Crystallography Open Database

Information card for entry 7205808

7205807 << 7205808 >> 7205809

Preview

Coordinates	7205808.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 Cl N2 O6
Calculated formula	C16 H19 Cl N2 O6
Title of publication	Anion directed supramolecular architecture of pyrazole based ionic salts
Authors of publication	Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	12
Pages of publication	4110
a	18.4041 ± 0.0017 Å
b	8.4011 ± 0.0007 Å
c	22.587 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3492.3 ± 0.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1002
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.2103
Weighted residual factors for all reflections included in the refinement	0.2369
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
180389 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/58.	7205808.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205808.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205808.cif
21017	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205804, 7205805, 7205806, 7205807, 7205808 via cif-deposit CGI script.	7205808.cif