Crystallography Open Database

Information card for entry 4317361

Preview

Coordinates	4317361.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H53 B2 F8 N11 Ni4 O14
Calculated formula	C58 H53 B2 F8 N11 Ni4 O14
Title of publication	Defective Dicubane-like Tetranuclear Nickel(II) Cyanate and Azide Nanoscale Magnets
Authors of publication	Zurine Serna; Noelia De la Pinta; M. Karmele Urtiaga; Luis Lezama; Gotzon Madariaga; J. Modesto Clemente-Juan; Eugenio Coronado; Roberto Cortés
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	11541 - 11549
a	14.108 ± 0.003 Å
b	18.19 ± 0.004 Å
c	25.924 ± 0.007 Å
α	90°
β	105.26 ± 0.03°
γ	90°
Cell volume	6418 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1024
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for all reflections included in the refinement	0.1333
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179253 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/73.	4317361.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4317361.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317361.cif
10873	2011-02-12	../uploads/cif-deposit/cod/cif Adding structures of 4317361 via cif-deposit CGI script.	4317361.cif