Crystallography Open Database

Information card for entry 4331638

Preview

Coordinates	4331638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H18 Fe N7 O1.5 Pt
Calculated formula	C34 Fe N7 O1.5 Pt
Title of publication	Novel Iron(II) Microporous Spin-Crossover Coordination Polymers with Enhanced Pore Size
Authors of publication	Francisco J. Muñoz-Lara; Ana B. Gaspar; M. Carmen Muñoz; Vadim Ksenofontov; José Antonio Real
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	3 - 5
a	7.1407 ± 0.0006 Å
b	7.1407 ± 0.0006 Å
c	20.489 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1044.7 ± 0.2 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	6
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	0.086
Residual factor for significantly intense reflections	0.0859
Weighted residual factors for significantly intense reflections	0.2055
Weighted residual factors for all reflections included in the refinement	0.2112
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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.	4331638.cif
97766	2014-01-29	cif/ Adding structures of 4331638 via cif-deposit CGI script.	4331638.cif