Crystallography Open Database

Information card for entry 7021958

7021957 << 7021958 >> 7021959

Preview

Coordinates	7021958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H51 B F4 Ir N6.5 O0.25 Rh
Calculated formula	C45 H49 B F4 Ir N6.5 O0.25 Rh
Title of publication	Squaring the cube: a family of octametallic lanthanide complexes including a Dy8 single-molecule magnet.
Authors of publication	Fang, Ming; Zhao, Hanhua; Prosvirin, Andrey V.; Pinkowicz, Dawid; Zhao, Bin; Cheng, Peng; Wernsdorfer, Wolfgang; Brechin, Euan K.; Dunbar, Kim R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	41
Pages of publication	14693 - 14701
a	11.6443 ± 0.0009 Å
b	14.1518 ± 0.0008 Å
c	14.4628 ± 0.0008 Å
α	99.082 ± 0.002°
β	111.484 ± 0.003°
γ	96.501 ± 0.004°
Cell volume	2151.6 ± 0.2 Å³
Cell temperature	192 ± 2 K
Ambient diffraction temperature	192 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0555
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1179
Weighted residual factors for all reflections included in the refinement	0.1241
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7021958.cif
88894	2013-10-09	cif/ Adding structures of 7021948, 7021949, 7021950, 7021951, 7021952, 7021953, 7021954, 7021955, 7021956, 7021957, 7021958, 7021959 via cif-deposit CGI script.	7021958.cif