# Supplementary Material (ESI) for Journal of Materials Chemistry
# This journal is © The Royal Society of Chemistry 2004


data_global
_journal_name_full               J.Mater.Chem.

_journal_coden_Cambridge         1145

_publ_contact_author_name        'Dr Sanjay Mathur'
_publ_contact_author_address     
;
CVD Division
Leibniz Institute of New Materials
Saarbruecken
66123
GERMANY
;

_publ_contact_author_email       SMATHUR@INM-GMBH.DE

_publ_section_title              
;
Kinetically Controlled Synthesis of Metastable
YAlO3 Through Molecular Level Design
;
loop_
_publ_author_name
'Sanjay Mathur'
'Nicole Donia'
'Aivaras Kareiva'
'Rasa Rapalaviciute'
'Hao Shen'

data_shelxs1389
_database_code_depnum_ccdc_archive 'CCDC 238253'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C21 H50 Al O7 Y'
_chemical_formula_weight         530.50

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.499(2)
_cell_length_b                   12.168(2)
_cell_length_c                   13.017(3)
_cell_angle_alpha                81.35(3)
_cell_angle_beta                 66.95(3)
_cell_angle_gamma                71.06(3)
_cell_volume                     1446.8(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       'Rectangular bars'
_exptl_crystal_colour            Colourless
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.218
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             568
_exptl_absorpt_coefficient_mu    2.078
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.8765
_exptl_absorpt_correction_T_max  0.9979
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'STOE STADI4 4-circle-diffractometer D045'
_diffrn_measurement_method       
;
Scan width (omega) = 1.00 - 1.15, scan ratio 2theta:omega = 1.00
I(Net) and sigma(I) calculated according to Blessing (1987)
;
_diffrn_detector_area_resol_mean ?
_diffrn_radiation_detector       'NaI(Tl) scintillation counter'
_diffrn_standards_number         3
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  60
_diffrn_standards_decay_%        0.1
_diffrn_reflns_number            3935
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0415
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         1.70
_diffrn_reflns_theta_max         23.52
_reflns_number_total             3935
_reflns_number_gt                3196
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'STADI4 (STOE, 1996)'
_computing_cell_refinement       'STADI4 (STOE, 1996)'
_computing_data_reduction        'X-RED  (STOE, 1996)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0677P)^2^+1.5645P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3935
_refine_ls_number_parameters     275
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0758
_refine_ls_R_factor_gt           0.0519
_refine_ls_wR_factor_ref         0.1396
_refine_ls_wR_factor_gt          0.1212
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_restrained_S_all      1.101
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000

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
Y Y 0.35282(5) 0.12295(5) 0.06197(4) 0.0478(2) Uani 1 1 d . . .
Al Al 0.29219(18) 0.25023(15) 0.28387(14) 0.0570(5) Uani 1 1 d . . .
O1 O 0.4169(3) -0.0695(3) 0.0361(3) 0.0482(9) Uani 1 1 d . . .
O2 O 0.2966(4) 0.3003(3) 0.1469(3) 0.0555(9) Uani 1 1 d . . .
O3 O 0.3860(4) 0.1083(3) 0.2320(3) 0.0531(9) Uani 1 1 d . . .
O4 O 0.1250(4) 0.1293(4) 0.2017(3) 0.0682(11) Uani 1 1 d . . .
H H -0.042(5) 0.189(4) 0.516(4) 0.030(11) Uiso 1 1 d . . .
O5 O 0.2691(4) 0.1983(4) -0.0558(3) 0.0721(12) Uani 1 1 d . . .
O6 O 0.1251(4) 0.2463(4) 0.3639(3) 0.0727(12) Uani 1 1 d . . .
O7 O 0.3561(5) 0.3154(4) 0.3478(4) 0.0865(14) Uani 1 1 d . . .
C1 C 0.3326(10) -0.1426(8) 0.0609(8) 0.106(3) Uani 1 1 d . . .
H1 H 0.2450 -0.0880 0.1093 0.128 Uiso 1 1 calc R . .
C2 C 0.2755(10) -0.1436(10) -0.0195(8) 0.136(4) Uani 1 1 d . . .
H2A H 0.2760 -0.0739 -0.0651 0.204 Uiso 1 1 calc R . .
H2B H 0.1779 -0.1477 0.0170 0.204 Uiso 1 1 calc R . .
H2C H 0.3333 -0.2100 -0.0655 0.204 Uiso 1 1 calc R . .
C3 C 0.3404(13) -0.2271(9) 0.1432(9) 0.159(5) Uani 1 1 d . . .
H3A H 0.3790 -0.2061 0.1907 0.238 Uiso 1 1 calc R . .
H3B H 0.4023 -0.3000 0.1096 0.238 Uiso 1 1 calc R . .
H3C H 0.2453 -0.2340 0.1867 0.238 Uiso 1 1 calc R . .
C4 C 0.2258(10) 0.4127(6) 0.1143(7) 0.093(2) Uani 1 1 d . . .
H4 H 0.1590 0.4017 0.0839 0.111 Uiso 1 1 calc R . .
C5 C 0.1362(12) 0.4891(8) 0.2097(9) 0.157(5) Uani 1 1 d . . .
H5A H 0.0715 0.4512 0.2658 0.236 Uiso 1 1 calc R . .
H5B H 0.0811 0.5603 0.1853 0.236 Uiso 1 1 calc R . .
H5C H 0.1973 0.5058 0.2403 0.236 Uiso 1 1 calc R . .
C6 C 0.3166(12) 0.4657(9) 0.0303(9) 0.177(6) Uani 1 1 d . . .
H6A H 0.3721 0.4147 -0.0316 0.265 Uiso 1 1 calc R . .
H6B H 0.3807 0.4829 0.0574 0.265 Uiso 1 1 calc R . .
H6C H 0.2602 0.5365 0.0065 0.265 Uiso 1 1 calc R . .
C7 C 0.4392(7) 0.0045(5) 0.2870(5) 0.0683(17) Uani 1 1 d . . .
H7 H 0.5007 -0.0545 0.2304 0.082 Uiso 1 1 calc R . .
C8 C 0.5284(9) 0.0218(7) 0.3424(7) 0.109(3) Uani 1 1 d . . .
H8A H 0.6062 0.0486 0.2885 0.164 Uiso 1 1 calc R . .
H8B H 0.5674 -0.0505 0.3759 0.164 Uiso 1 1 calc R . .
H8C H 0.4701 0.0785 0.3991 0.164 Uiso 1 1 calc R . .
C9 C 0.3231(10) -0.0399(7) 0.3679(8) 0.120(3) Uani 1 1 d . . .
H9A H 0.2654 -0.0515 0.3311 0.181 Uiso 1 1 calc R . .
H9B H 0.2635 0.0152 0.4260 0.181 Uiso 1 1 calc R . .
H9C H 0.3642 -0.1125 0.3998 0.181 Uiso 1 1 calc R . .
C10 C -0.0037(7) 0.1386(7) 0.1877(7) 0.091(2) Uani 1 1 d . . .
H10 H 0.0210 0.1048 0.1162 0.110 Uiso 1 1 calc R . .
C11 C -0.0825(9) 0.0688(10) 0.2783(10) 0.151(4) Uani 1 1 d . . .
H11A H -0.0238 -0.0107 0.2740 0.227 Uiso 1 1 calc R . .
H11B H -0.1712 0.0731 0.2704 0.227 Uiso 1 1 calc R . .
H11C H -0.1039 0.0986 0.3492 0.227 Uiso 1 1 calc R . .
C12 C -0.0848(9) 0.2630(9) 0.1838(9) 0.130(4) Uani 1 1 d . . .
H12A H -0.0269 0.3017 0.1224 0.195 Uiso 1 1 calc R . .
H12B H -0.1068 0.2982 0.2524 0.195 Uiso 1 1 calc R . .
H12C H -0.1731 0.2699 0.1741 0.195 Uiso 1 1 calc R . .
C13 C 0.2051(11) 0.2585(9) -0.1303(9) 0.119(3) Uani 1 1 d . . .
H13 H 0.1265 0.3181 -0.0805 0.143 Uiso 1 1 calc R . .
C14 C 0.2669(14) 0.3275(12) -0.2100(11) 0.205(8) Uani 1 1 d . . .
H14A H 0.3154 0.3641 -0.1825 0.307 Uiso 1 1 calc R . .
H14B H 0.1942 0.3860 -0.2314 0.307 Uiso 1 1 calc R . .
H14C H 0.3359 0.2823 -0.2736 0.307 Uiso 1 1 calc R . .
C15 C 0.1200(11) 0.1948(9) -0.1464(9) 0.136(4) Uani 1 1 d . . .
H15A H 0.0808 0.1533 -0.0785 0.204 Uiso 1 1 calc R . .
H15B H 0.1803 0.1407 -0.2052 0.204 Uiso 1 1 calc R . .
H15C H 0.0424 0.2481 -0.1661 0.204 Uiso 1 1 calc R . .
C16 C 0.0356(10) 0.2889(13) 0.4712(8) 0.145(4) Uani 1 1 d . . .
H16 H 0.0543 0.3640 0.4643 0.174 Uiso 1 1 calc R . .
C17 C 0.0690(18) 0.2440(17) 0.5578(10) 0.273(11) Uani 1 1 d . . .
H17A H 0.1706 0.2307 0.5394 0.409 Uiso 1 1 calc R . .
H17B H 0.0464 0.1715 0.5792 0.409 Uiso 1 1 calc R . .
H17C H 0.0147 0.2965 0.6185 0.409 Uiso 1 1 calc R . .
C18 C -0.1068(14) 0.325(2) 0.4827(13) 0.362(18) Uani 1 1 d . . .
H18A H -0.1153 0.3615 0.4139 0.544 Uiso 1 1 calc R . .
H18B H -0.1606 0.3805 0.5414 0.544 Uiso 1 1 calc R . .
H18C H -0.1444 0.2599 0.5010 0.544 Uiso 1 1 calc R . .
C19 C 0.4634(13) 0.3459(11) 0.3489(10) 0.143(4) Uani 1 1 d . . .
H19 H 0.5481 0.2836 0.3081 0.172 Uiso 1 1 calc R . .
C20 C 0.4922(15) 0.4464(13) 0.2884(13) 0.211(7) Uani 1 1 d . . .
H20A H 0.4889 0.4466 0.2156 0.317 Uiso 1 1 calc R . .
H20B H 0.5865 0.4474 0.2808 0.317 Uiso 1 1 calc R . .
H20C H 0.4207 0.5139 0.3273 0.317 Uiso 1 1 calc R . .
C21 C 0.4716(17) 0.3354(13) 0.4583(11) 0.219(8) Uani 1 1 d . . .
H21A H 0.4523 0.2647 0.4948 0.329 Uiso 1 1 calc R . .
H21B H 0.4014 0.4005 0.5018 0.329 Uiso 1 1 calc R . .
H21C H 0.5668 0.3341 0.4509 0.329 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Y 0.0389(3) 0.0548(4) 0.0527(3) -0.0035(2) -0.0211(2) -0.0112(2)
Al 0.0525(10) 0.0610(11) 0.0617(11) -0.0112(8) -0.0222(8) -0.0162(8)
O1 0.0401(19) 0.053(2) 0.057(2) -0.0001(17) -0.0178(17) -0.0218(17)
O2 0.053(2) 0.049(2) 0.066(2) -0.0018(18) -0.0261(19) -0.0119(18)
O3 0.056(2) 0.056(2) 0.052(2) 0.0004(17) -0.0278(18) -0.0136(18)
O4 0.037(2) 0.089(3) 0.082(3) -0.018(2) -0.019(2) -0.020(2)
O5 0.065(3) 0.082(3) 0.073(3) 0.003(2) -0.043(2) -0.006(2)
O6 0.054(2) 0.092(3) 0.063(3) -0.021(2) -0.007(2) -0.021(2)
O7 0.086(3) 0.102(4) 0.098(3) -0.021(3) -0.044(3) -0.040(3)
C1 0.114(6) 0.110(6) 0.136(7) 0.029(6) -0.062(6) -0.080(6)
C2 0.127(7) 0.194(11) 0.153(8) -0.001(7) -0.068(7) -0.111(8)
C3 0.212(12) 0.144(9) 0.175(10) 0.072(8) -0.090(9) -0.132(9)
C4 0.118(6) 0.059(4) 0.099(6) 0.001(4) -0.050(5) -0.012(4)
C5 0.148(9) 0.095(7) 0.161(10) -0.001(7) -0.041(8) 0.032(6)
C6 0.170(11) 0.095(7) 0.171(11) 0.055(7) -0.002(9) -0.020(7)
C7 0.080(4) 0.063(4) 0.065(4) 0.001(3) -0.038(4) -0.011(3)
C8 0.130(7) 0.104(6) 0.130(7) 0.006(5) -0.104(6) -0.016(5)
C9 0.124(7) 0.098(6) 0.126(7) 0.050(6) -0.042(6) -0.044(6)
C10 0.046(4) 0.121(7) 0.117(6) -0.038(5) -0.031(4) -0.021(4)
C11 0.078(6) 0.174(10) 0.212(12) -0.028(9) -0.024(7) -0.077(7)
C12 0.064(5) 0.159(9) 0.158(9) -0.029(7) -0.051(6) 0.002(6)
C13 0.140(8) 0.114(7) 0.142(8) 0.027(6) -0.109(7) -0.029(6)
C14 0.229(15) 0.267(17) 0.208(13) 0.166(13) -0.167(12) -0.156(14)
C15 0.138(8) 0.165(10) 0.147(9) 0.009(7) -0.107(8) -0.037(7)
C16 0.081(6) 0.253(14) 0.087(7) -0.040(8) -0.003(5) -0.050(8)
C17 0.230(18) 0.40(3) 0.082(8) -0.030(12) -0.030(10) 0.023(17)
C18 0.088(10) 0.73(5) 0.179(15) -0.20(2) 0.002(9) 0.018(17)
C19 0.180(11) 0.159(10) 0.164(10) 0.024(8) -0.104(9) -0.105(9)
C20 0.220(15) 0.239(17) 0.264(17) 0.097(14) -0.145(14) -0.158(14)
C21 0.33(2) 0.278(18) 0.203(13) 0.046(12) -0.199(15) -0.177(16)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Y O5 2.019(4) . ?
Y O1 2.170(3) 2_655 ?
Y O1 2.255(3) . ?
Y O3 2.344(3) . ?
Y O4 2.356(4) . ?
Y O2 2.368(4) . ?
Y Al 3.227(2) . ?
Y Y 3.557(2) 2_655 ?
Al O7 1.659(4) . ?
Al O6 1.666(4) . ?
Al O3 1.770(4) . ?
Al O2 1.782(4) . ?
O1 C1 1.371(7) . ?
O1 Y 2.170(3) 2_655 ?
O2 C4 1.420(8) . ?
O3 C7 1.416(7) . ?
O4 C10 1.399(7) . ?
O5 C13 1.380(8) . ?
O6 C16 1.405(10) . ?
O7 C19 1.301(10) . ?
C1 C3 1.376(11) . ?
C1 C2 1.399(11) . ?
C4 C6 1.375(11) . ?
C4 C5 1.469(12) . ?
C7 C9 1.462(10) . ?
C7 C8 1.464(9) . ?
C10 C11 1.479(12) . ?
C10 C12 1.482(11) . ?
C13 C14 1.329(12) . ?
C13 C15 1.445(12) . ?
C16 C17 1.301(15) . ?
C16 C18 1.367(15) . ?
C19 C20 1.404(14) . ?
C19 C21 1.444(13) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O5 Y O1 101.81(15) . 2_655 ?
O5 Y O1 104.62(16) . . ?
O1 Y O1 73.04(14) 2_655 . ?
O5 Y O3 156.30(15) . . ?
O1 Y O3 93.88(13) 2_655 . ?
O1 Y O3 96.85(13) . . ?
O5 Y O4 93.68(16) . . ?
O1 Y O4 162.08(14) 2_655 . ?
O1 Y O4 94.49(14) . . ?
O3 Y O4 74.49(13) . . ?
O5 Y O2 94.34(15) . . ?
O1 Y O2 108.20(13) 2_655 . ?
O1 Y O2 160.41(12) . . ?
O3 Y O2 63.64(13) . . ?
O4 Y O2 79.20(14) . . ?
O5 Y Al 124.10(13) . . ?
O1 Y Al 110.15(10) 2_655 . ?
O1 Y Al 127.74(10) . . ?
O3 Y Al 32.39(9) . . ?
O4 Y Al 66.97(10) . . ?
O2 Y Al 32.82(9) . . ?
O5 Y Y 106.55(12) . 2_655 ?
O1 Y Y 37.33(9) 2_655 2_655 ?
O1 Y Y 35.71(8) . 2_655 ?
O3 Y Y 96.71(9) . 2_655 ?
O4 Y Y 129.07(11) . 2_655 ?
O2 Y Y 141.99(9) . 2_655 ?
Al Y Y 126.75(5) . 2_655 ?
O7 Al O6 111.0(2) . . ?
O7 Al O3 121.8(2) . . ?
O6 Al O3 105.4(2) . . ?
O7 Al O2 118.6(2) . . ?
O6 Al O2 108.9(2) . . ?
O3 Al O2 88.77(18) . . ?
O7 Al Y 146.59(19) . . ?
O6 Al Y 102.46(16) . . ?
O3 Al Y 45.18(12) . . ?
O2 Al Y 46.07(12) . . ?
C1 O1 Y 122.5(5) . 2_655 ?
C1 O1 Y 130.1(5) . . ?
Y O1 Y 106.96(14) 2_655 . ?
C4 O2 Al 127.4(4) . . ?
C4 O2 Y 126.5(4) . . ?
Al O2 Y 101.11(16) . . ?
C7 O3 Al 129.7(3) . . ?
C7 O3 Y 126.4(3) . . ?
Al O3 Y 102.43(16) . . ?
C10 O4 Y 127.9(4) . . ?
C13 O5 Y 174.8(5) . . ?
C16 O6 Al 130.7(5) . . ?
C19 O7 Al 149.0(7) . . ?
O1 C1 C3 118.7(8) . . ?
O1 C1 C2 114.9(7) . . ?
C3 C1 C2 124.2(8) . . ?
C6 C4 O2 114.2(8) . . ?
C6 C4 C5 111.2(9) . . ?
O2 C4 C5 112.3(7) . . ?
O3 C7 C9 112.3(6) . . ?
O3 C7 C8 110.8(6) . . ?
C9 C7 C8 109.8(7) . . ?
O4 C10 C11 107.7(7) . . ?
O4 C10 C12 109.2(6) . . ?
C11 C10 C12 114.7(7) . . ?
C14 C13 O5 121.0(9) . . ?
C14 C13 C15 122.0(9) . . ?
O5 C13 C15 109.8(8) . . ?
C17 C16 C18 118.9(13) . . ?
C17 C16 O6 120.8(11) . . ?
C18 C16 O6 111.1(10) . . ?
O7 C19 C20 118.8(10) . . ?
O7 C19 C21 113.2(10) . . ?
C20 C19 C21 113.6(10) . . ?

_diffrn_measured_fraction_theta_max 0.918
_diffrn_reflns_theta_full        23.52
_diffrn_measured_fraction_theta_full 0.918
_refine_diff_density_max         0.416
_refine_diff_density_min         -0.524
_refine_diff_density_rms         0.068