Crystallography Open Database

Information card for entry 1532314

Preview

Coordinates	1532314.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Na16 (Fe (C N)5 C O)4 (Fe (C N)6) (H2 O)32
Formula	C30 H64 Fe5 N26 Na16 O36
Calculated formula	C30 Fe5 N26 Na16 O36
SMILES	C(#[O])[Fe](C#N)(C#N)(C#N)(C#N)C#N.C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N.O.C(#[O])[Fe](C#N)(C#N)(C#N)(C#N)C#N.C(#[O])[Fe](C#N)(C#N)(C#N)(C#N)C#N.C(#[O])[Fe](C#N)(C#N)(C#N)(C#N)C#N.O.O.O.[Na+].O.[Na+].O.O.O.[Na+].O.[Na+].O.O.[Na+].O.[Na+].O.O.[Na+].O.[Na+].O.O.O.[Na+].O.[Na+].O.O.[Na+].O.[Na+].O.O.O.[Na+].O.[Na+].O.O.[Na+].O.[Na+].O.O.O
Title of publication	X-ray diffraction and DFT structures of the pentacyanocarbonylferrate(3-) ion
Authors of publication	Soria, D. B.; Piro, O. E.; Varetti, E. L.; Aymonino, P. J.
Journal of publication	Journal of Chemical Crystallography
Year of publication	2001
Journal volume	31
Journal issue	11-12
Pages of publication	471 - 477
a	16.308 Å
b	16.308 Å
c	15.418 Å
α	90°
β	90°
γ	90°
Cell volume	4100.43 Å³
Number of distinct elements	6
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
174914 (current)	2016-01-24	cif/1/53/ (antanas@kurmis) Updating bibliography for entry 1532314.	1532314.cif
158011	2015-09-19	cif/ Adding structures of 1532314 via cif-deposit CGI script.	1532314.cif