LMucko/crystallography-open-database huggingface dataset:
; Organometallics  (2004) –; doi:

data_4063021
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C24 H42 N O2 P Ti'
_chemical_formula_weight         455.46
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.510(10)
_cell_length_b                   8.536(4)
_cell_length_c                   15.276(8)
_cell_measurement_temperature    293(2)
_cell_volume                     2675(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.131
_cod_database_code               4063021
; Organometallics  (2004) –; doi:

data_4063022
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C29 H44 B Li N6 O2'
_chemical_formula_weight         526.45
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                88.177(9)
_cell_angle_beta                 85.130(8)
_cell_angle_gamma                64.541(10)
_cell_formula_units_Z            2
_cell_length_a                   9.8875(10)
_cell_length_b                   10.1790(14)
_cell_length_c                   17.1760(15)
_cell_measurement_temperature    293(2)
_cell_volume                     1555.2(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.124
_cod_database_code               4063022
; Organometallics  (2004) –; doi:

data_4063023
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C33 H51 B Li2 N6 O3'
_chemical_formula_weight         604.49
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.6245(11)
_cell_length_b                   9.7384(10)
_cell_length_c                   38.395(4)
_cell_measurement_temperature    293(2)
_cell_volume                     3598.7(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.116
_cod_database_code               4063023
; Organometallics  (2004) –; doi:

data_4063024
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C29 H43 B K2 N6 O2'
_chemical_formula_weight         596.70
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 104.833(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.9893(15)
_cell_length_b                   15.4349(18)
_cell_length_c                   19.073(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3411.9(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.162
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4063024
; Organometallics  (2004) –; doi:10.1021/om0498302

data_4063025
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0498302
_journal_year                    2004
_chemical_formula_moiety         'C32 H58 N2 Si4'
_chemical_formula_sum            'C32 H58 N2 Si4'
_chemical_formula_weight         583.16
_chemical_name_common            '[C6H4(NCH2tBu)2Si(Ad)Si(SiMe3)2]'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.720(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.9066(3)
_cell_length_b                   18.7310(3)
_cell_length_c                   22.4504(3)
_cell_measurement_temperature    223(2)
_cell_volume                     7222.0(2)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.073
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4063025
; Organometallics  (2004) –; doi:

data_4063026
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_moiety         'C26 H27 B F4 N O2 P Pd'
_chemical_formula_sum            'C26 H27 B F4 N O2 P Pd'
_chemical_formula_weight         609.67
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.757(1)
_cell_length_b                   14.3783(2)
_cell_length_c                   15.4551(2)
_cell_measurement_temperature    298(2)
_cell_volume                     2612.62(5)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.550
_refine_ls_R_factor_obs          0.0310
_refine_ls_wR_factor_obs         0.0674
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4063026
; Organometallics  (2004) –; doi:

data_4063027
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_moiety         'C27 H29 N O2 P Pd, P F6'
_chemical_formula_sum            'C27 H29 F6 N O2 P2 Pd'
_chemical_formula_weight         681.85
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.8551(2)
_cell_length_b                   13.81460(10)
_cell_length_c                   21.6204(2)
_cell_measurement_temperature    298(2)
_cell_volume                     2943.49(7)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.539
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4063027
; Organometallics  (2004) –; doi:10.1021/om049835z

data_4063028
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049835z
_journal_year                    2004
_chemical_formula_sum            'C46 H41 B F20 N2 Zr'
_chemical_formula_weight         1103.84
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 114.0510(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.4507(5)
_cell_length_b                   32.4226(9)
_cell_length_c                   18.0794(5)
_cell_measurement_temperature    193(2)
_cell_volume                     9341.2(5)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.570
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4063028
; Organometallics  (2004) –; doi:10.1021/om049835z

data_4063029
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049835z
_journal_year                    2004
_chemical_formula_moiety         'C17 H30 Cl2 N2 Zr'
_chemical_formula_sum            'C17 H30 Cl2 N2 Zr'
_chemical_formula_weight         424.55
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.2310(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.4813(2)
_cell_length_b                   14.9398(4)
_cell_length_c                   16.1598(5)
_cell_measurement_temperature    203(2)
_cell_volume                     2047.57(10)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.377
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4063029
; Organometallics  (2004) –; doi:10.1021/om049835z

data_4063030
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049835z
_journal_year                    2004
_chemical_formula_sum            'C23 H34 Cl2 N2 Zr'
_chemical_formula_weight         500.64
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 102.6380(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.9186(4)
_cell_length_b                   14.0189(4)
_cell_length_c                   13.7982(4)
_cell_measurement_temperature    193(2)
_cell_volume                     2438.37(12)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.364
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4063030
; Organometallics  (2004) –; doi:10.1021/om049835z

data_4063031
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049835z
_journal_year                    2004
_chemical_formula_sum            'C21 H38 Cl2 N2 Zr'
_chemical_formula_weight         480.65
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 110.486(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.687(3)
_cell_length_b                   18.867(3)
_cell_length_c                   14.364(2)
_cell_measurement_temperature    193(2)
_cell_volume                     4744.0(12)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.346
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4063031
; Organometallics  (2004) –; doi:10.1021/om049835z

data_4063032
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049835z
_journal_year                    2004
_chemical_formula_sum            'C17 H30 Cl2 N2 Zr'
_chemical_formula_weight         424.55
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.4374(3)
_cell_length_b                   14.3873(4)
_cell_length_c                   15.1505(5)
_cell_measurement_temperature    203(2)
_cell_volume                     2057.12(11)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.371
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4063032
; Organometallics  (2004) –; doi:10.1021/om049835z

data_4063033
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049835z
_journal_year                    2004
_chemical_formula_moiety         'C19 H36 N2 Zr'
_chemical_formula_sum            'C19 H36 N2 Zr'
_chemical_formula_weight         383.72
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 102.22
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.1924(2)
_cell_length_b                   11.7577(3)
_cell_length_c                   17.2669(4)
_cell_measurement_temperature    203(2)
_cell_volume                     2022.37(8)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.260
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4063033
; Organometallics  (2004) –; doi:10.1021/om049835z

data_4063034
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049835z
_journal_year                    2004
_chemical_formula_sum            'C23 H44 N2 Zr'
_chemical_formula_weight         439.82
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 98.507(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.9053(18)
_cell_length_b                   9.984(2)
_cell_length_c                   28.057(6)
_cell_measurement_temperature    193(2)
_cell_volume                     2467.1(9)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.184
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4063034
; Organometallics  (2004) –; doi:10.1021/om049835z

data_4063035
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049835z
_journal_year                    2004
_chemical_formula_moiety         'C47 H35 B Cl2 F20 N2 Zr'
_chemical_formula_sum            'C47 H35 B Cl2 F20 N2 Zr'
_chemical_formula_weight         1180.70
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.4895(5)
_cell_length_b                   17.4563(4)
_cell_length_c                   24.1544(6)
_cell_measurement_temperature    173(2)
_cell_volume                     9482.6(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.654
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4063035
; Organometallics  (2004) –; doi:10.1021/om049838b

data_4063036
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049838b
_journal_year                    2004
_chemical_formula_moiety         'C23 H24 N2 O Pd'
_chemical_formula_sum            'C23 H24 N2 O Pd'
_chemical_formula_weight         450.84
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 101.7910(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.2326(9)
_cell_length_b                   17.7648(17)
_cell_length_c                   12.1457(11)
_cell_measurement_temperature    143(2)
_cell_volume                     1950.0(3)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    1.536
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4063036
; Organometallics  (2004) –; doi:10.1021/om0498394

data_4063037
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0498394
_journal_year                    2004
_chemical_formula_moiety         'C26 H18 Br2 N2 Ni '
_chemical_formula_sum            'C26 H18 Br2 N2 Ni'
_chemical_formula_weight         576.95
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                67.70(4)
_cell_angle_beta                 73.47(4)
_cell_angle_gamma                64.02(4)
_cell_formula_units_Z            1
_cell_length_a                   8.588(5)
_cell_length_b                   8.740(5)
_cell_length_c                   9.090(4)
_cell_measurement_temperature    123.1
_cell_volume                     561.7(5)
_exptl_crystal_density_diffrn    1.705
_cod_original_formula_sum        'C26 H18 Br2 N2 Ni '
_cod_database_code               4063037
; Organometallics  (2004) –; doi:10.1021/om0498394

data_4063038
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0498394
_journal_year                    2004
_chemical_formula_moiety         'C30 H26 Br2 N2 Ni '
_chemical_formula_sum            'C30 H26 Br2 N2 Ni'
_chemical_formula_weight         633.06
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.1(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.08(2)
_cell_length_b                   14.76(3)
_cell_length_c                   16.46(3)
_cell_measurement_temperature    123.1
_cell_volume                     2790(8)
_exptl_crystal_density_diffrn    1.507
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C30 H26 Br2 N2 Ni '
_cod_database_code               4063038
Organometallic Isocyanocyclopentadienides: A Combined Synthetic, Spectroscopic, Structural, Electrochemical, and Theoretical Investigation
Thomas H. Holovics; Stephan F. Deplazes; Masaharu Toriyama; Douglas R. Powell; Gerald H. Lushington; Mikhail Barybin; Organometallics  (2004) –; doi:10.1021/om049842n

data_4063039
_publ_section_title
;
 Organometallic Isocyanocyclopentadienides:  A Combined Synthetic,
 Spectroscopic, Structural, Electrochemical, and Theoretical Investigation
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049842n
_journal_year                    2004
_chemical_formula_moiety         '(C66 H54 Cr Fe6 N6), (C H2 Cl2)'
_chemical_formula_sum            'C67 H56 Cl2 Cr Fe6 N6'
_chemical_formula_weight         1403.18
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.226(2)
_cell_angle_beta                 95.533(2)
_cell_angle_gamma                111.283(2)
_cell_formula_units_Z            1
_cell_length_a                   9.7777(11)
_cell_length_b                   10.6494(12)
_cell_length_c                   14.6628(17)
_cell_measurement_temperature    100(2)
_cell_volume                     1411.5(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.651
_cod_database_code               4063039
Organometallic Isocyanocyclopentadienides: A Combined Synthetic, Spectroscopic, Structural, Electrochemical, and Theoretical Investigation
Thomas H. Holovics; Stephan F. Deplazes; Masaharu Toriyama; Douglas R. Powell; Gerald H. Lushington; Mikhail Barybin; Organometallics  (2004) –; doi:10.1021/om049842n

data_4063040
_publ_section_title
;
 Organometallic Isocyanocyclopentadienides:  A Combined Synthetic,
 Spectroscopic, Structural, Electrochemical, and Theoretical Investigation
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049842n
_journal_year                    2004
_chemical_formula_moiety         'C54 H24 Cr Mn6 N6 O18'
_chemical_formula_sum            'C54 H24 Cr Mn6 N6 O18'
_chemical_formula_weight         1426.43
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                94.215(4)
_cell_angle_beta                 91.765(4)
_cell_angle_gamma                93.017(4)
_cell_formula_units_Z            2
_cell_length_a                   12.422(3)
_cell_length_b                   12.638(3)
_cell_length_c                   16.810(3)
_cell_measurement_temperature    100(2)
_cell_volume                     2626.6(10)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.804
_cod_database_code               4063040