#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2006025.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_2006025
_journal_name_full  'Acta Crystallographica'
_journal_year 1997
_journal_volume 	C53
_journal_page_first 	406
_journal_page_last 	408
_publ_section_title 	
;
Dichlorodimethylbis(3-methyladenine-N^7^)tin(IV)
;
_chemical_formula_moiety 	'[Sn Cl2 (C H3)2 (C6 H7 N5)2]'
_chemical_formula_sum 	'C14 H20 Cl2 N10 Sn'
_chemical_formula_weight 	518.0
_symmetry_cell_setting 	monoclinic
loop_
_symmetry_equiv_pos_as_xyz
 'x,y,z'
 '1/2-x,1/2+y,-z'
 '-x,-y,-z'
 '1/2+x,1/2-y,z'
_symmetry_space_group_name_H-M 	'P 21/a'
_cell_length_a 	7.435(2)
_cell_length_b 	18.709(3)
_cell_length_c 	7.5618(13)
_cell_angle_alpha 	90.0
_cell_angle_beta 	113.078(14)
_cell_angle_gamma 	90.0
_cell_volume 	967.7(4)
_cell_formula_units_Z 	2
_exptl_crystal_density_diffrn 	1.778
_cell_measurement_temperature 	294
_refine_ls_R_factor_obs 	0.043
_refine_ls_wR_factor_obs 	0.054
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 Sn 1.00000 0.00000 1.00000 0.0286(3)
 Cl 1.22355(18) -0.01780(6) 0.81218(17) 0.0440(7)
 N1 0.9368(5) 0.2903(2) 1.1277(4) 0.034(2)
 C2 0.9341(7) 0.3297(2) 0.9839(5) 0.035(2)
 N3 0.9294(5) 0.3055(1) 0.8145(4) 0.031(2)
 C4 0.9296(5) 0.2329(2) 0.7933(5) 0.027(2)
 C5 0.9344(5) 0.1873(2) 0.9390(5) 0.026(2)
 C6 0.9342(5) 0.2172(2) 1.1105(5) 0.029(2)
 N7 0.9378(5) 0.1184(1) 0.8742(4) 0.030(2)
 C8 0.9315(6) 0.1291(2) 0.6959(5) 0.035(3)
 N9 0.9261(5) 0.1970(2) 0.6380(4) 0.034(2)
 C10 0.7542(7) -0.0353(2) 0.7583(6) 0.041(3)
 N11 0.9320(6) 0.1797(2) 1.2576(5) 0.039(2)
 C12 0.9176(8) 0.3534(2) 0.6560(6) 0.044(3)
 H2 0.943(7) 0.375(3) 1.001(5) 0.045(12)
 H8 0.937(6) 0.092(2) 0.628(5) 0.032(10)
 H10a 0.718(8) -0.078(3) 0.743(7) 0.069(16)
 H10b 0.795(9) -0.034(4) 0.652(9) 0.090(19)
 H10c 0.645(12) -0.011(3) 0.765(11) 0.076(23)
 HN11a 0.915(8) 0.134(3) 1.259(7) 0.068(16)
 HN11b 0.900(7) 0.201(3) 1.354(6) 0.052(13)
 H12a 0.887(10) 0.403(3) 0.684(8) 0.097(20)
 H12b 1.006(8) 0.347(3) 0.612(7) 0.054(14)
 H12c 0.798(13) 0.337(4) 0.546(11) 0.138(29)
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
 Sn . Cl . 2.596(1)
 Sn . Cl 3_757 2.596(1)
 Sn . N7 . 2.384(3)
 Sn . N7 3_757 2.384(3)
 Sn . C10 . 2.121(4)
 Sn . C10 3_757 2.121(4)
 N1 . C2 . 1.308(5)
 N1 . C6 . 1.372(4)
 C2 . H2 . 0.86(5)
 C2 . N3 . 1.346(5)
 N3 . C4 . 1.367(4)
 N3 . C12 . 1.472(5)
 C4 . N9 . 1.344(4)
 C4 . C5 . 1.383(5)
 C5 . N7 . 1.383(4)
 C5 . C6 . 1.413(5)
 C6 . N11 . 1.321(5)
 N7 . C8 . 1.345(4)
 C8 . H8 . 0.87(4)
 C8 . N9 . 1.338(5)
 C10 . H10a . 0.84(6)
 C10 . H10c . 0.95(8)
 C10 . H10b . 0.97(6)
 N11 . HN11a . 0.87(6)
 N11 . HN11b . 0.94(5)
 C12 . H12b . 0.85(5)
 C12 . H12c . 1.00(8)
 C12 . H12a . 1.00(7)
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
 Sn 0.0286(3) -0.0018(1) 0.0196(2) 0.0160(3) -0.0016(1) 0.0324(3)
 Cl 0.0440(7) -0.0014(5) 0.0396(6) 0.0272(5) -0.0016(5) 0.0604(7)
 N1 0.034(2) 0.000(1) 0.021(2) 0.020(1) -0.003(1) 0.041(2)
 C2 0.035(2) 0.001(2) 0.019(2) 0.016(2) -0.003(1) 0.045(2)
 N3 0.031(2) 0.001(1) 0.021(1) 0.015(1) 0.004(1) 0.042(2)
 C4 0.027(2) 0.003(1) 0.018(2) 0.016(2) 0.001(1) 0.035(2)
 C5 0.026(2) 0.000(1) 0.014(1) 0.018(2) 0.001(1) 0.032(2)
 C6 0.029(2) 0.002(1) 0.018(2) 0.022(2) -0.001(1) 0.034(2)
 N7 0.030(2) 0.002(1) 0.022(1) 0.017(1) 0.000(1) 0.031(1)
 C8 0.035(3) 0.000(2) 0.025(2) 0.021(2) -0.002(1) 0.033(2)
 N9 0.034(2) 0.003(1) 0.024(1) 0.023(2) 0.001(1) 0.034(2)
 C10 0.041(3) -0.011(2) 0.018(2) 0.025(2) -0.005(2) 0.043(2)
 N11 0.039(2) 0.002(2) 0.031(2) 0.027(2) -0.001(1) 0.034(2)
 C12 0.044(3) 0.004(2) 0.030(2) 0.026(2) 0.014(2) 0.049(2)