On the Origin of the Differences in Structure Directing Properties of Polar Metal Oxyfluoride [MOxF6-x](2-) (x = 1, 2) Building Units.
Gautier, Romain; Gautier, Régis; Chang, Kelvin B.; Poeppelmeier, Kenneth R.; Inorganic chemistry 54 (2015) 1712–1719; doi:10.1021/ic5026735

data_4342217
_publ_section_title
;
 On the Origin of the Differences in Structure Directing Properties of
 Polar Metal Oxyfluoride [MOxF6-x](2-) (x = 1, 2) Building Units.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1712
_journal_page_last               1719
_journal_paper_doi               10.1021/ic5026735
_journal_volume                  54
_journal_year                    2015
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_chemical_formula_moiety         'C10 H10 N2, F4 O2 W '
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.5011
_cell_measurement_theta_min      2.8616
_cell_measurement_wavelength     0.71073
_cell_volume                     1152.08(6)
_computing_cell_refinement       'SAINT V7.68A integration software'
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device       '\k-geometry diffractometer'
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_diffrn_orient_matrix_UB_32      -0.571684E-2
_diffrn_orient_matrix_UB_33      -0.187803E-1
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
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;
SADABS-2008/1 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.595
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             840
_exptl_crystal_size_max          0.334
_exptl_crystal_size_mid          0.207
_exptl_crystal_size_min          0.156
_refine_diff_density_max         1.142
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3487
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.173
_refine_ls_R_factor_all          0.0254
_refine_ls_R_factor_gt           0.0233
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0238P)^2^+3.9339P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0575
_refine_ls_wR_factor_ref         0.0585
_reflns_number_gt                3212
_reflns_number_total             3487
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5026735_si_004.cif
_cod_data_source_block           rg22c_0m
_cod_depositor_comments
'Adding full bibliography for 4342215--4342219.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4342217