LMucko/crystallography-open-database huggingface dataset:
Isolated Single Molecule Magnets on native gold
Roberta Sessoli; Roberto Biagi; Daniele Bonacchi; Guillaume Chastanet; Andrea Cornia; Del Pennino,Umberto; D. Gatteschi; Matteo Mannini; Mirko Pacchioni; Chiara Zanardi; Laura Zobbi; Chemical Communications  (2005) –; doi:10.1039/b418072k

data_7100783
_publ_section_title
;
Isolated Single Molecule Magnets on native gold
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418072k
_journal_year                    2005
_chemical_formula_iupac          '[Mn12 O12 (C8 H7 O2 S)16 (H2 O)4].8(C H Cl3)'
_chemical_formula_moiety         'Mn12 C128 H120 O48 S16,C8 H8 Cl24'
_chemical_formula_sum            'C136 H128 Cl24 Mn12 O48 S16'
_chemical_formula_weight         4553.42
_space_group_IT_number           82
_space_group_name_Hall           'I -4'
_space_group_name_H-M_alt        'I -4'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   19.9340(10)
_cell_length_b                   19.9340(10)
_cell_length_c                   25.343(3)
_cell_measurement_temperature    193(2)
_cell_volume                     10070.4(14)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.502
_cod_database_code               7100783
Anion-assisted trans-cis isomerization of palladium(II) phosphine complexes containing acetanilide functionalities through hydrogen bonding interactions
Vivian Yam; Chi-Chiu Ko; Xiao-Xia Lu; Hau-San Tang; Jenny Ka-Yan Wong; Nianyong Zhu; Chemical Communications  (2005) –; doi:10.1039/b418202b

data_7100784
_publ_section_title
;
Anion-assisted trans-cis isomerization of
palladium(II) phosphine complexes containing acetanilide functionalities
through hydrogen bonding interactions
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418202b
_journal_year                    2005
_chemical_formula_moiety         'C40 H30 P1 Pd1'
_chemical_formula_sum            'C72 H108 Cl4 N4 O2 P2 Pd'
_chemical_formula_weight         1371.76
_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                 92.42(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.641(3)
_cell_length_b                   18.267(4)
_cell_length_c                   15.156(3)
_cell_measurement_temperature    301(2)
_cell_volume                     3773.2(14)
_diffrn_ambient_temperature      301(2)
_exptl_crystal_density_diffrn    1.207
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7100784
Linking solution chemistry to crystal nucleation:the case of tetrolic acid
Roger Davey; G. Dent; S. Parveen; Chemical Communications  (2005) –; doi:10.1039/b418603f

data_7100788
_publ_section_title
;
Linking solution chemistry to crystal nucleation:the
case of tetrolic acid
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418603f
_journal_year                    2005
_chemical_formula_moiety         'C12 H16 O6'
_chemical_formula_sum            'C12 H16 O6'
_chemical_formula_weight         256.25
_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                97.557(3)
_cell_angle_beta                 92.948(3)
_cell_angle_gamma                91.670(2)
_cell_formula_units_Z            1
_cell_length_a                   4.1673(2)
_cell_length_b                   6.5063(4)
_cell_length_c                   12.4424(6)
_cell_measurement_temperature    223(2)
_cell_measurement_wavelength     0.71073
_cell_volume                     333.77(3)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.275
_cod_database_code               7100788
Steric Engineering of C-F Activation with Lanthanoid Formamidinates
Peter Junk; Marcus L. Cole; Glen B. Deacon; Kristina Konstas; Chemical Communications  (2005) –; doi:10.1039/b419047e

data_7100789
_publ_section_title
;
Steric Engineering of C-F Activation with Lanthanoid
Formamidinates
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b419047e
_journal_year                    2005
_chemical_formula_moiety         'C61 H86 F La N4 O'
_chemical_formula_sum            'C61 H86 F La N4 O'
_chemical_formula_weight         1049.25
_chemical_name_common            (La(DippForm)2(F)(THF)).C7H8
_chemical_temperature_decomposition 557
_space_group_IT_number           2
_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                92.904(4)
_cell_angle_beta                 104.552(6)
_cell_angle_gamma                91.186(4)
_cell_formula_units_Z            2
_cell_length_a                   12.6721(9)
_cell_length_b                   13.6678(12)
_cell_length_c                   17.264(3)
_cell_measurement_temperature    173(2)
_cell_volume                     2888.8(6)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.206
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_temperature_decomposition' since the value had been '557
dec.'. The value '557 dec.' was changed to '557'.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               7100789
Steric Engineering of C-F Activation with Lanthanoid Formamidinates
Peter Junk; Marcus L. Cole; Glen B. Deacon; Kristina Konstas; Chemical Communications  (2005) –; doi:10.1039/b419047e

data_7100790
_publ_section_title
;
Steric Engineering of C-F Activation with Lanthanoid
Formamidinates
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b419047e
_journal_year                    2005
_chemical_formula_moiety         'C35 H44 F4 N2 O'
_chemical_formula_sum            'C35 H44 F4 N2 O'
_chemical_formula_weight         584.72
_chemical_melting_point          433
_chemical_name_common            (DippForm(CH2)4O(o-HC6F4))
_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                 98.5310(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.6132(3)
_cell_length_b                   20.4222(7)
_cell_length_c                   14.8655(6)
_cell_measurement_temperature    123(2)
_cell_volume                     3186.37(19)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.219
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7100790
Macropolyhedral boron-containing cluster chemistry. Synchrotron X-ray structural analysis of [(PMe2Ph)2Pd2B16H20(PMe2Ph)2] and [(PMe2Ph)3Pt2B16H18(PMe2Ph)]: Models of intermediates to more condensed metallaboranes from the [(PMe2Ph)2PtB8H12] thermolysis system.
John D. Kennedy; Michael G. S. Londesborough; Elizabeth J. MacLean; S. J. Teat; Mark Thornton-Pett; Chemical Communications  (2005) –; doi:10.1039/b419242g

data_7100791
_publ_section_title
;
Macropolyhedral boron-containing cluster chemistry.
Synchrotron X-ray structural analysis of [(PMe2Ph)2Pd2B16H20(PMe2Ph)2]
and [(PMe2Ph)3Pt2B16H18(PMe2Ph)]: Models of intermediates to more
condensed metallaboranes from the [(PMe2Ph)2PtB8H12] thermolysis system.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b419242g
_journal_year                    2005
_chemical_formula_sum            'C32 H64 B16 P4 Pd2'
_chemical_formula_weight         958.47
_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                84.051(2)
_cell_angle_beta                 83.669(2)
_cell_angle_gamma                81.165(2)
_cell_formula_units_Z            8
_cell_length_a                   9.5388(4)
_cell_length_b                   30.0590(14)
_cell_length_c                   33.0514(15)
_cell_measurement_temperature    150(2)
_cell_volume                     9270.8(7)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.373
_cod_database_code               7100791
Macropolyhedral boron-containing cluster chemistry. Synchrotron X-ray structural analysis of [(PMe2Ph)2Pd2B16H20(PMe2Ph)2] and [(PMe2Ph)3Pt2B16H18(PMe2Ph)]: Models of intermediates to more condensed metallaboranes from the [(PMe2Ph)2PtB8H12] thermolysis system.
John D. Kennedy; Michael G. S. Londesborough; Elizabeth J. MacLean; S. J. Teat; Mark Thornton-Pett; Chemical Communications  (2005) –; doi:10.1039/b419242g

data_7100792
_publ_section_title
;
Macropolyhedral boron-containing cluster chemistry.
Synchrotron X-ray structural analysis of [(PMe2Ph)2Pd2B16H20(PMe2Ph)2]
and [(PMe2Ph)3Pt2B16H18(PMe2Ph)]: Models of intermediates to more
condensed metallaboranes from the [(PMe2Ph)2PtB8H12] thermolysis system.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b419242g
_journal_year                    2005
_chemical_formula_sum            'C32 H62 B16 P4 Pt2'
_chemical_formula_weight         1133.84
_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                 106.0630(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.3975(11)
_cell_length_b                   10.2760(5)
_cell_length_c                   18.4033(8)
_cell_measurement_temperature    150(2)
_cell_volume                     4615.5(4)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.632
_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               7100792
Variation in Crystallization Conditions Allows the Isolation of Trimeric as Well as Dimeric and Monomeric Forms of [(Alkyl Isocyanide)4RhI]+.
A.L. Balch; James C. Fettinger; Marilyn M. Olmstead; David Pham; Jay Stork; Ngon Tran; Chemical Communications  (2006) –; doi:10.1039/b513700d

data_7100793
_publ_section_title
;
Variation in Crystallization Conditions Allows the
Isolation of Trimeric as Well as Dimeric and Monomeric Forms of [(Alkyl
Isocyanide)4RhI]+.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b513700d
_journal_year                    2006
_chemical_formula_moiety         'C28 H44 N4 Rh, C24 H20 B'
_chemical_formula_sum            'C52 H64 B N4 Rh'
_chemical_formula_weight         858.79
_chemical_name_common            '[Rh(CNC~6~H~11~)~4~]B(C~6~H~5~)~4~'
_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                72.1180(10)
_cell_angle_beta                 86.7140(10)
_cell_angle_gamma                66.9070(10)
_cell_formula_units_Z            2
_cell_length_a                   11.9948(7)
_cell_length_b                   13.9469(8)
_cell_length_c                   15.4951(9)
_cell_measurement_temperature    90(2)
_cell_volume                     2263.4(2)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.260
_cod_database_code               7100793
Variation in Crystallization Conditions Allows the Isolation of Trimeric as Well as Dimeric and Monomeric Forms of [(Alkyl Isocyanide)4RhI]+.
A.L. Balch; James C. Fettinger; Marilyn M. Olmstead; David Pham; Jay Stork; Ngon Tran; Chemical Communications  (2006) –; doi:10.1039/b513700d

data_7100794
_publ_section_title
;
Variation in Crystallization Conditions Allows the
Isolation of Trimeric as Well as Dimeric and Monomeric Forms of [(Alkyl
Isocyanide)4RhI]+.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b513700d
_journal_year                    2006
_chemical_formula_moiety         'C16 H28 N4 Rh, C24 H20 B'
_chemical_formula_sum            'C40 H48 B N4 Rh'
_chemical_formula_weight         698.54
_chemical_name_common            '[Rh(i-PrNC)~4~]B(C~6~H~5~)~4~'
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.2642(6)
_cell_length_b                   14.2642(6)
_cell_length_c                   18.6642(16)
_cell_measurement_temperature    90(2)
_cell_volume                     3797.6(4)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.222
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               7100794
Variation in Crystallization Conditions Allows the Isolation of Trimeric as Well as Dimeric and Monomeric Forms of [(Alkyl Isocyanide)4RhI]+.
A.L. Balch; James C. Fettinger; Marilyn M. Olmstead; David Pham; Jay Stork; Ngon Tran; Chemical Communications  (2006) –; doi:10.1039/b513700d

data_7100795
_publ_section_title
;
Variation in Crystallization Conditions Allows the
Isolation of Trimeric as Well as Dimeric and Monomeric Forms of [(Alkyl
Isocyanide)4RhI]+.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b513700d
_journal_year                    2006
_chemical_formula_moiety
'2(C28 H44 N4 Rh), 0.5(C6 H6), 2(H2 O), 2(Cl)'
_chemical_formula_sum            'C59 H97 Cl2 N8 O2 Rh2'
_chemical_formula_weight         1223.13
_chemical_name_common            '[Rh(CNCy)4]2(Cl)2.0.5benzene.2H2O'
_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                 105.449(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.5495(4)
_cell_length_b                   23.1451(7)
_cell_length_c                   20.2848(6)
_cell_measurement_temperature    90(2)
_cell_volume                     6131.6(3)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.325
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7100795
Variation in Crystallization Conditions Allows the Isolation of Trimeric as Well as Dimeric and Monomeric Forms of [(Alkyl Isocyanide)4RhI]+.
A.L. Balch; James C. Fettinger; Marilyn M. Olmstead; David Pham; Jay Stork; Ngon Tran; Chemical Communications  (2006) –; doi:10.1039/b513700d

data_7100796
_publ_section_title
;
Variation in Crystallization Conditions Allows the
Isolation of Trimeric as Well as Dimeric and Monomeric Forms of [(Alkyl
Isocyanide)4RhI]+.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b513700d
_journal_year                    2006
_chemical_formula_sum            'C48 H91 Cl3 N12 O4.5 Rh3'
_chemical_formula_weight         1323.41
_chemical_name_common            '[Rh3(CN-iPr)12]Cl3.4.5H2O'
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.5193(6)
_cell_length_b                   22.7979(6)
_cell_length_c                   14.0456(4)
_cell_measurement_temperature    180(2)
_cell_volume                     6890.7(3)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    1.276
_cod_original_formula_sum        'C48 H91 Cl3 N12 O4.50 Rh3'
_cod_database_code               7100796
Bifunctional yttrium(III) and titanium(IV) NHC catalysts for lactide polymerisation
Polly L. Arnold; Alexander J. Blake; Stephen T. Liddle; Shaheed A. Mungur; Dipti Patel; Mark Rodden; Chemical Communications  (2006) –; doi:10.1039/b514406j

data_7100797
_publ_section_title
;
Bifunctional yttrium(III) and titanium(IV) NHC
catalysts for lactide polymerisation
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b514406j
_journal_year                    2006
_chemical_formula_moiety         'C19 H38 N2 O4 Ti'
_chemical_formula_sum            'C19 H38 N2 O4 Ti'
_chemical_formula_weight         406.41
_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                 104.608(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.389(2)
_cell_length_b                   14.878(3)
_cell_length_c                   17.833(4)
_cell_measurement_temperature    150(2)
_cell_volume                     2410.6(15)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.120
_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               7100797
Successive optical resolution of two compounds by one enantiopure compound
Reiko Kuroda; Yoshitane Imai; Tomohiro Sato; Masatoshi Takeshita; Chemical Communications  (2006) –; doi:10.1039/b515009d

data_7100798
_publ_section_title
;
Successive optical resolution of two compounds by one
enantiopure compound
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b515009d
_journal_year                    2006
_chemical_formula_sum            'C36 H32 N2 O5'
_chemical_formula_weight         572.64
_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                   11.0468(8)
_cell_length_b                   27.344(2)
_cell_length_c                   9.9797(7)
_cell_measurement_temperature    100(2)
_cell_volume                     3014.5(4)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.262
_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               7100798
; Chemical Communications  (2006) –; doi:10.1039/b515009d

data_7100799
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b515009d
_journal_year                    2006
_chemical_formula_sum            'C40 H42 N2 O6'
_chemical_formula_weight         646.76
_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                   9.5831(6)
_cell_length_b                   18.4429(12)
_cell_length_c                   19.5963(12)
_cell_measurement_temperature    100(2)
_cell_volume                     3463.5(4)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.240
_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               7100799
; Chemical Communications  (2006) –; doi:10.1039/b515009d

data_7100800
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b515009d
_journal_year                    2006
_chemical_formula_sum            'C41 H44 N2 O6'
_chemical_formula_weight         660.78
_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                   9.5068(6)
_cell_length_b                   18.9504(11)
_cell_length_c                   19.9816(12)
_cell_measurement_temperature    100(2)
_cell_volume                     3599.8(4)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.219
_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               7100800
; Chemical Communications  (2006) –; doi:10.1039/b515009d

data_7100801
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b515009d
_journal_year                    2006
_chemical_formula_sum            'C41 H44 N2 O6'
_chemical_formula_weight         660.78
_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                   9.5768(8)
_cell_length_b                   18.6287(16)
_cell_length_c                   19.5140(17)
_cell_measurement_temperature    100(2)
_cell_volume                     3481.4(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.261
_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               7100801