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_4341966
_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 H18 Mn4 N2 O22 P2'
_chemical_formula_weight         799.96
_chemical_name_systematic
; 
 ? 
;
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 79.142(4)
_cell_angle_gamma                86.695(4)
_cell_formula_units_Z            1
_cell_length_a                   7.7895(3)
_cell_length_b                   8.0754(5)
_cell_length_c                   9.7286(6)
_cell_measurement_reflns_used    3533
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      71.8340
_cell_measurement_theta_min      4.7680
_cell_volume                     582.86(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'New Gemini, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0504
_diffrn_reflns_av_sigmaI/netI    0.0391
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -6
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_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6223
_diffrn_reflns_theta_full        67.02
_diffrn_reflns_theta_max         67.02
_diffrn_reflns_theta_min         4.76
_exptl_absorpt_coefficient_mu    19.577
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.32515
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            light-pink
_exptl_crystal_density_diffrn    2.279
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       sticky
_exptl_crystal_F_000             398
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
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_refine_diff_density_min         -0.709
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     200
_refine_ls_number_reflns         2077
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.090
_refine_ls_R_factor_all          0.0501
_refine_ls_R_factor_gt           0.0483
_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^)+(0.0935P)^2^+0.4575P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1355
_refine_ls_wR_factor_ref         0.1375
_reflns_number_gt                1937
_reflns_number_total             2077
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic502601s_si_003.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               4341966