Crystallography Open Database

Information card for entry 8102475

Preview

Coordinates	8102475.cif

Structure parameters

Chemical name	1,2-bis(4-pyridyl)ethane hydrogen methyl ether-perchlorate, (C~12~H~12~N~2~)[(C~3~H~7~O)^+^(ClO~4~)^-^]'
Formula	C15 H21 Cl N2 O5
Calculated formula	C15 H21 Cl N2 O5
Title of publication	Crystal structure of hydrogen methyl ether perchlorate — 1,3-bis(4-pyridyl)propane (1:1), [C2H7O][ClO4] · C13H14N2
Authors of publication	Ping Liu; Lian Zhaoxun; Yuhuan Chen
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	571
a	9.4697 ± 0.0013 Å
b	14.452 ± 0.002 Å
c	13.4624 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	1842.4 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.1035
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.2499
Weighted residual factors for all reflections included in the refinement	0.2809
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102475.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102475.cif
13214	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102475 via cif-deposit CGI script.	8102475.cif