Structural Characterization of a Nanocrystalline Inorganic−Organic Hybrid with Fiberlike Morphology and One-Dimensional Antiferromagnetic Properties
Djerdj, Igor; Cao, Minhua; Rocquefelte, Xavier; Černý, Radovan; Jagličić, Zvonko; Arčon, Denis; Potočnik, Anton; Gozzo, Fabia; Niederberger, Markus; Chemistry of Materials 21 (2009) 3356–; doi:10.1021/cm901345h

data_4001043
_publ_section_title
;
 Structural Characterization of a Nanocrystalline Inorganic&#x2212;Organic
 Hybrid with Fiberlike Morphology and One-Dimensional Antiferromagnetic
 Properties
;
_journal_issue                   14
_journal_name_full               'Chemistry of Materials'
_journal_page_first              3356
_journal_paper_doi               10.1021/cm901345h
_journal_volume                  21
_journal_year                    2009
_chemical_formula_moiety         'C14 O5 V'
_chemical_formula_sum            'C14 O5 V'
_chemical_formula_weight         299.08
_chemical_name_systematic        ' ?'
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 92.145(6)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   20.652(3)
_cell_length_b                   6.798(1)
_cell_length_c                   9.954(1)
_cell_measurement_temperature    293
_cell_volume                     1396.5(3)
_computing_structure_refinement  TOPAS
_computing_structure_solution    FOX
_diffrn_ambient_temperature      293
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     1.03469(2)
_pd_char_colour                  yellow
_pd_instr_location               ' Swiss Light Source'
_pd_meas_2theta_range_inc        0.002001
_pd_meas_2theta_range_max        49.99900
_pd_meas_2theta_range_min        4.01500
_pd_meas_number_of_points        22981
_pd_proc_2theta_range_inc        0.002001
_pd_proc_2theta_range_max        31.0000
_pd_proc_2theta_range_min        4.0107
_pd_proc_ls_background_function  'Chebyshev polynomials'
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_wR_expected     1.28
_pd_proc_ls_prof_wR_factor       2.66
_pd_proc_wavelength              1.03469(2)
_pd_spec_mounting                ' cappilary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_pd_spec_size_axial              10
_pd_spec_size_thick              0.5
_refine_ls_number_parameters     76
_refine_ls_number_reflns         130
_refine_ls_number_restraints     45
_refine_ls_R_I_factor            1.02
_cod_data_source_file            cm901345h_si_003.cif
_cod_data_source_block           vanadium_oxobenzoate
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1396.4(3)
_cod_database_code               4001043
_pd_proc_ls_prof_cr_factor       16.78
_pd_proc_ls_prof_chi2            4.3