Crystallography Open Database

Information card for entry 7234336

Preview

Coordinates	7234336.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	FeII(DMIP)2(NCS)2]
Formula	C40 H44 Cl2 Fe N16 S2
Calculated formula	C40 H44 Cl2 Fe N16 S2
Title of publication	2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes
Authors of publication	Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	7845 - 7857
a	11.53 ± 0.002 Å
b	15.84 ± 0.003 Å
c	12.19 ± 0.002 Å
α	90°
β	103.79 ± 0.03°
γ	90°
Cell volume	2162.2 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0919
Residual factor for significantly intense reflections	0.0825
Weighted residual factors for significantly intense reflections	0.1984
Weighted residual factors for all reflections included in the refinement	0.2052
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
219064 (current)	2019-10-03	cif/ Adding structures of 7234336, 7234337, 7234338, 7234339, 7234340, 7234341, 7234342, 7234343, 7234344 via cif-deposit CGI script.	7234336.cif