Speciation of metal phosphonates with the assistance of weak interactions.
Hou, Xiaomin; Tang, Si-Fu; Dalton transactions (Cambridge, England : 2003) 45 (2016) 7349–7359; doi:10.1039/c6dt00643d

data_7038763
_publ_section_title
;
 Speciation of metal phosphonates with the assistance of weak
 interactions.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7349
_journal_page_last               7359
_journal_paper_doi               10.1039/c6dt00643d
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C17 H16 N2 O6 P2 Zn'
_chemical_formula_weight         471.63
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-03-09 deposited with the CCDC.
2016-03-11 downloaded from the CCDC.
;
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_computing_publication_material  'Bruker SHELXTL'
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_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
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_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0576
_diffrn_reflns_Laue_measured_fraction_full 0.996
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_diffrn_source                   'fine-focus sealed tube'
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_refine_ls_R_factor_all          0.0559
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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;
 w=1/[\s^2^(Fo^2^)+(0.0353P)^2^+0.3536P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0815
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                3117
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           5
_cod_depositor_comments
'Adding full bibliography for 7038759--7038764.cif.'
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