A New Fluoroaluminophosphate Chain with an Al/P Ratio of Unity
Wenfu Yan; Jihong Yu; Zhan Shi; Ruren Xu; Inorganic Chemistry 40 (2001) 379–383; doi:10.1021/ic000879j

data_4319188
_publ_contact_author
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XU, Ruren
Key Lab of Inorganic Synthesis and Preparative Chemistry
Department of Chemistry
Jilin University
Changchun 130023
P. R. China
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_publ_contact_author_email       rrxu@mail.jlu.edu.cn
_publ_contact_author_fax         '86 431 5671974'
_publ_contact_author_phone       '86 431 8922331 2479'
_publ_section_title
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 A New Fluoroaluminophosphate Chain with an Al/P Ratio of Unity
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_journal_name_full               'Inorganic Chemistry'
_journal_page_first              379
_journal_page_last               383
_journal_paper_doi               10.1021/ic000879j
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C4 H11 Al F N O4 P'
_chemical_formula_weight         214.09
_chemical_name_systematic
; 
 ? 
;
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_cell_length_b                   9.3626(15)
_cell_length_c                   10.6131(17)
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_computing_cell_refinement       'Bruker SMART'
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_diffrn_ambient_temperature      293(2)
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_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_h_max       5
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_diffrn_reflns_limit_k_min       -10
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_diffrn_reflns_theta_full        23.27
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_diffrn_reflns_theta_min         2.11
_exptl_absorpt_coefficient_mu    0.402
_exptl_crystal_density_diffrn    1.601
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             222
_exptl_crystal_size_max          0.800
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.899
_refine_diff_density_min         -0.500
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     153
_refine_ls_number_reflns         1279
_refine_ls_number_restraints     0
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1130P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1536
_refine_ls_wR_factor_ref         0.1644
_reflns_number_gt                1013
_reflns_number_total             1279
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic000879j.cif
_cod_data_source_block           AlPO-CJ8
_cod_depositor_comments
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The following automatic conversions were performed:
data name '_publ_contact_autor' replaced with '_publ_contact_author'
as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 4998 2017-03-02 13:24:31Z antanas 
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_cod_original_cell_volume        444.14(12)
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