Oligosiloxanediols as building blocks for supramolecular chemistry: hydrogen-bonded adducts with amines form supramolecular structures in zero, one and two dimensions
O'Leary, Brian; Spalding, Trevor R.; Ferguson, George; Glidewell, Christopher; Acta Crystallographica Section B 56 (2000) 273–286; doi:10.1107/S0108768199013051

data_2102019
_publ_section_title
;
 Oligosiloxanediols as building blocks for supramolecular chemistry:
 hydrogen-bonded adducts with amines form supramolecular structures in
 zero, one and two dimensions
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              273
_journal_page_last               286
_journal_paper_doi               10.1107/S0108768199013051
_journal_volume                  56
_journal_year                    2000
_chemical_formula_moiety         '4(C36 H32 O4 Si3), C4 H4 N2'
_chemical_formula_sum            'C148 H132 N2 O16 Si12'
_chemical_formula_weight         2531.64
_chemical_name_systematic
;
1,1,3,3,5,5-Hexaphenyltrisiloxane-1,5-diol--pyrazine (4/1)
;
_space_group_IT_number           2
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_cell_measurement_theta_min      9.30
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'SET4 & CELDIM in CAD-4-PC Software (Enraf-Nonius, 1992)'
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'NRCVAX96, ORTEP (Johnson, 1976), PLATON (Spek, 1998)'
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'NRCVAX96, SHELXL97  and WordPerfect macro PREP8 (Ferguson, 1998)'
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_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      294.0(10)
_diffrn_measured_fraction_theta_full .998
_diffrn_measured_fraction_theta_max .998
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
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_refine_diff_density_max         .263
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_refine_ls_extinction_coef       .0225(9)
_refine_ls_extinction_method     SHELXL
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         14788
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_refine_ls_R_factor_all          .0675
_refine_ls_R_factor_gt           .0401
_refine_ls_shift/su_max          .003
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0698P)^2^+0.0963P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_original_cell_volume        3402.7(5)
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