Crystallography Open Database

Information card for entry 7227062

Preview

Coordinates	7227062.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H42 Gd Mo N12 O7
Calculated formula	C23 H42 Gd Mo N12 O7
Title of publication	SHG-active LnIII‒[MoI(CN)5(NO)]3− (Ln = Gd, Eu) magnetic coordination chains: a new route towards non-centrosymmetric molecule-based magnets
Authors of publication	Komine, Masaya; Chorazy, Szymon; Imoto, Kenta; Nakabayashi, Koji; Ohkoshi, Shin-ichi
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	1
Pages of publication	18
a	21.4968 ± 0.0012 Å
b	9.8959 ± 0.0005 Å
c	16.3664 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3481.6 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0866
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
191578 (current)	2017-02-04	cif/ Updating files of 7227061, 7227062 Original log message: Adding full bibliography for 7227061--7227062.cif.	7227062.cif
188389	2016-11-11	cif/ Adding structures of 7227061, 7227062 via cif-deposit CGI script.	7227062.cif