Floating Zone Single Crystal Growth of γ-CoV2O6with Substantially Enhanced Crystal Size and Quality
Drees, Yvo; Agrestini, Stefano; Zaharko, Oksana; Komarek, Alexander Christoph; Crystal Growth & Design 15 (2015) 1168–; doi:10.1021/cg5015303

data_4512666
_publ_section_title
;
 Floating Zone Single Crystal Growth of \g-CoV2O6with Substantially
 Enhanced Crystal Size and Quality
;
_journal_issue                   3
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              1168
_journal_paper_doi               10.1021/cg5015303
_journal_volume                  15
_journal_year                    2015
_chemical_formula_sum            'Co1.478 O9 V3'
_chemical_formula_weight         383.9
_chemical_name_systematic        ' ?'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.281
_cell_angle_beta                 93.692
_cell_angle_gamma                102.185
_cell_formula_units_Z            2
_cell_length_a                   7.1792
_cell_length_b                   8.8975
_cell_length_c                   4.8117
_cell_measurement_temperature    293
_cell_volume                     299.755
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.98
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0237
_diffrn_reflns_av_sigmaI/netI    0.0087
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            171748
_diffrn_reflns_theta_full        71.56
_diffrn_reflns_theta_max         71.56
_diffrn_reflns_theta_min         2.34
_exptl_absorpt_coefficient_mu    8.553
_exptl_absorpt_correction_T_max  0.4704
_exptl_absorpt_correction_T_min  0.3913
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    4.2535
_exptl_crystal_description       spherical
_exptl_crystal_F_000             359
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.07
_exptl_crystal_size_rad          0.07
_refine_diff_density_max         1.11
_refine_diff_density_min         -1.00
_refine_ls_extinction_coef       360(50)
_refine_ls_extinction_method
'B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_gt    1.80
_refine_ls_goodness_of_fit_ref   1.76
_refine_ls_number_constraints    11
_refine_ls_number_parameters     127
_refine_ls_number_reflns         11803
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0209
_refine_ls_R_factor_gt           0.0185
_refine_ls_shift/su_max          0.0032
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0004I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0498
_refine_ls_wR_factor_ref         0.0505
_reflns_number_gt                11029
_reflns_number_total             11803
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            cg5015303_si_001.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/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 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 4512666.cif.
;
_cod_original_cell_volume        299.7549
_cod_database_code               4512666