Crystallography Open Database

Information card for entry 7021957

7021956 << 7021957 >> 7021958

Preview

Coordinates	7021957.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H49 F12 Ir N7 P2 Rh
Calculated formula	C43 H49 F12 Ir N7 P2 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	26.0416 ± 0.0005 Å
b	26.0416 ± 0.0005 Å
c	14.3561 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	9735.8 ± 0.3 Å³
Cell temperature	191 ± 2 K
Ambient diffraction temperature	191 ± 2 K
Number of distinct elements	7
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1485
Weighted residual factors for all reflections included in the refinement	0.1507
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
179924 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/19.	7021957.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.	7021957.cif