Crystallography Open Database

Information card for entry 4336637

Preview

Coordinates	4336637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H8 Fe N6 O0.5 Pt S0.25
Calculated formula	C8 Fe N6 O0.52 Pt S0.26
Title of publication	Reversible Chemisorption of Sulfur Dioxide in a Spin Crossover Porous Coordination Polymer
Authors of publication	Zulema Arcís-Castillo; Francisco J. Muñoz-Lara; M. Carmen Muñoz; Daniel Aravena; Ana B. Gaspar; Juan F. Sánchez-Royo; Eliseo Ruiz; Masaaki Ohba; Ryotaro Matsuda; Susumu Kitagawa; José A. Real
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12777 - 12783
a	7.162 ± 0.0002 Å
b	7.162 ± 0.0002 Å
c	6.749 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	346.18 ± 0.02 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	7
Space group number	123
Hermann-Mauguin space group symbol	P 4/m m m
Hall space group symbol	-P 4 2
Residual factor for all reflections	0.0288
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.0619
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4336637.cif
102644	2014-02-21	cif/ Adding structures of 4336637 via cif-deposit CGI script.	4336637.cif