Low-Valent Vanadium Complexes of a Pyrrolide-Based Ligand. Electronic Structure of a Dimeric V(I) Complex with a Short and Weak Metal-Metal Bond
Sougandi Ilango; Balamurugan Vidjayacoumar; Sandro Gambarotta; Serge I. Gorelsky; Inorganic Chemistry 47 (2008) 3265–3273; doi:10.1021/ic702280g

data_4304717
_publ_section_title
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Low-Valent Vanadium Complexes of a Pyrrolide-Based Ligand. Electronic
Structure of a Dimeric V(I) Complex with a Short and Weak Metal-Metal Bond
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3265
_journal_page_last               3273
_journal_paper_doi               10.1021/ic702280g
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C56 H76 K2 N4 O4 V2'
_chemical_formula_weight         1049.28
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
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_diffrn_ambient_temperature      200(2)
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_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_theta_min         1.72
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    0.565
_exptl_absorpt_correction_T_max  0.9723
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_refine_ls_R_factor_gt           0.0541
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'calc w=1/[\s^2^(Fo^2^)+(0.0729P)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1245
_refine_ls_wR_factor_ref         0.1437
_reflns_number_gt                2053
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic702280g-file002.cif
_cod_data_source_block           sg2922
_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 2.4.1 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:

'_exptl_crystal_density_meas' value 'n/a' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
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_cod_database_code               4304717