Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning
Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang; CrystEngComm 16 (2014) 6483–; doi:10.1039/c4ce00360h

data_7216166
_publ_section_title
;
 Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks:
 structure and luminescence tuning
;
_journal_issue                   28
_journal_name_full               CrystEngComm
_journal_page_first              6483
_journal_paper_doi               10.1039/c4ce00360h
_journal_volume                  16
_journal_year                    2014
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_chemical_name_systematic
; 
 ? 
;
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_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                86.005(1)
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_cell_length_b                   10.033(1)
_cell_length_c                   12.792(1)
_cell_measurement_reflns_used    3713
_cell_measurement_temperature    296(2)
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_cell_measurement_theta_min      2.84
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_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_k_min       -13
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_diffrn_reflns_theta_max         27.60
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    2.881
_exptl_absorpt_correction_T_max  0.7615
_exptl_absorpt_correction_T_min  0.6885
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.878
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_R_factor_all          0.0318
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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^)+(0.0393P)^2^+0.6753P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0711
_refine_ls_wR_factor_ref         0.0764
_reflns_number_gt                4502
_reflns_number_total             4920
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce00360h2.cif
_cod_data_source_block           110108a_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7216165--7216170.cif.
;
_cod_original_cell_volume        1109.7(2)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C25 H15 Eu N4 O6.50'
_cod_database_code               7216166