An unusual co-crystal [(μ2-dcpm)Ag2(μ2-O2CH)(η(2)-NO3)]2·[(μ2-dcpm)2Ag4(μ2-NO3)4] and its connection to the selective decarboxylation of formic acid in the gas phase.
Zavras, Athanasios; White, Jonathan M.; O'Hair, Richard A J; Dalton transactions (Cambridge, England : 2003) 45 (2016) 19408–19415; doi:10.1039/c6dt03700c

data_7041252
_publ_section_title
;
 An unusual co-crystal
 [(\m2-dcpm)Ag2(\m2-O2CH)(\h(2)-NO3)]2&#x00B7;[(\m2-dcpm)2Ag4(\m2-NO3)4]
 and its connection to the selective decarboxylation of formic acid in the
 gas phase.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              19408
_journal_page_last               19415
_journal_paper_doi               10.1039/c6dt03700c
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C76 H139 Ag6 N5 O17 P6'
_chemical_formula_weight         2227.95
_chemical_name_common
' [(?2-dcpm)Ag2(?2-O2CH)(\h2-NO3)]2.[(?2-dcpm)2Ag4(?2-NO3)4]'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-09-22 deposited with the CCDC.
2016-11-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.7980(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.6390(2)
_cell_length_b                   16.08250(10)
_cell_length_c                   23.41430(10)
_cell_measurement_reflns_used    42528
_cell_measurement_temperature    130.0(2)
_cell_measurement_theta_max      76.9470
_cell_measurement_theta_min      4.0410
_cell_volume                     9245.56(10)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      130.0(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0694
_diffrn_reflns_av_unetI/netI     0.0386
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            99896
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.202
_diffrn_reflns_theta_min         3.285
_exptl_absorpt_coefficient_mu    11.484
_exptl_absorpt_correction_T_max  0.560
_exptl_absorpt_correction_T_min  0.100
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Numerical absorption correction based on gaussian integration over
            a multifaceted crystal model
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.601
_exptl_crystal_description       rod
_exptl_crystal_F_000             4552
_exptl_crystal_size_max          0.4939
_exptl_crystal_size_mid          0.0728
_exptl_crystal_size_min          0.0600
_refine_diff_density_max         1.873
_refine_diff_density_min         -1.681
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     995
_refine_ls_number_reflns         19442
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0506
_refine_ls_R_factor_gt           0.0449
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0680P)^2^+15.7699P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1177
_refine_ls_wR_factor_ref         0.1226
_reflns_Friedel_coverage         0.000
_reflns_number_gt                17121
_reflns_number_total             19442
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt03700c2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7041252.cif.'
_cod_database_code               7041252
_shelx_shelxl_version_number     2014/7
_chemical_oxdiff_usercomment     'Arthur's silver formate DCBM'
_shelx_res_checksum              46898