Crystallography Open Database

Information card for entry 4329660

Preview

Coordinates	4329660.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	sodium guanidinate
Formula	C H4 N3 Na
Calculated formula	C H4 N3 Na
SMILES	[Na+].C(=N)(N)[NH-]
Title of publication	Solvothermal Synthesis, Crystal Growth, and Structure Determination of Sodium and Potassium Guanidinate
Authors of publication	Peter Klaus Sawinski; Richard Dronskowski
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7425 - 7430
a	7.9496 ± 0.0012 Å
b	5.0328 ± 0.0008 Å
c	9.3591 ± 0.0015 Å
α	90°
β	110.797 ± 0.003°
γ	90°
Cell volume	350.05 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.0781
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
179399 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/96.	4329660.cif
78718	2013-04-02	cif/ Adding structures of 4329660 via cif-deposit CGI script.	4329660.cif