Soluble polycyclosilane-polysiloxane hybrid material and silicon thin film with optical properties at 193 nm and etch selectivity
Sung Jin Park; Hyeon Mo Cho; Myong Euy Lee; Miyoung Kim; Kwenwoo Han; Seunghee Hong; Sanghak Lim; Hansong Lee; Byeonggyu Hwang; Sang Kyun Kim; Sangdeok Shim; Philjae Kang; Moon-Gun Choi; Journal of Materials Chemistry C 3 (2015) 239–242; doi:10.1039/C4TC01917B

data_7233961
_publ_section_title
;
 Soluble polycyclosilane-polysiloxane hybrid material and silicon thin
 film with optical properties at 193 nm and etch selectivity
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              239
_journal_page_last               242
_journal_paper_doi               10.1039/C4TC01917B
_journal_volume                  3
_journal_year                    2015
_chemical_formula_moiety         'C6 H18 Cl6 Si6'
_chemical_formula_sum            'C6 H18 Cl6 Si6'
_chemical_formula_weight         471.44
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_cell_angle_alpha                90
_cell_angle_beta                 109.717(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.7183(15)
_cell_length_b                   9.8193(8)
_cell_length_c                   13.5232(12)
_cell_measurement_reflns_used    8059
_cell_measurement_temperature    100
_cell_measurement_theta_max      28.38
_cell_measurement_theta_min      2.44
_cell_volume                     2214.8(3)
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
XS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.0213
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2316
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.362
_diffrn_reflns_theta_min         2.407
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.085
_exptl_absorpt_correction_T_max  0.745688
_exptl_absorpt_correction_T_min  0.641151
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.
For component 1:
 wR2(int) was 0.0558 before and 0.0460 after correction.
 The Ratio of minimum to maximum transmission is 0.86.
 The \l/2 correction factor is Not present
For component 2:
 wR2(int) was 0.0648 before and 0.0549 after correction.
 The Ratio of minimum to maximum transmission is 0.86.
 The \l/2 correction factor is Not present
Final HKLF 4 output contains 48429 reflections, Rint = 0.0439
 (27930 with I > 3sig(I), Rint = 0.0338)
;
_exptl_crystal_colour            'clear whitish colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   whitish
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.414
_exptl_crystal_description       block
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.819
_refine_diff_density_min         -0.530
_refine_diff_density_rms         0.108
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.143
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     108
_refine_ls_number_reflns         2316
_refine_ls_number_restraints     103
_refine_ls_restrained_S_all      1.158
_refine_ls_R_factor_all          0.0555
_refine_ls_R_factor_gt           0.0506
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0627P)^2^+12.9135P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1353
_refine_ls_wR_factor_ref         0.1391
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2181
_reflns_number_total             2316
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            1000001.cif
_cod_data_source_block           PCOD1000001
_cod_database_code               7233961
_olex2_refinement_description
;
1. Others
 Fixed Uiso: H1"A(0.068) H1"B(0.068) H1"C(0.068) H2'A(0.029) H2'B(0.029)
 H2'C(0.029) H3'A(0.059) H3'B(0.059) H3'C(0.059) H1A(0.033) H1B(0.033)
 H1C(0.033) H2A(0.086) H2B(0.086) H2C(0.086) H3A(0.075) H3B(0.075) H3C(0.075)
 Fixed X: H1"A(0.1872) H1"B(0.1313) H1"C(0.2237) H2'A(0.3309) H2'B(0.423)
 H2'C(0.3589) H3'A(0.491) H3'B(0.5202) H3'C(0.4882) H1A(0.2278) H1B(0.1348)
 H1C(0.1912) H2A(0.4028) H2B(0.464) H2C(0.3878) H3A(0.3306) H3B(0.4105)
 H3C(0.4162)
 Fixed Y: H1"A(0.0363) H1"B(-0.0756) H1"C(-0.1086) H2'A(0.195) H2'B(0.155)
 H2'C(0.0399) H3'A(0.44) H3'B(0.2852) H3'C(0.3634) H1A(-0.1971) H1B(-0.1572)
 H1C(-0.1033) H2A(-0.1259) H2B(-0.0364) H2C(-0.1048) H3A(0.2607) H3B(0.1737)
 H3C(0.3343)
 Fixed Z: H1"A(-0.1856) H1"B(-0.1588) H1"C(-0.1395) H2'A(0.2369) H2'B(0.261)
 H2'C(0.2607) H3'A(0.0514) H3'B(0.0727) H3'C(0.1546) H1A(0.0654) H1B(0.0224)
 H1C(0.1348) H2A(0.1349) H2B(0.0981) H2C(0.0124) H3A(-0.179) H3B(-0.1266) H3C(-
 0.1428)
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