Crystallography Open Database

Information card for entry 7111675

Preview

Coordinates	7111675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H33.68 Ga0.44 N O3
Calculated formula	C35 H32 Ga0.4393 N O3
Title of publication	Synthesis and theoretical studies of gallium complexes back-shielded by a cage-shaped framework of tris(m-oxybenzyl)arene
Authors of publication	Nakajima, Hideto; Yasuda, Makoto; Chiba, Kouji; Baba, Akio
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	26
Pages of publication	4794 - 4796
a	11.8141 ± 0.001 Å
b	15.4673 ± 0.0014 Å
c	16.5096 ± 0.0016 Å
α	90°
β	102.713 ± 0.003°
γ	90°
Cell volume	2942.9 ± 0.5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0758
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1637
Weighted residual factors for all reflections included in the refinement	0.1881
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7111675.cif
96729	2014-01-29	cif/ Adding structures of 7111675 via cif-deposit CGI script.	7111675.cif