Observation of tancoite-like chains in a one-dimensional metal?organic polymer
Thirumurugan, A.; Pati, Swapan K.; Green, Mark A.; Natarajan, Srinivasan; Journal of Materials Chemistry 13 (2003) 2937–; doi:10.1039/b310778g

data_7205044
_publ_section_title
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 Observation of tancoite-like chains in a one-dimensional metal?organic
 polymer
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_journal_issue                   12
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              2937
_journal_paper_doi               10.1039/b310778g
_journal_volume                  13
_journal_year                    2003
_chemical_formula_sum            'C21 H14 Nd O7'
_chemical_formula_weight         522.56
_chemical_name_systematic
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 ?
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_space_group_IT_number           15
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_symmetry_space_group_name_Hall  '-C 2yc'
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_cell_formula_units_Z            8
_cell_length_a                   20.9868(6)
_cell_length_b                   21.5521(7)
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_cell_measurement_temperature    293(2)
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_computing_molecular_graphics    DIAMOND
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_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Siemens SMART-CCD'
_diffrn_measurement_method       '/w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.902
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod-like
_exptl_crystal_F_000             2048
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
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_refine_ls_R_factor_all          0.0284
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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^)+(0.0284P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0524
_refine_ls_wR_factor_ref         0.0546
_reflns_number_gt                2172
_reflns_number_total             2624
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b310778g.txt
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_cod_depositor_comments
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The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Empirical' changed to 'empirical'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'MonoclinicMonoclinic' was
replaced with 'monoclinic' value as specified in the replacement file
'/home/robertas/cod-tools/perl-scripts/inputs/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7205044