Two new cobalt-zinc orthophosphate monohydrates: hydrothermal synthesis, crystal structures and thermal investigation.
Sørensen, Morten B; Hazell, Rita G.; Bentien, Anders; Bond, Andrew D.; Jensen, Torben R.; Dalton transactions (Cambridge, England : 2003)  (2005) 598–606; doi:10.1039/b412473a

data_7007921
_publ_section_title
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 Two new cobalt-zinc orthophosphate monohydrates: hydrothermal
 synthesis, crystal structures and thermal investigation.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              598
_journal_page_last               606
_journal_paper_doi               10.1039/b412473a
_journal_year                    2005
_chemical_formula_moiety         'Co2.59 H2 O9 P2 Zn0.41'
_chemical_formula_sum            'Co2.59 H2 O9 P2 Zn0.41'
_chemical_formula_weight         387.39
_chemical_name_common            'Cobalt zinc orthophosphate monohydrate'
_chemical_name_systematic
;
Cobalt zinc orthophosphate monohydrate
;
_space_group_IT_number           14
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_computing_molecular_graphics
;
ORTEP-III (Burnett & Johnson,  1996), KRYSTAL
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_computing_publication_material  KRYSTAL
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SIR97 (Altomare et al., 1997 ), KRYSTAL (REFERENCE)
;
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.890
_diffrn_measurement_device       'Siemens SMART CCD diffractometer'
_diffrn_measurement_method       '\w rotation scans with narrow frames'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_min         2.88
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_exptl_absorpt_coefficient_mu    8.52
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_exptl_crystal_colour            pink
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_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       plate
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;
Type 1 Lorentzian isotropic (Becker & Coppens, 1974)
;
_refine_ls_goodness_of_fit_ref   1.370
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_refine_ls_number_reflns         1318
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_refine_ls_R_factor_gt           0.032
_refine_ls_shift/su_max          0.0060
_refine_ls_shift/su_mean         0.0003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
w= 1/{[\s~cs~(F^2^)+B+(1+A)F^2^]^1/2^- |F|}^2^
where A = 0.03 and B = 0.0
;
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            b412473a.txt
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_cod_depositor_comments
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The following automatic conversions were performed:

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Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

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data
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data
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data
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'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 5005 2017-03-03 11:38:54Z antanas 
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_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7007921