Long-range coupling in cyclic silanes.
Ferguson, John T.; Jiang, Qifeng; Marro, Eric A.; Siegler, Maxime A.; Klausen, Rebekka S.; Dalton transactions (Cambridge, England : 2003) 49 (2020) 14951–14961; doi:10.1039/d0dt03163a

data_7705701
_publ_section_title
;
 Long-range coupling in cyclic silanes.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14951
_journal_page_last               14961
_journal_paper_doi               10.1039/d0dt03163a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C42 H102 K2 O12 Si9, C7 H8'
_chemical_formula_sum            'C49 H110 K2 O12 Si9'
_chemical_formula_weight         1222.37
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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_atom_sites_solution_secondary   difmap
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_audit_update_record
;
2020-06-04 deposited with the CCDC.	2020-10-16 downloaded from the CCDC.
;
_cell_angle_alpha                74.5249(19)
_cell_angle_beta                 73.536(2)
_cell_angle_gamma                87.0261(18)
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_cell_length_c                   19.5884(4)
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_cell_measurement_temperature    130(2)
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_diffrn_ambient_temperature      130(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_k_min       -21
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_diffrn_reflns_limit_l_min       -25
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_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 1.000
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;
CrysAlisPro 1.171.39.29c (Rigaku Oxford Diffraction, 2017)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.109
_exptl_crystal_description       block
_exptl_crystal_F_000             1328
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_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.20
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_refine_diff_density_min         -0.345
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      1.076
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0378P)^2^+2.8616P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1067
_refine_ls_wR_factor_ref         0.1149
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13516
_reflns_number_total             16817
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7705698--7705701.cif.'
_cod_database_code               7705701
_oxdiff_exptl_absorpt_empirical_full_min 0.675
_oxdiff_exptl_absorpt_empirical_full_max 1.243
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_shelxl_version_number           2014-3
_shelx_res_checksum              84572