A hybrid open-framework structure containing different manganese phosphate chains as its building blocks.
Luan, Lindong; Ding, Hejun; Yang, Meng; Lin, Zhien; Huang, Hui; Inorganic chemistry 54 (2015) 19–21; doi:10.1021/ic502601s

data_4341965
_publ_section_title
;
 A hybrid open-framework structure containing different manganese
 phosphate chains as its building blocks.
;
_journal_issue                   1
_journal_name_full               'Inorganic chemistry'
_journal_page_first              19
_journal_page_last               21
_journal_paper_doi               10.1021/ic502601s
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C10 H19 Mn5 N2 O26 P3'
_chemical_formula_weight         950.88
_chemical_name_systematic
; 
 ? 
;
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_cell_length_c                   21.2205(8)
_cell_measurement_reflns_used    3420
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0291
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_diffrn_reflns_limit_h_max       9
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_diffrn_reflns_number            10709
_diffrn_reflns_theta_full        26.37
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_diffrn_reflns_theta_min         3.19
_exptl_absorpt_coefficient_mu    2.658
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_exptl_absorpt_correction_T_min  0.81416
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            light-pink
_exptl_crystal_density_diffrn    2.420
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             942
_exptl_crystal_size_max          0.32
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_refine_ls_number_reflns         5309
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_refine_ls_R_factor_all          0.0475
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0280P)^2^+0.4495P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0692
_refine_ls_wR_factor_ref         0.0756
_reflns_number_gt                4252
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic502601s_si_002.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 4341965--4341966.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4341965