Siloxane-based linkers in the construction of hydrogen bonded assemblies and porous 3D MOFs
Delmas, Luke C.; Horton, Peter N.; White, Andrew J. P.; Coles, Simon J.; Lickiss, Paul D.; Davies, Robert P.; Chemical Communications  (2017) –; doi:10.1039/C7CC06022J

data_7120851
_publ_section_title
;
 Siloxane-based linkers in the construction of hydrogen bonded assemblies
 and porous 3D MOFs
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C7CC06022J
_journal_year                    2017
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_chemical_formula_sum            'C33 H48 N4 O15 Si Zn2'
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;
 ?
;
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_audit_update_record
;
2017-08-01 deposited with the CCDC.
2017-09-21 downloaded from the CCDC.
;
_cell_angle_alpha                112.029(5)
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_computing_cell_refinement
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Rigaku CrystalClear-SM Expert 3.1 b27
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Rigaku CrystalClear-SM Expert 3.1 b27
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Rigaku CrystalClear-SM Expert 3.1 b27
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_diffrn_ambient_temperature      100(2)
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;
Rigaku CrystalClear-SM Expert 3.1 b27
;
_exptl_crystal_colour            Colourless
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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^)+(0.1109P)^2^+4.3015P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                8338
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7cc06022j2.cif
_cod_data_source_block           IMP19
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_database_code               7120851
_shelx_estimated_absorpt_t_min   0.736
_shelx_estimated_absorpt_t_max   0.951
_shelxl_version_number           2013-4
_shelx_res_checksum              75107