Crystallography Open Database

Information card for entry 7112800

Preview

Coordinates	7112800.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H7 Cl2 N5
Calculated formula	C11 H7 Cl2 N5
Title of publication	Rosette nanotubes with 1.4 nm inner diameter from a tricyclic variant of the Lehn-Mascal G‒C base.
Authors of publication	Borzsonyi, Gabor; Johnson, Ross S.; Myles, Andrew J.; Cho, Jae-Young; Yamazaki, Takeshi; Beingessner, Rachel L.; Kovalenko, Andriy; Fenniri, Hicham
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	35
Pages of publication	6527 - 6529
a	11.8814 ± 0.0005 Å
b	7.4778 ± 0.0004 Å
c	13.3827 ± 0.0006 Å
α	90°
β	104.075 ± 0.003°
γ	90°
Cell volume	1153.31 ± 0.1 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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 significantly intense reflections	0.042
Weighted residual factors for all reflections included in the refinement	0.088
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MO-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180242 (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 7/11/28.	7112800.cif
112096	2014-04-29	cif/ Adding structures of 7112800 via cif-deposit CGI script.	7112800.cif