Crystallography Open Database

Information card for entry 4340641

Preview

Coordinates	4340641.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H38 Fe2 N12 O5 Pt2 Se2
Calculated formula	C34 H33 Fe2 N12 O5 Pt2 Se2
Title of publication	Thermal- and Light-Induced Spin-Crossover Bistability in a Disrupted Hofmann-Type 3D Framework.
Authors of publication	Sciortino, Natasha F.; Neville, Suzanne M.; Létard, Jean-François; Moubaraki, Boujemaa; Murray, Keith S.; Kepert, Cameron J.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	15
Pages of publication	7886
a	11.3127 ± 0.0018 Å
b	14.687 ± 0.002 Å
c	14.766 ± 0.002 Å
α	85.881 ± 0.008°
β	79.811 ± 0.008°
γ	70.3 ± 0.008°
Cell volume	2273.1 ± 0.6 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	1.204
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
179509 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/06.	4340641.cif
121108	2014-08-04	cif/ Adding structures of 4340641 via cif-deposit CGI script.	4340641.cif