Crystallography Open Database

Information card for entry 7025904

Preview

Coordinates	7025904.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-((μ~2~-Benzoato-O,O')-bis(μ~2~-benzoato-O,O',O')-(dimethylformamide-O )-gadolinium)
Formula	C24 H22 Gd N O7
Calculated formula	C24 H22 Gd N O7
Title of publication	The effect of pressure on the crystal structure of [Gd(PhCOO)3(DMF)]n to 3.7 GPa and the transition to a second phase at 5.0 GPa.
Authors of publication	Parois, Pascal; Moggach, Stephen A.; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Murrie, Mark; Parsons, Simon
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	30
Pages of publication	7004 - 7011
a	22.4915 ± 0.0006 Å
b	22.4915 ± 0.0006 Å
c	9.164 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4635.8 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :1
Hall space group symbol	P 4n -1n
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for all reflections	0.0675
Weighted residual factors for significantly intense reflections	0.0519
Weighted residual factors for all reflections included in the refinement	0.0675
Goodness-of-fit parameter for all reflections included in the refinement	1.0509
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7025904.cif
93351	2014-01-12	cif/ Adding structures of 7025904, 7025905, 7025906, 7025907, 7025908, 7025909, 7025910, 7025911, 7025912 via cif-deposit CGI script.	7025904.cif