#------------------------------------------------------------------------------ #$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $ #$Revision: 481 $ #$URL: svn://www.crystallography.net/cod/cif/2/2002034.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_2002034 _journal_name_full 'Acta Crystallographica Section C' _journal_year 1993 _journal_volume 49 _journal_page_first 22 _journal_page_last 26 loop_ _publ_author_name 'Caira, M.R.' 'Nassimbeni, L.R.' 'Stephen, A.M.' 'Schalkwyk, T.G.D.van.' _chemical_formula_moiety 'C24 H42 N4,Cl6 Sn1' _chemical_formula_sum 'C24 H42 Cl6 N4 Sn1' _chemical_formula_weight 718.0 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21' _symmetry_space_group_name_Hall ? _cell_length_a 9.998(2) _cell_length_b 10.6490(10) _cell_length_c 15.637(4) _cell_angle_alpha 90 _cell_angle_beta 102.03(2) _cell_angle_gamma 90 _cell_volume 1628.3(3) _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 1.465 _exptl_crystal_density_meas 1.480(10) _exptl_crystal_F_000 732 _exptl_absorpt_coefficient_mu 1.30 _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71069 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Sn(1) .2439 0 .24820(10) .0360(10) Cl(1) .4777(2) .0300(5) .3283(2) .060(2) Cl(2) .1608(3) .1355(5) .3503(3) .0650(10) Cl(3) .2223(3) -.1835(6) .3355(2) .0670(10) Cl(4) .0122(2) -.0326(5) .1669(2) .0560(10) Cl(5) .3305(3) -.1327(6) .1438(3) .072(2) Cl(6) .2687(3) .1838(5) .1594(2) .0600(10) N(1) .7443(8) -.1046(10) .4727(6) .047(4) N(2) .7218(9) -.2029(10) .4112(5) .051(4) N(15) -.2524(8) .1115(9) .0231(5) .040(4) N(16) -.2394(9) .2136(10) .0820(6) .059(4) C(3) .8020(18) -.1829(16) .3594(11) .099(8) C(4) .8915(19) -.0728(16) .3754(11) .119(9) C(5) .8633(9) -.0214(13) .4605(7) .056(5) C(6) .794(3) -.266(2) .2812(12) .179(15) C(7) .8240(14) .1163(14) .4498(11) .084(7) C(8) .9775(13) -.036(3) .5384(13) .164(13) C(9) .6621(9) -.0959(11) .5266(7) .050(4) C(10) .5475(9) -.1856(12) .5268(7) .051(4) C(11) .4796(10) -.1377(13) .5995(8) .062(4) C(12) .551(3) -.023(3) .637(2) .245(18) C(13) .6721(11) .0017(16) .5985(7) .069(5) C(14A) .358(2) -.055(3) .5691(19) .088(11) C(14B) .518(3) .063(3) .7056(17) .114(16) C(17) -.3239(11) .1932(11) .1317(7) .053(4) C(18) -.4022(14) .0785(16) .1131(10) .095(8) C(19) -.3762(9) .0294(11) .0275(8) .058(5) C(20) -.3396(15) .2823(15) .2015(9) .077(6) C(21) -.3402(13) -.1080(12) .0325(10) .069(5) C(22) -.4920(12) .0610(15) -.0468(9) .088(6) C(23) -.1653(8) .1018(10) -.0254(5) .037(4) C(24) -.0460(9) .1859(12) -.0184(7) .054(4) C(25) .0424(10) .1249(13) -.0781(8) .061(5) C(26) -.0622(11) .0582(12) -.1447(6) .056(4) C(27) -.1596(9) .0021(14) -.0908(7) .061(4) C(28) -.0013(13) -.0449(11) -.1902(8) .064(5)