Crystallography Open Database

Information card for entry 4507178

Preview

Coordinates	4507178.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Lithium D-isoascorbate
Formula	C6 H9 Li O7
Calculated formula	C6 H9 Li O7
Title of publication	Lithiumd-Isoascorbate Monohydrate, a New Nonlinear Optical Material
Authors of publication	Rao, K. Raghavendra; Aneesh, C.; Bhat, H. L.; Elizabeth, Suja; Pavan, M. S.; Guru Row, Tayur N.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	1
Pages of publication	97
a	7.7839 ± 0.0003 Å
b	8.7456 ± 0.0003 Å
c	11.0365 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	751.31 ± 0.05 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0297
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0661
Weighted residual factors for all reflections included in the refinement	0.0675
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
179607 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/71.	4507178.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507178.cif
73841	2013-02-21	cif/ Adding structures of 4507178 via cif-deposit CGI script.	4507178.cif