Isolation of a Stable Covalent Selenium Azide RSeN3
Thomas M. Klapötke; Burkhard Krumm; Kurt Polborn; Journal of the American Chemical Society 126 (2004) 710–711; doi:10.1021/ja038975h

data_4112144
_publ_contact_author
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 Thomas M. Klap\"otke 
 Department Chemie
 Universit\"at M\"unchen
 Butenandtstr. 5-13
 D-81377 M\"unchen
 Germany
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_publ_contact_author_email       tmk@cup.uni-muenchen.de
_publ_contact_author_fax         '049 89 2180-77492'
_publ_contact_author_phone       '049 89 2180-77491'
_publ_section_title
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 Isolation of a Stable Covalent Selenium Azide RSeN3
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_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              710
_journal_page_last               711
_journal_paper_doi               10.1021/ja038975h
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C9 H12 N4 Se'
_chemical_formula_weight         255.19
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           61
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_cell_angle_gamma                90.00
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_cell_length_c                   22.464(8)
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_computing_data_collection       CAD4(Nonius,_1977)
_computing_data_reduction        process_MOLEN(Fair,_1990)
_computing_molecular_graphics    ZORTEP(Zsolnai,Huttner,_1994)
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_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measurement_device       Nonius_MACH3
_diffrn_measurement_method       \o-scan
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_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1510P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.2273
_refine_ls_wR_factor_obs         0.1727
_reflns_number_observed          1048
_reflns_number_total             1700
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_cod_data_source_file            ja038975hsi20031014_041145.cif
_cod_data_source_block           krumm28
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1510P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.1510P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2173.6(11)
_cod_database_code               4112144