Crystallography Open Database

Information card for entry 7220379

7220378 << 7220379 >> 7220380

Preview

Coordinates	7220379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16.5 H17.5 Fe Mn N13 O3.75
Calculated formula	C16.5 H17 Fe Mn N13 O3.75
Title of publication	The first photochromic bimetallic assemblies based on Mn(iii) and Mn(ii) Schiff-base (salpn, dapsc) complexes and pentacyanonitrosylferrate
Authors of publication	Kopotkov, Vyacheslav A.; Sasnovskaya, Valentina D.; Korchagin, Denis V.; Morgunov, Roman B.; Aldoshin, Sergey M.; Simonov, Sergey V.; Zorina, Leokadiya V.; Schaniel, Dominik; Woike, Theo; Yagubskii, Eduard B.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	20
Pages of publication	3866
a	26.8212 ± 0.0019 Å
b	17.721 ± 0.002 Å
c	10.233 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4863.7 ± 0.8 Å³
Cell temperature	140 ± 1 K
Ambient diffraction temperature	140 ± 1 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	0.0533
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1114
Weighted residual factors for all reflections included in the refinement	0.1141
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
138538 (current)	2015-06-07	cif/ Updating files of 7220377, 7220378, 7220379 Original log message: Adding full bibliography for 7220377--7220379.cif.	7220379.cif
135842	2015-05-09	cif/ Adding structures of 7220377, 7220378, 7220379 via cif-deposit CGI script.	7220379.cif