Crystallography Open Database

Information card for entry 7040006

Preview

Coordinates	7040006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C182 H328 Cr14 F11 N3 Ni2 O71
Calculated formula	C182 H328 Cr14.04 F11 N3 Ni2.04 O71
Title of publication	Heterodimers of heterometallic rings.
Authors of publication	Timco, Grigore; Marocchi, Simone; Garlatti, Elena; Barker, Claire; Albring, Morten; Bellini, Valerio; Manghi, Franca; McInnes, Eric J. L.; Pritchard, Robin G.; Tuna, Floriana; Wernsdorfer, Wolfgang; Lorusso, Giulia; Amoretti, Giuseppe; Carretta, Stefano; Affronte, Marco; Winpenny, Richard E. P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	42
Pages of publication	16610 - 16615
a	24.7231 ± 0.0004 Å
b	16.8366 ± 0.0003 Å
c	30.9698 ± 0.0007 Å
α	90°
β	94.202 ± 0.001°
γ	90°
Cell volume	12856.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1441
Residual factor for significantly intense reflections	0.1055
Weighted residual factors for significantly intense reflections	0.2418
Weighted residual factors for all reflections included in the refinement	0.2656
Goodness-of-fit parameter for all reflections included in the refinement	1.292
Diffraction radiation probe	x-ray
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
188236 (current)	2016-11-08	cif/ Updating files of 7040006 Original log message: Adding full bibliography for 7040006.cif.	7040006.cif
184599	2016-07-22	cif/ Adding structures of 7040006 via cif-deposit CGI script.	7040006.cif