Crystallography Open Database

Information card for entry 2017550

2017549 << 2017550 >> 2017551

Preview

Coordinates	2017550.cif
Structure factors	2017550.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Tetrakis(μ~2~-4-aminobenzoato)di-μ~3~-oxido-tetrakis[dibutyltin(IV)]
Formula	C60 H96 N4 O10 Sn4
Calculated formula	C60 H96 N4 O10 Sn4
Title of publication	Tetrakis(μ~2~-4-aminobenzoato)di-μ~3~-oxido-tetrakis[dibutyltin(IV)]
Authors of publication	Linden, Anthony; Basu Baul, Tushar S.; Das, Pradip
Journal of publication	Acta Crystallographica Section C
Year of publication	2010
Journal volume	66
Journal issue	3
Pages of publication	m58 - m61
a	12.3017 ± 0.0001 Å
b	17.1436 ± 0.0001 Å
c	15.8633 ± 0.0001 Å
α	90°
β	103.301 ± 0.0005°
γ	90°
Cell volume	3255.75 ± 0.04 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0447
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0719
Weighted residual factors for all reflections included in the refinement	0.0782
Goodness-of-fit parameter for all reflections included in the refinement	1.134
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	2017550.cif 2017550.hkl
180844	2016-04-02	cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/75.	2017550.cif 2017550.hkl
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2017550.cif 2017550.hkl
91933	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs.	2017550.cif 2017550.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2017550.cif 2017550.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2017550.cif 2017550.hkl
26029	2011-09-17	cif/2/ Reverting changes of revision 25271: ( cd cif/2/; svn merge -r25271:25270 . ) The problem was that the reprocessed files from IUCr, although were more complete, "resurrected" data errors that were corrected in the previous recisions. The additional data that have been extracted during the reprocessing will have to be merged without overwriting the existing values in COD files, except some explicit and controlled cases (such as publication titles and chemical names).	2017550.cif 2017550.hkl
25271	2011-09-10	cif/2/ Adding reporocessed IUCr CIFs for the years 1980-2010. The CIFs now contain more complete bibliography, substance names, correctly unfolded text fields (using the CIF line unfolding protocol), explicitely set cell angles, and _cod_data_source_block fields.	2017550.cif 2017550.hkl
1088	2010-04-11	hkl/ Adding Fobs tada for the recent IUCr data deposition.	2017550.cif 2017550.hkl
1086	2010-04-11	cif/2/, cif/7/ Depositing CIFs from Acta-Cryst-C-2010_03/, Acta-Cryst-E-2010_03/ and Chem-Comm-2010_12-16/ processing directories.	2017550.cif