Homoleptic zirconium amidates: single source precursors for the aerosol-assisted chemical vapour deposition of ZrO2
Amanda L. Catherall; Michael S. Hill; Andrew L. Johnson; Gabriele Kociok-Kohn; Mary F. Mahon; Journal of Materials Chemistry C 4 (2016) 10731–10739; doi:10.1039/C6TC03631G

data_7235122
_publ_section_title
;
 Homoleptic zirconium amidates: single source precursors for the
 aerosol-assisted chemical vapour deposition of ZrO2
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              10731
_journal_page_last               10739
_journal_paper_doi               10.1039/C6TC03631G
_journal_volume                  4
_journal_year                    2016
_chemical_formula_moiety         'C28 H56 N4 O4 Zr'
_chemical_formula_sum            'C28 H56 N4 O4 Zr'
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_space_group_name_Hall           '-P 1'
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_cell_length_c                   19.0915(10)
_cell_measurement_reflns_used    6713
_cell_measurement_temperature    150.0(3)
_cell_measurement_theta_max      27.0050
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_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
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_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
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_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_environment      N~2~
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_av_unetI/netI     0.1557
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;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.

Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_exptl_crystal_colour            colorless
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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^)+(0.0220P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_Friedel_fraction_max     .
_reflns_number_gt                7659
_reflns_number_total             13381
_reflns_threshold_expression     'I > 2\s(I)'
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