Crystallography Open Database

Information card for entry 4308360

Preview

Coordinates	4308360.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H62 Au Cl Ga N2 P
Calculated formula	C53 H62 Au Cl Ga N2 P
SMILES	[Au]([Ga]1(Cl)[N](c2c(cccc2C(C)C)C(C)C)=C(C=C(N1c1c(C(C)C)cccc1C(C)C)C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1
Title of publication	Insertion of Ga(DDP) into the Au‒Cl Bond of (PPh3)AuCl: A First Structurally Characterized Au‒Ga Bond
Authors of publication	Kempter, Andreas; Gemel, Christian; Fischer, Roland A.
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	2
Pages of publication	163 - 165
a	22.708 ± 0.008 Å
b	13.753 ± 0.005 Å
c	15.9 ± 0.006 Å
α	90°
β	101.593 ± 0.009°
γ	90°
Cell volume	4864 ± 3 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	7
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	0.0751
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1324
Weighted residual factors for all reflections included in the refinement	0.1435
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210154 (current)	2018-08-26	cif/4/30/ Updating bibliography in entries 4300861-4300862, 4308360-4308361. Marking entries 4300861-4300862 as duplicates of entries 4308361, 4308360.	4308360.cif
179121	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/83.	4308360.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	4308360.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308360.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308360.cif
32063	2012-01-26	cif/4 Correction of volume and publication year for files coming from a couple of issues of Inorg. Chem. The mistake was made when fetching bibliography for these entries and detected just now. I have checked that all other Inorg. Chem. files are correct.	4308360.cif
31986	2012-01-04	cif/ Changing more tags to match the dictionary specifications: -_diffrn_standards_interval_count none -_diffrn_standards_interval_time none -_diffrn_standards_number none +_diffrn_standards_interval_count 0 +_diffrn_standards_interval_time . +_diffrn_standards_number 0	4308360.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4308360.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308360.cif