Crystallography Open Database

Information card for entry 8101715

Preview

Coordinates	8101715.cif

Structure parameters

Chemical name	triaquabis(vanillin-O,O')nitritogadolinium(III)
Formula	C16 H20 Gd N O11
Calculated formula	C16 H20 Gd N O11
Title of publication	Crystal structure of triaquabis(vanillin-O,O')nitritogadolinium(III), Gd(H~2~O)~3~(C~8~H~7~O~3~)~2~(NO~2~)
Authors of publication	G.-L. Zhao; Y.-L. Feng
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2005
Journal volume	220
Journal issue	1
Pages of publication	99 - 100
a	7.7843 ± 0.0016 Å
b	21.977 ± 0.004 Å
c	11.129 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1903.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0197
Residual factor for significantly intense reflections	0.0183
Weighted residual factors for significantly intense reflections	0.0476
Weighted residual factors for all reflections included in the refinement	0.0483
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8101715.cif
107925	2014-03-23	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8101715.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8101715.cif
12454	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 8101715 via cif-deposit CGI script.	8101715.cif