . H C2 0.1872(8) 0.1093(7) 0.3157(7) 0.0486(18) Uani d . 1 . . C H2A 0.0917 0.1337 0.2891 0.058 Uiso calc R 1 . . H H2B 0.2716 0.1769 0.3193 0.058 Uiso calc R 1 . . H C3 0.1797(9) 0.0041(8) 0.2278(8) 0.062(2) Uani d . 1 . . C H3A 0.1044 -0.0665 0.2311 0.075 Uiso calc R 1 . . H H3B 0.1433 0.0220 0.1501 0.075 Uiso calc R 1 . . H C4 0.3301(9) -0.0257(8) 0.2456(8) 0.056(2) Uani d . 1 . . C H4A 0.3169 -0.0944 0.1868 0.084 Uiso calc R 1 . . H H4B 0.3664 -0.0447 0.3218 0.084 Uiso calc R 1 . . H H4C 0.4045 0.0428 0.2396 0.084 Uiso calc R 1 . . H C5 0.2702(8) 0.4026(6) 0.5116(7) 0.0443(17) Uani d . 1 . . C H5A 0.3051 0.3926 0.4449 0.053 Uiso calc R 1 . . H H5B 0.1739 0.4261 0.4857 0.053 Uiso calc R 1 . . H C6 0.3875(9) 0.5052(7) 0.6027(7) 0.0498(19) Uani d . 1 . . C H6A 0.4801 0.4789 0.6362 0.060 Uiso calc R 1 . . H H6B 0.4156 0.5717 0.5649 0.060 Uiso calc R 1 . . H C7 0.3374(11) 0.5513(8) 0.6985(8) 0.063(2) Uani d . 1 . . C H7A 0.3140 0.4864 0.7393 0.076 Uiso calc R 1 . . H H7B 0.2428 0.5754 0.6656 0.076 Uiso calc R 1 . . H C8 0.4563(12) 0.6566(8) 0.7840(8) 0.074(3) Uani d . 1 . . C H8A 0.4167 0.6846 0.8432 0.111 Uiso calc R 1 . . H H8B 0.4806 0.7210 0.7440 0.111 Uiso calc R 1 . . H H8C 0.5484 0.6322 0.8199 0.111 Uiso calc R 1 . . H C9 0.2300(8) 0.1950(7) 0.7226(7) 0.0462(18) Uani d . 1 . . C H9A 0.3045 0.2616 0.7829 0.055 Uiso calc R 1 . . H H9B 0.1292 0.1885 0.7311 0.055 Uiso calc R 1 . . H C10 0.2756(9) 0.0788(7) 0.7390(7) 0.0523(19) Uani d . 1 . . C H10A 0.2034 0.0142 0.6755 0.063 Uiso calc R 1 . . H H10B 0.3774 0.0875 0.7319 0.063 Uiso calc R 1 . . H C11 0.2802(12) 0.0409(9) 0.8495(9) 0.075(3) Uani d . 1 . . C H11A 0.1773 0.0285 0.8553 0.091 Uiso calc R 1 . . H H11B 0.3054 -0.0367 0.8476 0.091 Uiso calc R 1 . . H C12 0.3876(17) 0.1233(11) 0.9519(10) 0.102(4) Uani d . 1 . . C H12A 0.3820 0.0913 1.0199 0.153 Uiso calc R 1 . . H H12B 0.3626 0.2002 0.9560 0.153 Uiso calc R 1 . . H H12C 0.4906 0.1342 0.9489 0.153 Uiso calc R 1 . . H C13 -0.0952(7) 0.2523(6) 0.5332(7) 0.0416(16) Uani d . 1 . . C C14 -0.2644(7) 0.2095(6) 0.4770(6) 0.0417(16) Uani d . 1 . . C H14 -0.2976 0.1644 0.4011 0.050 Uiso calc R 1 . . H C15 -0.3749(7) 0.2241(6) 0.5157(6) 0.0403(16) Uani d . 1 . . C H15 -0.4731 0.1864 0.4614 0.048 Uiso calc R 1 . . H C16 -0.3797(7) 0.2864(6) 0.6255(6) 0.0362(15) Uani d . 1 . . C C17 -0.2369(8) 0.4304(6) 0.8064(6) 0.0397(16) Uani d . 1 . . C C18 -0.3221(9) 0.3905(7) 0.8721(7) 0.0490(18) Uani d . 1 . . C H18 -0.3943 0.3149 0.8459 0.059 Uiso calc R 1 . . H C19 -0.3030(10) 0.4605(8) 0.9775(7) 0.058(2) Uani d . 1 . . C H19 -0.3652 0.4329 1.0207 0.069 Uiso calc R 1 . . H C20 -0.1983(11) 0.5661(8) 1.0186(7) 0.059(2) Uani d . 1 . . C H20 -0.1847 0.6104 1.0917 0.070 Uiso calc R 1 . . H C21 -0.1082(9) 0.6121(7) 0.9542(7) 0.0482(18) Uani d . 1 . . C C22 -0.0005(10) 0.7234(8) 0.9929(8) 0.061(2) Uani d . 1 . . C H22 0.0131 0.7698 1.0650 0.073 Uiso calc R 1 . . H C23 0.0842(11) 0.7662(8) 0.9303(8) 0.063(2) Uani d . 1 . . C H23 0.1562 0.8418 0.9586 0.076 Uiso calc R 1 . . H C24 0.0662(10) 0.6995(7) 0.8240(7) 0.053(2) Uani d . 1 . . C H24 0.1254 0.7300 0.7799 0.064 Uiso calc R 1 . . H C25 -0.0363(8) 0.5905(7) 0.7835(7) 0.0453(17) Uani d . 1 . . C H25 -0.0471 0.5459 0.7112 0.054 Uiso calc R 1 . . H C26 -0.1263(8) 0.5430(6) 0.8461(6) 0.0407(16) Uani d . 1 . . C loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Sn1 0.0266(3) 0.0457(3) 0.0427(3) 0.01165(19) 0.0152(2) 0.0041(2) O1 0.030(2) 0.055(3) 0.053(3) 0.013(2) 0.016(2) -0.001(2) O2 0.026(2) 0.058(3) 0.059(3) 0.009(2) 0.014(2) -0.010(3) O3 0.023(2) 0.057(3) 0.047(3) 0.013(2) 0.014(2) 0.006(2) N1 0.029(3) 0.047(3) 0.044(3) 0.013(2) 0.018(3) 0.007(3) C1 0.032(4) 0.046(4) 0.047(4) 0.009(3) 0.015(3) -0.002(3) C2 0.036(4) 0.066(5) 0.046(4) 0.027(3) 0.012(3) 0.001(4) C3 0.043(4) 0.077(6) 0.055(5) 0.021(4) 0.007(4) -0.012(4) C4 0.047(4) 0.065(5) 0.058(5) 0.022(4) 0.023(4) -0.005(4) C5 0.038(4) 0.049(4) 0.051(5) 0.016(3) 0.018(3) 0.015(3) C6 0.048(4) 0.042(4) 0.062(5) 0.012(3) 0.020(4) 0.016(4) C7 0.070(6) 0.053(5) 0.062(6) 0.003(4) 0.029(5) 0.007(4) C8 0.093(7) 0.055(5) 0.062(6) 0.003(5) 0.023(5) 0.005(4) C9 0.032(4) 0.064(5) 0.050(5) 0.015(3) 0.022(3) 0.010(4) C10 0.046(4) 0.057(5) 0.060(5) 0.021(4) 0.020(4) 0.017(4) C11 0.073(6) 0.076(6) 0.076(7) 0.024(5) 0.018(5) 0.023(5) C12 0.131(11) 0.094(9) 0.074(8) 0.025(8) 0.023(8) 0.030(7) C13 0.025(3) 0.050(4) 0.048(4) 0.011(3) 0.013(3) 0.003(3) C14 0.028(3) 0.052(4) 0.040(4) 0.009(3) 0.009(3) -0.001(3) C15 0.021(3) 0.050(4) 0.046(4) 0.011(3) 0.007(3) 0.002(3) C16 0.025(3) 0.043(4) 0.042(4) 0.014(3) 0.010(3) 0.009(3) C17 0.035(4) 0.051(4) 0.040(4) 0.021(3) 0.014(3) 0.011(3) C18 0.045(4) 0.060(5) 0.047(5) 0.015(4) 0.022(4) 0.012(4) C19 0.056(5) 0.078(6) 0.050(5) 0.024(4) 0.027(4) 0.017(4) C20 0.071(6) 0.075(6) 0.040(5) 0.034(5) 0.025(4) 0.009(4) C21 0.051(4) 0.051(4) 0.040(4) 0.020(4) 0.009(4) 0.002(3) C22 0.068(6) 0.057(5) 0.045(5) 0.018(4) 0.003(4) 0.001(4) C23 0.065(6) 0.053(5) 0.055(5) 0.005(4) 0.008(4) 0.004(4) C24 0.056(5) 0.053(5) 0.044(5) 0.011(4) 0.008(4) 0.011(4) C25 0.043(4) 0.048(4) 0.039(4) 0.011(3) 0.007(3) 0.005(3) C26 0.035(4) 0.047(4) 0.041(4) 0.019(3) 0.008(3) 0.009(3) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Sn1 C1 . 2.129(7) y Sn1 C9 . 2.127(8) y Sn1 C5 . 2.142(7) y Sn1 O1 . 2.167(5) y Sn1 O3 1_655 2.457(4) y O1 C13 . 1.293(8) y O2 C13 . 1.226(9) y O3 C16 . 1.231(8) y O3 Sn1 1_455 2.457(4) n N1 C16 . 1.339(9) y N1 C17 . 1.412(9) y N1 H1 . 0.8800 n C1 C2 . 1.529(11) n C1 H1A . 0.9900 n C1 H1B . 0.9900 n C2 C3 . 1.521(11) n C2 H2A . 0.9900 n C2 H2B . 0.9900 n C3 C4 . 1.511(11) n C3 H3A . 0.9900 n C3 H3B . 0.9900 n C4 H4A . 0.9800 n C4 H4B . 0.9800 n C4 H4C . 0.9800 n C5 C6 . 1.524(11) n C5 H5A . 0.9900 n C5 H5B . 0.9900 n C6 C7 . 1.499(12) n C6 H6A . 0.9900 n C6 H6B . 0.9900 n C7 C8 . 1.519(12) n C7 H7A . 0.9900 n C7 H7B . 0.9900 n C8 H8A . 0.9800 n C8 H8B . 0.9800 n C8 H8C . 0.9800 n C9 C10 . 1.537(11) n C9 H9A . 0.9900 n C9 H9B . 0.9900 n C10 C11 . 1.490(13) n C10 H10A . 0.9900 n C10 H10B . 0.9900 n C11 C12 . 1.451(15) n C11 H11A . 0.9900 n C11 H11B . 0.9900 n C12 H12A . 0.9800 n C12 H12B . 0.9800 n C12 H12C . 0.9800 n C13 C14 . 1.499(9) n C14 C15 . 1.321(10) n C14 H14 . 0.9500 n C15 C16 . 1.491(10) n C15 H15 . 0.9500 n C17 C18 . 1.375(10) n C17 C26 . 1.429(10) n C18 C19 . 1.402(12) n C18 H18 . 0.9500 n C19 C20 . 1.345(13) n C19 H19 . 0.9500 n C20 C21 . 1.416(12) n C20 H20 . 0.9500 n C21 C22 . 1.405(12) n C21 C26 . 1.428(10) n C22 C23 . 1.350(13) n C22 H22 . 0.9500 n C23 C24 . 1.397(12) n C23 H23 . 0.9500 n C24 C25 . 1.364(11) n C24 H24 . 0.9500 n C25 C26 . 1.403(10) n C25 H25 . 0.9500 n