Vibrational dynamics (IR, Raman, NRVS) and a DFT study of a new antitumor tetranuclearstannoxane cluster, Sn(iv)-oxo-{di-o-vanillin} dimethyl dichloride.
Arjmand, F.; Sharma, S.; Usman, M.; Leu, B. M.; Hu, M. Y.; Toupet, L.; Gosztola, D.; Tabassum, S.; Physical chemistry chemical physics : PCCP 18 (2016) 17805–17809; doi:10.1039/c6cp02914k

data_7225851
_publ_section_title
;
 Vibrational dynamics (IR, Raman, NRVS) and a DFT study of a new antitumor
 tetranuclearstannoxane cluster, Sn(iv)-oxo-{di-o-vanillin} dimethyl
 dichloride.
;
_journal_issue                   27
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              17805
_journal_page_last               17809
_journal_paper_doi               10.1039/c6cp02914k
_journal_volume                  18
_journal_year                    2016
_chemical_formula_sum            'C12 H19 Cl N2 O2 Sn2'
_chemical_formula_weight         496.12
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/cc1j3jkq
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_audit_update_record
;
2015-06-11 deposited with the CCDC.
2016-06-10 downloaded from the CCDC.
;
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'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.37.35'
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'CrysAlis CCD, Oxford Diffraction Ltd.,Version 1.171.37.35'
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'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.37.35'
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_diffrn_measurement_device       'four-circle diffractometer'
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_diffrn_source                   'sealed X-ray tube'
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;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
(compiled Feb  9 2015,16:26:32)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1121P)^2^+1.0859P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                3025
_reflns_number_total             3236
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments          'Adding full bibliography for 7225851.cif.'
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_shelx_res_checksum              88445