#------------------------------------------------------------------------------
#$Date: 2019-09-11 15:05:43 +0300 (Wed, 11 Sep 2019) $
#$Revision: 218188 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/24/4062438.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_4062438
loop_
_publ_author_name
'Eichler, Barrett E.'
'Phillips, Andrew D.'
'Power, Philip P.'
_publ_section_title
;
 Reactions of Phenyllithium with the Stannylene Ar*SnPh (Ar* = C6H3-2,6-Trip2;
 Trip = C6H2-2,4,6-Pri3) and the Synthesis of the Distannylstannylene
 Sn(SnPh2Ar*)2: Contrasting Behavior in Methyl and Phenyl Derivatives
;
_journal_coden_ASTM              ORGND7
_journal_issue                   26
_journal_name_full               Organometallics
_journal_page_first              5423
_journal_page_last               5426
_journal_paper_doi               10.1021/om034092n
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C108 H130 Li2 Sn2'
_chemical_formula_weight         1679.38
_chemical_name_common            (Bert*SnPh2Li)2.2benzene
_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'
_cell_angle_alpha                90.00
_cell_angle_beta                 98.9130(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.7537(5)
_cell_length_b                   19.0983(7)
_cell_length_c                   18.8735(6)
_cell_measurement_temperature    90(2)
_cell_volume                     4541.6(3)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.228
_cod_depositor_comments
;
 Updated bibliographical information.

 Antanas Vaitkus,
 2019-09-11
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062438
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
Sn1 Sn 0.98914(2) 0.938212(14) 0.096644(14) 0.01801(7) Uani 1 1 d . . .
Li1 Li 0.8788(5) 1.1187(4) -0.0053(4) 0.0301(17) Uani 1 1 d . . .
C1 C 0.9427(3) 0.85922(19) 0.17353(17) 0.0158(8) Uani 1 1 d . . .
C2 C 1.0023(3) 0.79767(19) 0.17571(17) 0.0169(8) Uani 1 1 d . . .
C3 C 1.0015(3) 0.7485(2) 0.23066(19) 0.0161(8) Uani 1 1 d . . .
H3A H 1.042(3) 0.7061(18) 0.2299(16) 0.019 Uiso 1 1 d . . .
C4 C 0.9395(3) 0.7595(2) 0.28328(19) 0.0174(9) Uani 1 1 d . . .
H4A H 0.937(3) 0.7285(18) 0.3213(17) 0.021 Uiso 1 1 d . . .
C5 C 0.8749(3) 0.8177(2) 0.27919(18) 0.0171(8) Uani 1 1 d . . .
H5A H 0.832(3) 0.8213(18) 0.3108(17) 0.021 Uiso 1 1 d . . .
C6 C 0.8742(3) 0.86737(19) 0.22500(17) 0.0155(8) Uani 1 1 d . . .
C7 C 0.7924(3) 0.92482(19) 0.22202(17) 0.0166(8) Uani 1 1 d . . .
C8 C 0.8056(3) 0.98170(19) 0.27003(17) 0.0151(8) Uani 1 1 d . . .
C9 C 0.7265(3) 1.0318(2) 0.26627(19) 0.0208(9) Uani 1 1 d . . .
H9A H 0.738(3) 1.0710(19) 0.2979(17) 0.025 Uiso 1 1 d . . .
C10 C 0.6342(3) 1.0287(2) 0.21651(19) 0.0214(9) Uani 1 1 d . . .
C11 C 0.6213(3) 0.9709(2) 0.1713(2) 0.0220(9) Uani 1 1 d . . .
H11A H 0.564(3) 0.9676(18) 0.1368(18) 0.026 Uiso 1 1 d . . .
C12 C 0.6979(3) 0.91912(19) 0.17276(18) 0.0207(9) Uani 1 1 d . . .
C13 C 1.0637(3) 0.77614(19) 0.11647(17) 0.0168(8) Uani 1 1 d . . .
C14 C 1.1746(3) 0.77697(18) 0.12681(17) 0.0159(8) Uani 1 1 d . . .
C15 C 1.2276(3) 0.7490(2) 0.07454(19) 0.0192(9) Uani 1 1 d . . .
H15A H 1.305(3) 0.7495(18) 0.0816(17) 0.023 Uiso 1 1 d . . .
C16 C 1.1746(3) 0.71909(19) 0.01214(18) 0.0171(8) Uani 1 1 d . . .
C17 C 1.0650(3) 0.7205(2) 0.00143(19) 0.0182(9) Uani 1 1 d . . .
H17A H 1.029(3) 0.7027(18) -0.0389(17) 0.022 Uiso 1 1 d . . .
C18 C 1.0074(3) 0.74895(19) 0.05217(18) 0.0176(9) Uani 1 1 d . . .
C19 C 0.8873(3) 0.7470(2) 0.03881(19) 0.0192(9) Uani 1 1 d . . .
H19A H 0.862(3) 0.7810(19) 0.0631(18) 0.023 Uiso 1 1 d . . .
C20 C 0.8451(4) 0.6776(3) 0.0611(3) 0.0376(12) Uani 1 1 d . . .
H20A H 0.864(3) 0.666(2) 0.113(2) 0.056 Uiso 1 1 d . . .
H20B H 0.869(3) 0.641(2) 0.034(2) 0.056 Uiso 1 1 d . . .
H20C H 0.769(4) 0.681(2) 0.052(2) 0.056 Uiso 1 1 d . . .
C21 C 0.8386(4) 0.7641(2) -0.0382(2) 0.0286(11) Uani 1 1 d . . .
H21A H 0.760(3) 0.771(2) -0.0388(19) 0.043 Uiso 1 1 d . . .
H21B H 0.852(3) 0.729(2) -0.073(2) 0.043 Uiso 1 1 d . . .
H21C H 0.860(3) 0.805(2) -0.055(2) 0.043 Uiso 1 1 d . . .
C22 C 1.2373(3) 0.6802(2) -0.03774(19) 0.0209(9) Uani 1 1 d . . .
H22A H 1.295(3) 0.7072(19) -0.0372(17) 0.025 Uiso 1 1 d . . .
C23 C 1.2748(4) 0.6101(2) -0.0053(2) 0.0307(11) Uani 1 1 d . . .
H23A H 1.310(3) 0.614(2) 0.041(2) 0.046 Uiso 1 1 d . . .
H23B H 1.326(3) 0.581(2) -0.0405(19) 0.046 Uiso 1 1 d . . .
H23C H 1.217(3) 0.581(2) 0.000(2) 0.046 Uiso 1 1 d . . .
C24 C 1.1790(4) 0.6692(2) -0.1142(2) 0.0273(10) Uani 1 1 d . . .
H24A H 1.151(3) 0.713(2) -0.1355(19) 0.041 Uiso 1 1 d . . .
H24B H 1.119(3) 0.639(2) -0.1136(19) 0.041 Uiso 1 1 d . . .
H24C H 1.230(3) 0.645(2) -0.1416(19) 0.041 Uiso 1 1 d . . .
C25 C 1.2386(3) 0.8070(2) 0.19540(18) 0.0190(9) Uani 1 1 d . . .
H25A H 1.187(3) 0.8274(18) 0.2272(17) 0.023 Uiso 1 1 d . . .
C26 C 1.3144(3) 0.8652(2) 0.1807(2) 0.0251(10) Uani 1 1 d . . .
H26A H 1.277(3) 0.905(2) 0.1597(19) 0.038 Uiso 1 1 d . . .
H26B H 1.367(3) 0.844(2) 0.1530(19) 0.038 Uiso 1 1 d . . .
H26C H 1.356(3) 0.882(2) 0.224(2) 0.038 Uiso 1 1 d . . .
C27 C 1.3006(4) 0.7480(2) 0.2384(2) 0.0267(10) Uani 1 1 d . . .
H27A H 1.335(3) 0.766(2) 0.280(2) 0.040 Uiso 1 1 d . . .
H27B H 1.363(3) 0.728(2) 0.2118(19) 0.040 Uiso 1 1 d . . .
H27C H 1.254(3) 0.715(2) 0.2488(19) 0.040 Uiso 1 1 d . . .
C28 C 0.9026(3) 0.9876(2) 0.32805(19) 0.0208(9) Uani 1 1 d . . .
H28A H 0.956(3) 0.9566(18) 0.3145(16) 0.025 Uiso 1 1 d . . .
C29 C 0.8775(4) 0.9631(2) 0.4006(2) 0.0299(11) Uani 1 1 d . . .
H29A H 0.942(3) 0.962(2) 0.438(2) 0.045 Uiso 1 1 d . . .
H29B H 0.846(3) 0.917(2) 0.404(2) 0.045 Uiso 1 1 d . . .
H29C H 0.825(3) 0.995(2) 0.422(2) 0.045 Uiso 1 1 d . . .
C30 C 0.9495(3) 1.0604(3) 0.3361(2) 0.0259(9) Uani 1 1 d . . .
H30A H 0.973(3) 1.075(2) 0.296(2) 0.039 Uiso 1 1 d . . .
H30B H 1.013(3) 1.065(2) 0.3690(18) 0.039 Uiso 1 1 d . . .
H30C H 0.905(3) 1.091(2) 0.355(2) 0.039 Uiso 1 1 d . . .
C31 C 0.5531(3) 1.0874(2) 0.2124(2) 0.0278(10) Uani 1 1 d . . .
H31A H 0.588(3) 1.134(2) 0.2011(18) 0.033 Uiso 1 1 d . . .
C32 C 0.5131(4) 1.0972(3) 0.2841(3) 0.0338(11) Uani 1 1 d . . .
H32A H 0.570(4) 1.106(2) 0.321(2) 0.051 Uiso 1 1 d . . .
H32B H 0.480(3) 1.058(2) 0.295(2) 0.051 Uiso 1 1 d . . .
H32C H 0.461(3) 1.138(2) 0.282(2) 0.051 Uiso 1 1 d . . .
C33 C 0.4602(4) 1.0802(2) 0.1519(2) 0.0353(12) Uani 1 1 d . . .
H33A H 0.489(3) 1.079(2) 0.105(2) 0.053 Uiso 1 1 d . . .
H33B H 0.418(3) 1.125(2) 0.152(2) 0.053 Uiso 1 1 d . . .
H33C H 0.415(3) 1.034(2) 0.160(2) 0.053 Uiso 1 1 d . . .
C34 C 0.6774(3) 0.8552(2) 0.1242(2) 0.0257(10) Uani 1 1 d . . .
H34A H 0.743(3) 0.8443(19) 0.1087(18) 0.031 Uiso 1 1 d . . .
C35 C 0.6365(4) 0.7935(3) 0.1642(3) 0.0441(14) Uani 1 1 d . . .
H35A H 0.684(4) 0.776(2) 0.200(2) 0.066 Uiso 1 1 d . . .
H35B H 0.631(4) 0.756(3) 0.132(2) 0.066 Uiso 1 1 d . . .
H35C H 0.567(4) 0.799(3) 0.175(2) 0.066 Uiso 1 1 d . . .
C36 C 0.5993(4) 0.8689(3) 0.0554(2) 0.0310(11) Uani 1 1 d . . .
H36A H 0.617(3) 0.908(2) 0.031(2) 0.047 Uiso 1 1 d . . .
H36B H 0.523(3) 0.879(2) 0.060(2) 0.047 Uiso 1 1 d . . .
H36C H 0.598(3) 0.826(2) 0.028(2) 0.047 Uiso 1 1 d . . .
C37 C 1.0926(3) 0.9990(2) 0.17922(19) 0.0191(9) Uani 1 1 d . . .
C38 C 1.1295(3) 0.9735(2) 0.2476(2) 0.0227(9) Uani 1 1 d . . .
H38A H 1.106(3) 0.933(2) 0.2606(18) 0.027 Uiso 1 1 d . . .
C39 C 1.1984(3) 1.0106(2) 0.2970(2) 0.0281(10) Uani 1 1 d . . .
H39A H 1.223(3) 0.999(2) 0.3414(19) 0.034 Uiso 1 1 d . . .
C40 C 1.2334(3) 1.0763(2) 0.2796(2) 0.0307(11) Uani 1 1 d . . .
H40A H 1.278(3) 1.103(2) 0.311(2) 0.037 Uiso 1 1 d . . .
C41 C 1.1994(3) 1.1030(2) 0.2117(3) 0.0322(11) Uani 1 1 d . . .
H41A H 1.228(3) 1.145(2) 0.196(2) 0.039 Uiso 1 1 d . . .
C42 C 1.1304(3) 1.0645(3) 0.1630(2) 0.0269(9) Uani 1 1 d . . .
H42A H 1.115(3) 1.083(2) 0.1224(19) 0.032 Uiso 1 1 d . . .
C43 C 0.8585(3) 1.0149(2) 0.07741(19) 0.0190(9) Uani 1 1 d . . .
C44 C 0.8530(3) 1.0761(2) 0.11623(19) 0.0214(9) Uani 1 1 d . . .
H44A H 0.906(3) 1.0852(18) 0.1529(18) 0.026 Uiso 1 1 d . . .
C45 C 0.7750(3) 1.1271(2) 0.0979(2) 0.0236(9) Uani 1 1 d . . .
H45A H 0.776(3) 1.1682(19) 0.1268(18) 0.028 Uiso 1 1 d . . .
C46 C 0.6979(3) 1.1170(2) 0.0387(2) 0.0249(10) Uani 1 1 d . . .
H46A H 0.642(3) 1.1539(19) 0.0196(18) 0.030 Uiso 1 1 d . . .
C47 C 0.7002(3) 1.0562(2) -0.00198(19) 0.0247(9) Uani 1 1 d . . .
H47A H 0.647(3) 1.0471(19) -0.0450(17) 0.030 Uiso 1 1 d . . .
C48 C 0.7793(3) 1.0070(2) 0.0170(2) 0.0219(9) Uani 1 1 d . . .
H48A H 0.780(3) 0.9644(18) -0.0115(17) 0.026 Uiso 1 1 d . . .
C49 C 1.5582(4) 0.6807(3) -0.1416(3) 0.0486(14) Uani 1 1 d . . .
H49A H 1.553(4) 0.709(2) -0.181(2) 0.058 Uiso 1 1 d . . .
C50 C 1.5303(4) 0.7091(3) -0.0803(3) 0.0495(15) Uani 1 1 d . . .
H50A H 1.515(4) 0.754(2) -0.076(2) 0.059 Uiso 1 1 d . . .
C51 C 1.5327(4) 0.6687(3) -0.0201(3) 0.0519(16) Uani 1 1 d . . .
H51A H 1.507(4) 0.685(2) 0.018(2) 0.062 Uiso 1 1 d . . .
C52 C 1.5632(4) 0.5990(3) -0.0207(3) 0.0561(16) Uani 1 1 d . . .
H52A H 1.573(4) 0.575(3) 0.024(2) 0.067 Uiso 1 1 d . . .
C53 C 1.5906(4) 0.5713(3) -0.0829(4) 0.0601(17) Uani 1 1 d . . .
H53A H 1.601(4) 0.527(3) -0.081(3) 0.072 Uiso 1 1 d . . .
C54 C 1.5884(4) 0.6125(3) -0.1430(3) 0.0559(16) Uani 1 1 d . . .
H54A H 1.608(4) 0.592(2) -0.180(2) 0.067 Uiso 1 1 d . . .
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
Sn1 C37 2.210(4) . ?
Sn1 C43 2.206(4) . ?
Sn1 C1 2.236(3) . ?
Sn1 Li1 2.809(6) 3_775 ?
Li1 C44 2.504(7) . ?
Li1 C45 2.524(7) . ?
Li1 C43 2.561(8) . ?
Li1 C48 2.551(8) . ?
Li1 C46 2.571(8) . ?
Li1 C47 2.582(8) . ?
Li1 Sn1 2.809(6) 3_775 ?
C1 C2 1.397(5) . ?
C1 C6 1.412(5) . ?
C2 C3 1.401(5) . ?
C2 C13 1.518(5) . ?
C3 C4 1.378(5) . ?
C4 C5 1.380(5) . ?
C5 C6 1.394(5) . ?
C6 C7 1.509(5) . ?
C7 C8 1.408(5) . ?
C7 C12 1.407(5) . ?
C8 C9 1.383(5) . ?
C8 C28 1.524(5) . ?
C9 C10 1.389(5) . ?
C10 C11 1.389(5) . ?
C10 C31 1.519(5) . ?
C11 C12 1.387(5) . ?
C12 C34 1.524(5) . ?
C13 C14 1.397(5) . ?
C13 C18 1.410(5) . ?
C14 C15 1.387(5) . ?
C14 C25 1.531(5) . ?
C15 C16 1.387(5) . ?
C16 C17 1.381(5) . ?
C16 C22 1.521(5) . ?
C17 C18 1.404(5) . ?
C18 C19 1.514(5) . ?
C19 C20 1.514(6) . ?
C19 C21 1.524(5) . ?
C22 C24 1.532(5) . ?
C22 C23 1.518(6) . ?
C25 C26 1.527(5) . ?
C25 C27 1.535(5) . ?
C28 C30 1.512(6) . ?
C28 C29 1.527(5) . ?
C31 C33 1.520(6) . ?
C31 C32 1.529(6) . ?
C34 C35 1.534(6) . ?
C34 C36 1.532(6) . ?
C37 C38 1.392(5) . ?
C37 C42 1.391(6) . ?
C38 C39 1.374(5) . ?
C39 C40 1.388(6) . ?
C40 C41 1.386(6) . ?
C41 C42 1.381(6) . ?
C43 C44 1.386(5) . ?
C43 C48 1.409(5) . ?
C44 C45 1.397(5) . ?
C45 C46 1.383(5) . ?
C46 C47 1.396(6) . ?
C47 C48 1.385(5) . ?
C49 C54 1.359(7) . ?
C49 C50 1.374(6) . ?
C50 C51 1.369(7) . ?
C51 C52 1.388(8) . ?
C52 C53 1.382(7) . ?
C53 C54 1.376(8) . ?
