Crystallography Open Database

Information card for entry 7116262

Preview

Coordinates	7116262.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Dipropylammonium)(ClO4)
Formula	C6 H16 Cl N O4
Calculated formula	C6 H16 Cl N O4.008
Title of publication	A host-guest inclusion compound for reversible switching of quadratic nonlinear optical properties.
Authors of publication	Ji, Chengmin; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Chen, Tianliang; Tang, Yuanyuan; Luo, Junhua
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2015
Journal volume	51
Journal issue	12
Pages of publication	2298 - 2300
a	7.4714 ± 0.0008 Å
b	16.0278 ± 0.0018 Å
c	8.4874 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1016.37 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P m c n
Hall space group symbol	-P 2n 2a
Residual factor for all reflections	0.1154
Residual factor for significantly intense reflections	0.1108
Weighted residual factors for significantly intense reflections	0.3618
Weighted residual factors for all reflections included in the refinement	0.364
Goodness-of-fit parameter for all reflections included in the refinement	1.265
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
180276 (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 7/11/62.	7116262.cif
130912	2015-02-04	cif/ Updating files of 7116258, 7116259, 7116260, 7116261, 7116262 Original log message: Adding full bibliography for 7116258--7116262.cif.	7116262.cif
129362	2015-01-06	cif/ Adding structures of 7116258, 7116259, 7116260, 7116261, 7116262 via cif-deposit CGI script.	7116262.cif