Crystallography Open Database

Information card for entry 7041889

Preview

Coordinates	7041889.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ext_PhGe[5] with hexane
Chemical name	extended decaphenyl germa[5]pericyclyne
Formula	C86 H40 Ge5
Calculated formula	C86 H40 Ge5
Title of publication	Extended germa[N]pericyclynes: synthesis and characterization.
Authors of publication	Tanimoto, Hiroki; Fujiwara, Taro; Mori, Junta; Nagao, Tomohiko; Nishiyama, Yasuhiro; Morimoto, Tsumoru; Ito, Shunichiro; Tanaka, Kazuo; Chujo, Yoshiki; Kakiuchi, Kiyomi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	7
Pages of publication	2281 - 2288
a	30.1774 ± 0.0006 Å
b	27.4706 ± 0.0005 Å
c	8.96993 ± 0.00016 Å
α	90°
β	90°
γ	90°
Cell volume	7436 ± 0.2 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.059
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1074
Weighted residual factors for all reflections included in the refinement	0.1136
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
193832 (current)	2017-03-05	cif/ Updating files of 7041886, 7041887, 7041888, 7041889 Original log message: Adding full bibliography for 7041886--7041889.cif.	7041889.cif
191155	2017-01-31	cif/ Adding structures of 7041886, 7041887, 7041888, 7041889 via cif-deposit CGI script.	7041889.cif