Crystallography Open Database

Information card for entry 4511255

Preview

Coordinates	4511255.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H30 N4 O8 P2 S2
Calculated formula	C16 H30 N4 O8 P2 S2
Title of publication	Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Phosphonate, Phosphate, and Sulfonate Salts of Bis(amidines)
Authors of publication	Lie, Sharon; Maris, Thierry; Wuest, James D.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	7
Pages of publication	3658
a	4.8022 ± 0.0005 Å
b	10.3715 ± 0.001 Å
c	12.108 ± 0.0011 Å
α	99.771 ± 0.005°
β	93.061 ± 0.006°
γ	99.947 ± 0.005°
Cell volume	583.24 ± 0.1 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0885
Residual factor for significantly intense reflections	0.0796
Weighted residual factors for significantly intense reflections	0.2157
Weighted residual factors for all reflections included in the refinement	0.2222
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179659 (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 4/51/12.	4511255.cif
119025	2014-07-05	cif/ Updating files of 4511252, 4511253, 4511254, 4511255, 4511256, 4511257 Original log message: Adding full bibliography for 4511252--4511257.cif.	4511255.cif
115595	2014-06-05	cif/ Adding structures of 4511255 via cif-deposit CGI script.	4511255.cif