Crystallography Open Database

Information card for entry 1519003

1519002 << 1519003 >> 1519004

Preview

Coordinates	1519003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H60 Ga N2 O
Calculated formula	C56 H60 Ga N2 O
SMILES	[Ga]1([N](c2c(cccc2C(C)C)C(C)C)=C2C(=[N]1c1c(cccc1C(C)C)C(C)C)c1c3c2cccc3ccc1)(C#Cc1ccccc1)C#Cc1ccccc1.O(CC)CC
Title of publication	Mononuclear dpp-Bian Gallium Complexes: Synthesis, Crystal Structures, and Reactivity toward Alkynes and Enones
Authors of publication	Fedushkin, Igor L.; Kazarina, Olga V.; Lukoyanov, Anton N.; Skatova, Alexandra A.; Bazyakina, Natalia L.; Cherkasov, Anton V.; Palamidis, Eftimios
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	8
Pages of publication	1498
a	10.5177 ± 0.0004 Å
b	11.8367 ± 0.0004 Å
c	19.8797 ± 0.0007 Å
α	79.654 ± 0.003°
β	85.269 ± 0.003°
γ	85.892 ± 0.003°
Cell volume	2422.31 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0997
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519003.cif
138308	2015-06-05	cif/ Updating files of 1519003 Original log message: Adding full bibliography for 1519003.cif.	1519003.cif
135102	2015-04-07	cif/ Adding structures of 1519003 via cif-deposit CGI script.	1519003.cif