#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/07/2000758.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000758
loop_
_publ_author_name
'Whitby, R. J.'
'Webster, M.'
'Dennehy, R. D.'
_publ_section_title
;Structure of
 6-(tert-butylimino)-4,4,5,5-tetracyano-3-(1-phenylethylidene)-1-(trimethylsilyl)cyclohex-1-ene
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1252
_journal_page_last               1253
_journal_paper_doi               10.1107/S0108270191014464
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C25 H27 N5 Si'
_chemical_formula_weight         425.61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.454(3)
_cell_length_b                   17.353(3)
_cell_length_c                   17.6740(10)
_cell_volume                     5046.4(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.083
_exptl_crystal_density_diffrn    1.120
_exptl_crystal_density_meas      1.11(2)
_exptl_crystal_F_000             1808
_cod_data_source_file            ha0095.cif
_cod_data_source_block           ha0095a
_cod_original_cell_volume        5046.4
_cod_original_formula_sum        'C25 H27 N5 Si1'
_cod_database_code               2000758
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Si(1) .71723(8) .12391(6) .28210(6) .0502(7)
N(1) .6589(3) .4335(2) .0675(2) .082(3)
N(2) .4283(3) .3362(3) .1261(2) .81(3)
N(3) .6074(2) .2481(2) -.0333(2) .66(3)
N(4) .5181(2) .1334(2) .1578(2) .75(3)
N(5) .7565(2) .2452(2) .1008(2) .49(2)
C(1) .6077(2) .3363(2) .2305(2) .38(2)
C(2) .5852(2) .3263(2) .1462(2) .39(2)
C(3) .6138(2) .2449(2) .1146(2) .38(2)
C(4) .7008(2) .2328(2) .1477(2) .39(2)
C(5) .6923(2) .2173(2) .2302(2) .39(2)
C(6) .6471(2) .2702(2) .2668(2) .40(2)
C(7) .5897(2) .4019(2) .2690(2) .041(2)
C(8) .5397(3) .4671(2) .2364(2) .63(3)
C(9) .6234(2) .4156(2) .3454(2) .43(2)
C(10) .7043(2) .4023(2) .3622(2) .49(3)
C(11) .7355(3) .4197(3) .4324(2) .61(3)
C(12) .6867(3) .4488(3) .4873(2) .67(3)
C(13) .6060(3) .4620(3) .4726(2) .74(4)
C(14) .5744(3) .4464(2) .4021(2) .58(3)
C(15) .6271(3) .3865(2) .1000(2) .50(3)
C(16) .4969(3) .3336(2) .1343(2) .049(3)
C(17) .6127(2) .2463(2) .0306(2) .046(3)
C(18) .5589(2) .1829(2) .1397(2) .046(3)
C(19) .8442(3) .2526(3) .1171(2) .062(3)
C(20) .8774(4) .3022(6) .0578(5) .200(9)
C(21) .8837(5) .1790(5) .1061(7) .238(11)
C(22) .8648(4) .2789(8) .1905(4) .256(11)
C(23) .7323(4) .0466(3) .2102(2) .087(4)
C(24) .8027(3) .1379(4) .3482(3) .098(5)
C(25) .6257(3) .0977(3) .3383(2) .073(4)
H(6) .6403 .2642 .3198 .063(5)
H(8A) .5314 .4618 .1835 .165(6)
H(8B) .5751 .5093 .2456 .165(6)
H(8C) .4891 .4761 .2606 .165(6)
H(10) .7388 .3808 .3247 .063(5)
H(11) .7915 .4112 .4425 .063(5)
H(12) .7084 .4602 .5358 .063(5)
H(13) .5717 .4818 .5112 .063(5)
H(14) .5188 .4567 .3920 .063(5)
H(20A) .8519 .3484 .0741 .165(6)
H(20B) .8573 .2884 .0092 .165(6)
H(20C) .9344 .3100 .0550 .165(6)
H(21A) .8611 .1413 .1390 .165(6)
H(21B) .9410 .1798 .1119 .165(6)
H(21C) .8704 .1666 .0552 .165(6)
H(22A) .8374 .3271 .1904 .165(6)
H(22B) .9218 .2873 .1890 .165(6)
H(22C) .8513 .2514 .2353 .165(6)
H(23A) .7821 .0568 .1850 .165(6)
H(23B) .6895 .0445 .1742 .165(6)
H(23C) .7360 -.0013 .2359 .165(6)
H(24A) .8543 .1472 .3259 .165(6)
H(24B) .8048 .0918 .3771 .165(6)
H(24C) .7888 .1798 .3804 .165(6)
H(25A) .6194 .1373 .3749 .165(6)
H(25B) .6371 .0503 .3630 .165(6)
H(25C) .5770 .0929 .3098 .165(6)
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
C(2) C(15) N(1) 177.4(4)
C(2) C(16) N(2) 177.2(5)
C(3) C(4) N(5) 113.5(3)
C(5) C(4) N(5) 138.3(3)
C(3) C(17) N(3) 176.3(4)
C(3) C(18) N(4) 177.7(4)
C(4) N(5) C(19) 126.9(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
C(1) C(2) 1.544(4)
C(2) C(3) 1.591(5)
C(3) C(4) 1.561(5)
C(4) C(5) 1.489(4)
C(5) C(6) 1.345(5)
C(6) C(1) 1.466(5)
C(1) C(7) 1.359(4)
C(7) C(8) 1.513(5)
C(7) C(9) 1.480(4)
C(9) C(10) 1.383(5)
C(10) C(11) 1.376(5)
C(11) C(12) 1.358(5)
C(12) C(13) 1.372(6)
C(13) C(14) 1.377(5)
C(14) C(9) 1.391(5)
C(2) C(15) 1.495(5)
C(2) C(16) 1.473(5)
C(3) C(17) 1.484(5)
C(3) C(18) 1.475(5)
C(4) N(5) 1.255(4)
N(5) C(19) 1.476(5)
C(19) C(20) 1.463(6)
C(19) C(21) 1.446(8)
C(19) C(22) 1.416(6)
C(15) N(1) 1.126(5)
C(16) N(2) 1.139(5)
C(17) N(3) 1.134(4)
C(18) N(4) 1.135(5)
C(5) Si(1) 1.907(3)
Si(1) C(23) 1.864(4)
Si(1) C(24) 1.845(4)
Si(1) C(25) 1.860(4)
