Synthesis and crystal structure of a series of incommensurately modulated composite oxohalide compounds.
Zimmermann, Iwan; Corgnet, Alexis; Johnsson, Mats; Lidin, Sven; Dalton transactions (Cambridge, England : 2003)  (2014) –; doi:10.1039/c4dt02084g

data_7036770
_publ_section_title
;
 Synthesis and crystal structure of a series of incommensurately modulated
 composite oxohalide compounds.
;
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_paper_doi               10.1039/c4dt02084g
_journal_year                    2014
_chemical_formula_sum            'I4 O8 Sb4 Zn3.682'
_chemical_formula_weight         1363.3
_chemical_name_systematic        ' ?'
_space_group_IT_number           4
_space_group_ssg_name            P21(\a0\g)0
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_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.054(13)
_cell_angle_gamma                90
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_cell_length_c                   10.6741(14)
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_cell_measurement_theta_max      28.84
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_computing_cell_refinement
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
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_exptl_absorpt_coefficient_mu    18.782
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
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_exptl_crystal_density_diffrn    5.3644
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_refine_diff_density_min         -4.84
_refine_ls_extinction_method     none
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_refine_ls_number_parameters     361
_refine_ls_number_reflns         16749
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2432
_refine_ls_R_factor_gt           0.0729
_refine_ls_shift/su_max          0.0497
_refine_ls_shift/su_mean         0.0097
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0711
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_reflns_number_gt                4073
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_reflns_threshold_expression     I>3\s(I)
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