Crystallography Open Database

Information card for entry 7116260

Preview

Coordinates	7116260.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
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	16.3536 ± 0.0011 Å
b	8.6485 ± 0.0005 Å
c	7.7268 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1092.83 ± 0.12 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0762
Residual factor for significantly intense reflections	0.0723
Weighted residual factors for significantly intense reflections	0.2089
Weighted residual factors for all reflections included in the refinement	0.2176
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7116260.cif
130912	2015-02-04	cif/ Updating files of 7116258, 7116259, 7116260, 7116261, 7116262 Original log message: Adding full bibliography for 7116258--7116262.cif.	7116260.cif
129362	2015-01-06	cif/ Adding structures of 7116258, 7116259, 7116260, 7116261, 7116262 via cif-deposit CGI script.	7116260.cif