Crystallography Open Database

Information card for entry 7208657

7208656 << 7208657 >> 7208658

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Coordinates	7208657.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	dabcoHBr
Chemical name	1,4-diazabicyclo[2.2.2]octane hydrobromide
Formula	C6 H13 Br N2
Calculated formula	C6 H13 Br N2
Title of publication	Reverse sequence of transitions in prototypic relaxor 1,4-diazabicyclo[2.2.2]octane
Authors of publication	Nowicki, Waldemar; Olejniczak, Anna; Andrzejewski, Michał; Katrusiak, Andrzej
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	20
Pages of publication	6428
a	7.542 ± 0.004 Å
b	10.176 ± 0.005 Å
c	10.161 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	779.8 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Cell measurement pressure	400000 kPa
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0598
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0637
Weighted residual factors for all reflections included in the refinement	0.072
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7208657.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208657.cif
71445	2013-01-20	cif/ Adding structures of 7208656, 7208657 via cif-deposit CGI script.	7208657.cif