New Lanthanide Complexes for Sensitized Visible and Near-IR Light Emission: Synthesis,1H NMR, and X-ray Structural Investigation and Photophysical Properties
Silvio Quici; Giovanni Marzanni; Alessandra Forni; Gianluca Accorsi; Francesco Barigelletti; Inorganic Chemistry 43 (2004) 1294–1301; doi:10.1021/ic035143b

data_4310615
_publ_contact_author_address
;    CNR - Istituto di Scienze e Tecnologie Molecolari
     Via Golgi 19
     I-20133 Milano
     Italy
;
_publ_contact_author_email       a.forni@istm.cnr.it
_publ_contact_author_fax         39(2)50314300
_publ_contact_author_name        'Dr. Alessandra Forni'
_publ_contact_author_phone       39(2)50314273
_publ_section_title
;
 New Lanthanide Complexes for Sensitized Visible and Near-IR Light
 Emission: Synthesis,1H NMR, and X-ray Structural Investigation and
 Photophysical Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1294
_journal_page_last               1301
_journal_paper_doi               10.1021/ic035143b
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         'C28 H33 Eu N6 O6 . 7O'
_chemical_formula_sum            'C28 H33 Eu N6 O13'
_chemical_formula_weight         813.56
_chemical_name_systematic
; 
10-[(9-methyl-1,10-phenanthrol-2-yl)methyl]-1,4,7,10-
tetraazacyclododecane-1,4,7-triacetate-europium(iii) heptahydrate 
;
_space_group_IT_number           2
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_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
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_audit_creation_date             'Tue Feb  25 05:12:08 2003'
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;manual editing of form.cif from SHELXL-97 (Sheldrick, 1997) and
 PARSTCIF (Nardelli, 1991)
;
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_cell_angle_gamma                62.458(10)
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_cell_length_c                   16.082(3)
_cell_measurement_reflns_used    9645
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_cell_measurement_theta_min      2.206
_cell_volume                     1688.2(6)
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_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP III ( Burnett&Johnson, 1996)'
_computing_publication_material  'SHELXL-97,PARST (Nardelli, 1995)'
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_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.913
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_diffrn_measurement_device_type  'Bruker SMART APEX'
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_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_standards_decay_%        0.00
_exptl_absorpt_coefficient_mu    1.929
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_exptl_absorpt_process_details
;
SADABS, Bruker, 1997
;
_exptl_crystal_colour            colourless
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0397P)^2^+1.7857P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                10682
_reflns_number_total             11510
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic035143bsi20031002_053211_2.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 
;
_cod_original_cell_volume        1688.2(5)
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