Crystallography Open Database

Information card for entry 7116100

Preview

Coordinates	7116100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H46 Ga N
Calculated formula	C33 H46 Ga N
SMILES	[Ga]1([N](Cc2c1c(C(C)(C)C)cc(c2)C(C)(C)C)(C)C)(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C
Title of publication	Synthesis of conjugated polymers containing gallium atoms and evaluation of conjugation through four-coordinate gallium atoms
Authors of publication	Takuya Matsumoto; Yoshinobu Onishi; Kazuo Tanaka; Hiroyuki Fueno; Kazuyoshi Tanaka; Yoshiki Chujo
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	15740
a	8.0037 ± 0.0011 Å
b	42.296 ± 0.005 Å
c	9.1578 ± 0.0011 Å
α	90°
β	98.422 ± 0.007°
γ	90°
Cell volume	3066.7 ± 0.7 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
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	0.1106
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1407
Weighted residual factors for all reflections included in the refinement	0.1693
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180275 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/61.	7116100.cif
129044	2014-12-24	cif/ Adding structures of 7116100, 7116101 via cif-deposit CGI script.	7116100.cif