A novel two-dimensional mixed molybdenum‒vanadium polyoxometalate with two types of cobalt(ii) complex fragments as bridgesElectronic supplementary information (ESI) available: synthesis and characterization of 1. Fig. S1: view of layers down the a axis of 1. Fig. S2: plots of χT and χ‒1 vs. T for 1. See http://www.rsc.org/suppdata/cc/b2/b202540j/
Liu, Cai-Ming; Zhang, De-Qing; Xiong, Ming; Zhu, Dao-Ben; Chemical Communications  (2002) 1416–; doi:10.1039/b202540j

data_7114006
_publ_section_title
;
 A novel two-dimensional mixed molybdenum--vanadium polyoxometalate with
 two types of cobalt(ii) complex fragments as bridgesElectronic
 supplementary information (ESI) available: synthesis and characterization
 of 1. Fig. S1: view of layers down the a axis of 1. Fig. S2: plots of \cT
 and \c--1 vs. T for 1. See http://www.rsc.org/suppdata/cc/b2/b202540j/
;
_journal_issue                   13
_journal_name_full               'Chemical Communications'
_journal_page_first              1416
_journal_paper_doi               10.1039/b202540j
_journal_year                    2002
_chemical_formula_sum            'C44 H57 Co3 Mo8 N12 O48.5 P V8'
_chemical_formula_weight         2912.82
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.17(3)
_cell_angle_beta                 114.45(3)
_cell_angle_gamma                105.95(3)
_cell_formula_units_Z            2
_cell_length_a                   12.837(3)
_cell_length_b                   14.193(3)
_cell_length_c                   14.590(3)
_cell_measurement_reflns_used    6367
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      33.406
_cell_measurement_theta_min      2.511
_cell_volume                     2101.8(14)
_computing_cell_refinement
;
SMART:BRUKER MOLECULAR ANALYSIS Research
Tool V5.618 Copyr. 1997-00 BrukerAXS
;
_computing_data_collection
;
SMART:BRUKER MOLECULAR ANALYSIS Research
Tool V5.618 Copyr. 1997-00 BrukerAXS  
;
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics
;
Interactive Molecular Graphics XP, Virsion
4.2 for MSDOC(1990), Siemens Analytical
X-ray Instruments Inc., Madison, Wisconsin,
USA.
;
_computing_publication_material
;
Sheldrick, G. M.(1997) SHELXL97, Program
for the refinement of Crystal Structure,
University of Gottingen, Germany.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean '15X15 microns'
_diffrn_measured_fraction_theta_full 0.892
_diffrn_measured_fraction_theta_max 0.892
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0190
_diffrn_reflns_av_sigmaI/netI    0.0390
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            20147
_diffrn_reflns_theta_full        33.49
_diffrn_reflns_theta_max         33.49
_diffrn_reflns_theta_min         2.51
_exptl_absorpt_coefficient_mu    2.683
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.780740
_exptl_absorpt_correction_type
;
empirical'(SADABS, Sheldrick 1996)
;
_exptl_crystal_colour            Dark
_exptl_crystal_density_diffrn    2.301
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1409
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.039
_refine_diff_density_min         -1.073
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     607
_refine_ls_number_reflns         14695
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0552
_refine_ls_R_factor_gt           0.0440
_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^)+(0.0775P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1258
_refine_ls_wR_factor_ref         0.1312
_reflns_number_gt                11452
_reflns_number_total             14695
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b202540j.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/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 
;
_cod_original_cell_volume        2101.8(8)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C44 H57 Co3 Mo8 N12 O48.50 P V8'
_cod_database_code               7114006