Crystallography Open Database

Information card for entry 4510973

Preview

Coordinates	4510973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48.25 H64.75 N10 O6.12
Calculated formula	C48.25 H64.75 N10 O6.125
Title of publication	The Brønsted-Lowry Reaction Revisited: Glass-Forming Properties of Salts of 1,5-Dimexylbiguanide
Authors of publication	Carvalho, Simão P.; Wang, Ruiyao; Wang, Haotian; Ball, Brian; Lebel, Olivier
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	6
Pages of publication	2734
a	13.574 ± 0.002 Å
b	18.461 ± 0.003 Å
c	22.346 ± 0.004 Å
α	111.71 ± 0.002°
β	94.025 ± 0.002°
γ	91.123 ± 0.002°
Cell volume	5183.4 ± 1.5 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1831
Residual factor for significantly intense reflections	0.1029
Weighted residual factors for significantly intense reflections	0.2697
Weighted residual factors for all reflections included in the refinement	0.3252
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
179656 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/09.	4510973.cif
114457	2014-05-24	cif/ Adding structures of 4510971, 4510972, 4510973 via cif-deposit CGI script.	4510973.cif