Solvent effects on the crystal structure of silver pentacyanocyclopentadienide: supramolecular isomerism and solvent coordination.
Nimax, P. R.; Reimann, D.; Sünkel, K; Dalton transactions (Cambridge, England : 2003) 47 (2018) 8476–8482; doi:10.1039/c8dt01276h

data_7046605
_publ_section_title
;
 Solvent effects on the crystal structure of silver
 pentacyanocyclopentadienide: supramolecular isomerism and solvent
 coordination.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8476
_journal_page_last               8482
_journal_paper_doi               10.1039/c8dt01276h
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C10 Ag N5'
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
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_audit_creation_method           'WinGX routine CIF_UPDATE'
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;
2018-03-30 deposited with the CCDC.
2018-06-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_length_b                   11.5780(10)
_cell_length_c                   12.151(2)
_cell_measurement_reflns_used    33
_cell_measurement_temperature    293(2)
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_cell_volume                     950.0(2)
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_computing_data_reduction        'SHELXTL-PLUS 4.11/V'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXTL-PLUS 4.11/V'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device       'SYNTEX R3'
_diffrn_measurement_method       Omega-Scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_min       -17
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_diffrn_standards_decay_%        0
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_diffrn_standards_number         2
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_exptl_absorpt_correction_T_min  0.31
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            dark-yellow
_exptl_crystal_density_diffrn    2.084
_exptl_crystal_description       cube
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_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0292P)^2^+2.0926P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0958
_refine_ls_wR_factor_ref         0.12
_reflns_Friedel_coverage         0
_reflns_number_gt                1378
_reflns_number_total             2775
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt01276h2.cif
_cod_data_source_block           rei4b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Psi-Scan' changed to
'psi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/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 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7046604--7046606.cif.
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7046605