#------------------------------------------------------------------------------
#$Date: 2022-09-15 01:26:15 +0300 (Thu, 15 Sep 2022) $
#$Revision: 277847 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/31/4063156.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_4063156
loop_
_publ_author_name
'Meetsma, Auke'
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_moiety         'C22 H55 N4 Si2 Y'
_chemical_formula_sum            'C22 H55 N4 Si2 Y'
_chemical_formula_weight         520.79
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                99.185(1)
_cell_angle_beta                 98.943(1)
_cell_angle_gamma                111.086(1)
_cell_formula_units_Z            2
_cell_length_a                   9.5799(4)
_cell_length_b                   9.8987(5)
_cell_length_c                   17.4468(8)
_cell_measurement_temperature    90
_cell_volume                     1482.62(12)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.167
_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               4063156
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Y1 Y Uani 0.02229(2) 0.18448(2) 0.24513(1) 1.000 0.0142(1)
Si1 Si Uani 0.29086(6) 0.20740(5) 0.45428(3) 1.000 0.0182(2)
Si2 Si Uani 0.33577(6) 0.46544(5) 0.16585(3) 1.000 0.0181(2)
N1 N Uani -0.02597(17) -0.05762(15) 0.22290(8) 1.000 0.0159(4)
N2 N Uani -0.23447(16) 0.05542(15) 0.27746(8) 1.000 0.0159(4)
N3 N Uani -0.23865(17) 0.11632(16) 0.11750(8) 1.000 0.0181(4)
N4 N Uani -0.05065(17) 0.37560(15) 0.33123(8) 1.000 0.0173(4)
C1 C Uani 0.1495(3) -0.0347(2) 0.13647(13) 1.000 0.0270(7)
C2 C Uani -0.0580(3) -0.2837(2) 0.12074(13) 1.000 0.0283(7)
C3 C Uani 0.1637(3) -0.1766(2) 0.23897(12) 1.000 0.0246(6)
C4 C Uani 0.0528(2) -0.13908(19) 0.18111(10) 1.000 0.0203(6)
C5 C Uani -0.1286(2) -0.1442(2) 0.26622(11) 1.000 0.0186(5)
C6 C Uani -0.1841(2) -0.0458(2) 0.31947(11) 1.000 0.0182(5)
C7 C Uani -0.3647(2) -0.0312(2) 0.20806(11) 1.000 0.0198(6)
C8 C Uani -0.3787(2) 0.0599(2) 0.14807(11) 1.000 0.0198(6)
C9 C Uani -0.2322(3) -0.0062(2) 0.05952(11) 1.000 0.0241(6)
C10 C Uani -0.2479(3) 0.2296(2) 0.07371(12) 1.000 0.0235(6)
C11 C Uani -0.2780(2) 0.1533(2) 0.33384(11) 1.000 0.0191(6)
C12 C Uani -0.1401(2) 0.2911(2) 0.38223(11) 1.000 0.0195(6)
C13 C Uani -0.1414(3) 0.4393(2) 0.28404(12) 1.000 0.0226(6)
C14 C Uani 0.0873(3) 0.5015(2) 0.38247(12) 1.000 0.0242(6)
C15 C Uani 0.2446(2) 0.2484(2) 0.35659(11) 1.000 0.0197(6)
C16 C Uani 0.2024(3) 0.0040(2) 0.45301(13) 1.000 0.0298(7)
C17 C Uani 0.5024(3) 0.2659(3) 0.49607(13) 1.000 0.0317(7)
C18 C Uani 0.2265(3) 0.3076(3) 0.53372(12) 1.000 0.0255(7)
C19 C Uani 0.1357(2) 0.3445(2) 0.15851(11) 1.000 0.0188(6)
C20 C Uani 0.4563(3) 0.3544(3) 0.15503(17) 1.000 0.0364(8)
C21 C Uani 0.3633(3) 0.5785(3) 0.08795(13) 1.000 0.0304(7)
C22 C Uani 0.4278(3) 0.6004(2) 0.26548(12) 1.000 0.0244(6)
H1 H Uiso 0.089(2) -0.010(2) 0.0985(12) 1.000 0.033(6)
H1' H Uiso 0.224(2) 0.050(2) 0.1732(12) 1.000 0.033(6)
H1" H Uiso 0.208(2) -0.078(2) 0.1098(12) 1.000 0.034(6)
H2 H Uiso -0.121(2) -0.263(2) 0.0806(12) 1.000 0.035(6)
H2' H Uiso -0.124(2) -0.356(2) 0.1452(11) 1.000 0.025(5)
H2" H Uiso 0.000(2) -0.332(2) 0.0942(12) 1.000 0.031(6)
H3 H Uiso 0.244(2) -0.087(2) 0.2739(12) 1.000 0.032(6)
H3' H Uiso 0.112(2) -0.239(2) 0.2712(12) 1.000 0.034(6)
H3" H Uiso 0.215(2) -0.225(2) 0.2109(12) 1.000 0.033(6)
H5 H Uiso -0.218(2) -0.2273(19) 0.2300(10) 1.000 0.014(4)
H5' H Uiso -0.081(2) -0.1882(19) 0.3028(10) 1.000 0.015(5)
H6 H Uiso -0.272(2) -0.1070(18) 0.3377(9) 1.000 0.009(4)
H6' H Uiso -0.102(2) 0.0201(19) 0.3663(10) 1.000 0.015(4)
H7 H Uiso -0.3481(19) -0.1138(19) 0.1834(10) 1.000 0.010(4)
H7' H Uiso -0.460(2) -0.0667(19) 0.2273(10) 1.000 0.015(5)
H8 H Uiso -0.3974(19) 0.1440(19) 0.1712(10) 1.000 0.015(5)
H8' H Uiso -0.469(2) 0.0016(19) 0.1051(10) 1.000 0.015(5)
H9 H Uiso -0.227(2) -0.081(2) 0.0843(11) 1.000 0.025(5)
H9' H Uiso -0.135(2) 0.0331(19) 0.0398(10) 1.000 0.017(5)
H9" H Uiso -0.323(2) -0.053(2) 0.0147(11) 1.000 0.026(5)
H10 H Uiso -0.339(2) 0.193(2) 0.0314(12) 1.000 0.027(5)
H10' H Uiso -0.165(2) 0.267(2) 0.0521(11) 1.000 0.026(6)
H10" H Uiso -0.244(2) 0.313(2) 0.1089(12) 1.000 0.028(5)
H11 H Uiso -0.357(2) 0.1773(19) 0.3047(10) 1.000 0.016(5)
H11' H Uiso -0.331(2) 0.099(2) 0.3686(11) 1.000 0.021(5)
H12 H Uiso -0.071(2) 0.2663(19) 0.4167(10) 1.000 0.016(5)
H12' H Uiso -0.172(2) 0.355(2) 0.4168(11) 1.000 0.024(5)
H13 H Uiso -0.082(2) 0.4913(19) 0.2547(10) 1.000 0.017(5)
H13' H Uiso -0.231(2) 0.365(2) 0.2481(11) 1.000 0.023(5)
H13" H Uiso -0.176(2) 0.504(2) 0.3187(11) 1.000 0.026(5)
H14 H Uiso 0.145(2) 0.465(2) 0.4159(12) 1.000 0.028(6)
H14' H Uiso 0.150(2) 0.554(2) 0.3501(11) 1.000 0.023(5)
H14" H Uiso 0.060(2) 0.572(2) 0.4156(11) 1.000 0.026(5)
H15 H Uiso 0.300(2) 0.354(2) 0.3622(12) 1.000 0.037(6)
H15' H Uiso 0.287(2) 0.199(2) 0.3229(12) 1.000 0.040(6)
H16 H Uiso 0.227(3) -0.013(2) 0.5016(14) 1.000 0.045(7)
H16' H Uiso 0.237(3) -0.052(3) 0.4183(14) 1.000 0.050(7)
H16" H Uiso 0.098(3) -0.034(3) 0.4384(15) 1.000 0.062(9)
H17 H Uiso 0.526(2) 0.238(2) 0.5438(13) 1.000 0.040(6)
H17' H Uiso 0.560(3) 0.367(3) 0.5026(15) 1.000 0.065(9)
H17" H Uiso 0.542(3) 0.224(3) 0.4621(16) 1.000 0.069(9)
H18 H Uiso 0.264(2) 0.295(2) 0.5851(12) 1.000 0.032(6)
H18' H Uiso 0.115(3) 0.266(2) 0.5242(12) 1.000 0.040(6)
H18" H Uiso 0.261(2) 0.406(2) 0.5333(12) 1.000 0.041(7)
H19 H Uiso 0.099(2) 0.284(2) 0.1063(11) 1.000 0.024(5)
H19' H Uiso 0.079(2) 0.403(2) 0.1567(12) 1.000 0.034(6)
H20 H Uiso 0.417(3) 0.284(3) 0.1083(14) 1.000 0.047(7)
H20' H Uiso 0.551(3) 0.415(3) 0.1566(14) 1.000 0.056(8)
H20" H Uiso 0.464(2) 0.304(2) 0.2023(14) 1.000 0.044(7)
H21 H Uiso 0.465(3) 0.633(2) 0.0896(12) 1.000 0.035(6)
H21' H Uiso 0.322(2) 0.520(2) 0.0393(13) 1.000 0.033(6)
H21" H Uiso 0.309(2) 0.643(2) 0.0932(12) 1.000 0.037(6)
H22 H Uiso 0.532(3) 0.662(2) 0.2674(12) 1.000 0.036(6)
H22' H Uiso 0.426(2) 0.552(2) 0.3066(12) 1.000 0.033(6)
H22" H Uiso 0.375(2) 0.666(2) 0.2788(12) 1.000 0.041(6)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Y1 N1 2.2266(15) . . yes
Y1 N2 2.5300(16) . . yes
Y1 N4 2.5873(15) . . yes
Y1 C15 2.463(2) . . yes
Y1 C19 2.4515(19) . . yes
Si1 C15 1.8389(19) . . yes
Si1 C16 1.877(2) . . yes
Si1 C17 1.880(3) . . yes
Si1 C18 1.885(3) . . yes
Si2 C19 1.829(2) . . yes
Si2 C20 1.869(3) . . yes
Si2 C21 1.885(3) . . yes
Si2 C22 1.876(2) . . yes
N1 C4 1.474(3) . . yes
N1 C5 1.450(2) . . yes
N2 C6 1.499(2) . . yes
N2 C7 1.479(2) . . yes
N2 C11 1.481(2) . . yes
N3 C8 1.475(3) . . yes
N3 C9 1.476(3) . . yes
N3 C10 1.474(3) . . yes
N4 C12 1.478(2) . . yes
N4 C13 1.473(3) . . yes
N4 C14 1.480(3) . . yes
C1 C4 1.525(3) . . no
C2 C4 1.537(3) . . no
C3 C4 1.535(3) . . no
C5 C6 1.527(3) . . no
C7 C8 1.507(3) . . no
C11 C12 1.519(3) . . no
C1 H1 0.93(2) . . no
C1 H1' 0.94(2) . . no
C1 H1" 0.95(2) . . no
C2 H2 0.95(2) . . no
C2 H2' 0.975(19) . . no
C2 H2" 0.98(2) . . no
C3 H3 0.97(2) . . no
C3 H3' 0.96(2) . . no
C3 H3" 0.94(2) . . no
C5 H5 0.984(18) . . no
C5 H5' 0.973(18) . . no
C6 H6 0.977(19) . . no
C6 H6' 0.986(18) . . no
C7 H7 0.939(18) . . no
C7 H7' 0.99(2) . . no
C8 H8 0.954(18) . . no
C8 H8' 0.972(18) . . no
C9 H9 0.927(19) . . no
C9 H9' 1.01(2) . . no
C9 H9" 0.983(19) . . no
C10 H10 0.96(2) . . no
C10 H10' 0.91(2) . . no
C10 H10" 0.93(2) . . no
C11 H11 0.967(19) . . no
C11 H11' 0.958(19) . . no
C12 H12 0.949(19) . . no
C12 H12' 0.97(2) . . no
C13 H13 0.903(18) . . no
C13 H13' 0.950(19) . . no
C13 H13" 0.99(2) . . no
C14 H14 0.94(2) . . no
C14 H14' 0.961(19) . . no
C14 H14" 0.97(2) . . no
C15 H15 0.967(19) . . no
C15 H15' 0.94(2) . . no
C16 H16 0.90(2) . . no
C16 H16' 0.93(3) . . no
C16 H16" 0.91(3) . . no
C17 H17 0.94(2) . . no
C17 H17' 0.93(3) . . no
C17 H17" 0.88(3) . . no
C18 H18 0.96(2) . . no
C18 H18' 0.97(3) . . no
C18 H18" 0.911(19) . . no
C19 H19 0.942(19) . . no
C19 H19' 0.93(2) . . no
C20 H20 0.91(2) . . no
C20 H20' 0.88(3) . . no
C20 H20" 1.04(2) . . no
C21 H21 0.92(3) . . no
C21 H21' 0.89(2) . . no
C21 H21" 0.96(2) . . no
C22 H22 0.96(3) . . no
C22 H22' 0.92(2) . . no
C22 H22" 0.98(2) . . no
