Zirconium and hafnium polyhedral oligosilsesquioxane complexes – green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade
Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens; Catalysis Science & Technology 11 (2021) 211–218; doi:10.1039/D0CY01864C

data_1559558
_publ_section_title
;
 Zirconium and hafnium polyhedral oligosilsesquioxane complexes -- green
 homogeneous catalysts in the formation of bio-derived ethers via a
 MPV/etherification reaction cascade
;
_journal_issue                   1
_journal_name_full               'Catalysis Science &amp; Technology'
_journal_page_first              211
_journal_page_last               218
_journal_paper_doi               10.1039/D0CY01864C
_journal_volume                  11
_journal_year                    2021
_chemical_formula_sum            'C68 H156 Hf2 O28 Si14'
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_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
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;
2020-06-10 deposited with the CCDC.	2020-10-23 downloaded from the CCDC.
;
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_cell_measurement_temperature    100(2)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\w scans'
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_diffrn_radiation_source         'fine-focus sealed tube'
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'Re-crystallisation from solvent: Hexanes'
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_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0536P)^2^+10.7932P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.107
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_reflns_Friedel_coverage         0
_reflns_number_gt                5785
_reflns_number_total             9914
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           III
_cod_depositor_comments
'Adding full bibliography for 1559556--1559559.cif.'
_cod_database_code               1559558
_shelx_estimated_absorpt_t_min   0.874
_shelx_estimated_absorpt_t_max   0.901
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_shelx_res_checksum              43013
_shelx_fab_checksum              25124