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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2001848.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_2001848
_journal_name_full 'Acta Crystallographica, Section C'
_journal_year 1993
_journal_volume C49
_journal_page_first 453
_journal_page_last 456
loop_
_publ_author_name
'Zhang, H.'
'Jia, L.'
'Hosmane, N.S.'
_chemical_formula_moiety 'C20 H48 B8 Cl1 Hf1 Li1 O2 Si2'
_chemical_formula_sum 'C20 H48 B8 Cl1 Hf1 Li1 O2 Si2'
_chemical_formula_weight 684.1
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 1 21/c 1'
_symmetry_space_group_name_Hall '-P 2ybc'
_cell_length_a 16.821(5)
_cell_length_b 16.277(5)
_cell_length_c 12.131(5)
_cell_angle_alpha  90
_cell_angle_beta 90.41(3)
_cell_angle_gamma  90
_cell_volume 3321(2)
_cell_formula_units_Z 4
_exptl_crystal_density_diffrn 1.368
_exptl_crystal_density_meas ?
_exptl_crystal_F_000 1376
_exptl_absorpt_coefficient_mu 3.474
_diffrn_radiation_type Mo
_diffrn_radiation_wavelength 0.71073
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Hf .27690(10)
.05310(10)
 .13010(10)
  .0570(10)
Cl .3484(2) -.0564(2) .0362(3) .0700(10)
Li .1257(17) .1077(18) .297(3)   .115(13)
Si(1) .2338(3) .0377(3) -.1969(4) .093(2)
Si(2) .3019(3) -.1518(3) .3168(3) .075(2)
C(1) .2020(8) .0516(7) -.0489(12) .068(5)
C(2) .1627(8) -.0079(9) .0240(12) .072(6)
B(3) .1279(9) .0342(11) .1276(17) .083(8)
B(4) .1481(9) .1311(10) .1094(16) .081(7)
B(5) .1952(9) .1391(9) -.0046(15) .072(6)
B(6) .1087(12) .0800(10) -.0005(17) .091(8)
C(7) .1432(10) -.0978(8) -.0101(13) .098(7)
C(8) .1588(12) .0828(13) -.2893(17) .164(12)
C(9) .3254(11) .0957(11) -.2175(13) .128(9)
C(10) .2548(15) -.0701(10) -.2364(15) .152(12)
C(11) .3077(8) -.0388(9) .2954(10) .072(5)
C(12) .3770(8) .0147(9) .2784(10) .069(5)
B(13) .3598(11) .1096(11) .2909(13) .085(7)
B(14) .2624(11) .1117(11) .3243(15) .085(7)
B(15) .2335(10) .0168(11) .3242(13) .074(7)
B(16) .3222(14) .0426(12) .3898(15) .097(9)
C(17) .4597(8) -.0204(10) .2785(12) .092(6)
C(18) .3794(9) -.2089(8) .2476(12) .092(7)
C(19) .3095(11) -.1690(10) .4674(10) .110(8)
C(20) .2048(9) -.1849(9) .2627(13) .096(7)
O(21) .3604(5) .1435(5) .0617(7) .070(4)
C(22) .4446(8) .1250(9) .0398(12) .084(6)
C(23) .4762(9) .2065(11) .0035(14) .101(7)
C(24) .4286(9) .2688(10) .0592(14) .100(7)
C(25) .3506(8) .2339(8) .0703(14) .090(7)
O(26) .0431(7) .1315(8) .3870(10) .123(5)
C(27) .0510(17) .171(2)   .487(2)   .240(14)
C(28) -.0249(15) .1958(15) .530(2)   .161(9)
C(29) -.081(2)   .152(2)   .461(3)   .251(15)
C(30) -.0326(18) .158(3)   .364(3)   .31(2)
H(3) .0788 .0001 .1803 ?
H(4) .1058 .1619 .1430 ?
H(5) .2126 .1995 -.0526 ?
H(6) .0492 .0614 -.0479 ?
H(7a) .0939 -.0975 -.0504 ?
H(7b) .1846 -.1190 -.0562 ?
H(7c) .1381 -.1319 .0540 ?
H(8a) .1096 .0535 -.2814 ?
H(8b) .1504 .1400 -.2740 ?
H(8c) .1778 .0766 -.3633 ?
H(9a) .3173 .1517 -.1955 ?
H(9b) .3670 .0719 -.1732 ?
H(9c) .3404 .0940 -.2937 ?
H(10a) .2067 -.1010 -.2267 ?
H(10b) .2698 -.0715 -.3126 ?
H(10c) .2964 -.0937 -.1921 ?
H(13) .4130 .1587 .3057 ?
H(14) .2223 .1616 .3603 ?
H(15) .1755 -.0149 .3580 ?
H(16) .3341 .0314 .4756 ?
H(17a) .4780 -.0291 .3527 ?
H(17b) .4616 -.0713 .2386 ?
H(17c) .4932 .0193 .2432 ?
H(18a) .3770 -.1985 .1697 ?
H(18b) .4306 -.1930 .2758 ?
H(18c) .3710 -.2663 .2611 ?
H(19a) .3070 -.2273 .4786 ?
H(19b) .3592 -.1484 .4955 ?
H(19c) .2665 -.1429 .5054 ?
H(20a) .2013 -.1729 .1853 ?
H(20b) .1994 -.2430 .2739 ?
H(20c) .1631 -.1567 .3008 ?
H(22a) .4496 .0829 -.0152 ?
H(22b) .4718 .1081 .1058 ?
H(23a) .4673 .2124 -.0743 ?
H(23b) .5318 .2130 .0191 ?
H(24a) .4263 .3206 .0212 ?
H(24b) .4516 .2776 .1308 ?
H(25a) .3275 .2480 .1399 ?
H(25b) .3164 .2533 .0121 ?