Synthesis and properties of MoCl<sub>4</sub> complexes with thio- and seleno-ethers and their use for chemical vapour deposition of MoSe<sub>2</sub> and MoS<sub>2</sub> films.
Chang, Yao-Pang; Hector, Andrew L.; Levason, William; Reid, Gillian; Whittam, Joshua; Dalton transactions (Cambridge, England : 2003) 47 (2018) 2406–2414; doi:10.1039/c7dt04352j

data_7045433
_publ_section_title
;
 Synthesis and properties of MoCl<sub>4</sub> complexes with thio- and
 seleno-ethers and their use for chemical vapour deposition of
 MoSe<sub>2</sub> and MoS<sub>2</sub> films.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2406
_journal_page_last               2414
_journal_paper_doi               10.1039/c7dt04352j
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C5 H12 Cl4 Mo S2'
_chemical_formula_sum            'C5 H12 Cl4 Mo S2'
_chemical_formula_weight         374.01
_chemical_properties_physical
', Air-sensitive,Moisture-sensitive,Oxygen-sensitive'
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_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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_audit_update_record
;
2017-06-20 deposited with the CCDC.
2017-12-18 downloaded from the CCDC.
;
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_cell_length_b                   7.3230(2)
_cell_length_c                   12.5840(5)
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_cell_measurement_theta_min      2.9550
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_computing_cell_refinement       'Bruker FRAMBO'
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_computing_molecular_graphics    'Bruker SHELXTL'
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_diffrn_measurement_device_type  'Rigaku AFC12 (Left)'
_diffrn_measurement_method       'profile data from \w-scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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; 
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            'dark red'
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_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: CH2Cl2'
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_R_factor_all          0.0218
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0264P)^2^+0.6851P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0516
_refine_ls_wR_factor_ref         0.0528
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2161
_reflns_number_total             2335
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt04352j2.cif
_cod_data_source_block           2016_0110k1
_cod_depositor_comments
'Adding full bibliography for 7045431--7045436.cif.'
_cod_database_code               7045433
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_shelx_res_checksum              47922