Crystallography Open Database

Information card for entry 4122084

4122083 << 4122084 >> 4122085

Preview

Coordinates	4122084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H60 B F4 N8 O8 Ru2
Calculated formula	C60 H60 B F4 N8 O8 Ru2
Title of publication	Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.
Authors of publication	Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	27
Pages of publication	9580 - 9589
a	13.7952 ± 0.0018 Å
b	13.7952 ± 0.0018 Å
c	15.095 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2872.7 ± 0.8 Å³
Cell temperature	33 ± 2 K
Ambient diffraction temperature	33 ± 2 K
Number of distinct elements	7
Space group number	126
Hermann-Mauguin space group symbol	P 4/n n c :2
Hall space group symbol	-P 4a 2bc
Residual factor for all reflections	0.1359
Residual factor for significantly intense reflections	0.1222
Weighted residual factors for significantly intense reflections	0.2218
Weighted residual factors for all reflections included in the refinement	0.2291
Goodness-of-fit parameter for all reflections included in the refinement	1.93
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
179022 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/20.	4122084.cif
121269	2014-08-05	cif/ Updating files of 4122084, 4122085, 4122086, 4122087, 4122088, 4122089, 4122090 Original log message: Adding full bibliography for 4122084--4122090.cif.	4122084.cif
118010	2014-06-25	cif/ Adding structures of 4122084, 4122085, 4122086, 4122087, 4122088, 4122089, 4122090 via cif-deposit CGI script.	4122084.cif