data_2010396
_journal_name_full  'Acta Crystallographica'
_journal_year  1995
_journal_volume  C51
_journal_page_first  8
_journal_page_last  10
_publ_section_title
;
Bis(1,2-ethylenedioxo-\kO)-2-hydroxyethyleneoxysilane.0.25CH~3~CN,
Na[Si(C~2~H~4~O~2~)~2~(C~2~H~5~O~2~)], 0.25C~2~H~3~N
;
loop_
_publ_author_name
  'Gainsford, G.J.'
  'Kemmitt, T.'
  'Milestone, N.B.'
_chemical_formula_moiety  'C6 H13 Na1 O6 Si1,0.25(C2 H3 N1)'
_chemical_formula_sum  'C6.5 H13.75 N0.25 Na1 O6 Si1'
_chemical_formula_weight  242.6
_symmetry_cell_setting  tetragonal
_symmetry_space_group_name_H-M  'P 4/n'
_symmetry_space_group_name_Hall  'P 4a'
loop_
_symmetry_equiv_pos_as_xyz
  X,Y,Z
  1/2+X,1/2+Y,-Z
  1/2+Y,-X,-Z
  -Y,1/2+X,-Z
  -X,-Y,-Z
  Y,1/2-X,Z
_cell_length_a  15.963(4)
_cell_length_b  15.963(4)
_cell_length_c  8.525(3)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  2172.0(10)
_cell_formula_units_Z  8
_cell_measurement_temperature  124
_exptl_crystal_density_diffrn  1.48
_refine_ls_R_factor_obs  0.028
_refine_ls_wR_factor_obs  0.033
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  Si(1) .83886(5) .01606(5) .12221(9)
  Na(1) 1.00598(6) -.10193(6) .084410(10)
  O(1) .89720(11) -.01969(12) -.0423(2)
  O(2) .74907(11) -.01829(11) .0362(2)
  O(3) .88689(12) .11043(11) .1000(2)
  O(4) .77727(12) .06052(11) .2721(2)
  O(5) .88880(12) -.05440(12) .2326(2)
  O(6) 1.03154(12) -.12351(13) .3638(3)
  N(1) .75 -.25 .5790(9)
  C(1) .84469(19) -.0386(2) -.1722(3)
  C(2) .76223(19) -.0678(2) -.1022(4)
  C(3) .8558(2) .1775(2) .1952(4)
  C(4) .8102(2) .1373(2) .3310(4)
  C(5) .8992(2) -.0527(2) .3995(3)
  C(6) .9534(2) -.1274(2) .4449(4)
  C(7) .75 -.25 .4434(11)
  C(8) .75 -.25 .2684(9)
  H(1A) .868(2)  -.082(2)  -.238(4)
  H(1B) .8325(18) .014(2)  -.243(3)
  H(2A) .7130(19) -.0570(18) -.182(3)
  H(2B) .7655(16) -.1280(19) -.074(3)
  H(3A) .908(2)  .212(2)  .232(4)
  H(3B) .816(2)  .211(2)  .132(4)
  H(4A) .7639(18) .1727(18) .373(3)
  H(4B) .849(2)  .125(2)  .416(4)
  H(5A) .9280(17) .0025(18) .430(3)
  H(5B) .844(2)  -.056(2)  .455(4)
  H(6A) .9213(18) -.1774(19) .414(3)
  H(6B) .9638(19) -.125(2)  .570(4)
  H(06) 1.044(2)  -.175(2)  .334(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Si(1) O(1) . . 1.777(2) yes
  Si(1) O(2) . . 1.701(2) yes
  Si(1) O(3) . . 1.701(2) yes
  Si(1) O(4) . . 1.762(2) yes
  Si(1) O(5) . . 1.669(2) yes
  Na(1) O(1) . . 2.430(2) yes
  Na(1) O(1) . 5_755 2.508(2) yes
  Na(1) O(2) . 6_655 2.416(2) yes
  Na(1) O(3) . 5_755 2.327(2) yes
  Na(1) O(5) . . 2.381(2) yes
  Na(1) O(6) . . 2.441(3) yes
  O(1) C(1) . . 1.422(3) yes
  O(2) C(2) . . 1.436(3) yes
  O(3) C(3) . . 1.432(4) yes
  O(4) C(4) . . 1.424(4) yes
  O(5) C(5) . . 1.433(3) yes
  O(6) C(6) . . 1.428(4) yes
  N(1) C(7) . . 1.156(12) yes
  C(1) C(2) . . 1.519(4) yes
  C(3) C(4) . . 1.511(5) yes
  C(5) C(6) . . 1.522(4) yes
  C(7) C(8) . . 1.492(12) yes