Crystallography Open Database

Information card for entry 4075729

Preview

Coordinates	4075729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C250 H215 Cu40 Fe8 O2 P9 Se28
Calculated formula	C250 H215 Cu40 Fe8 O2 P9 Se28
Title of publication	Ferrocenyl-Passivated Nanoclusters: Synthesis of [Cu20Se6(Se2fc)4(PR2R‘)10] and [Cu40Se12(Se2fc)8(PPh3)9]
Authors of publication	Wallbank, Andrew I.; Borecki, Aneta; Taylor, Nicholas J.; Corrigan, John F.
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	5
Pages of publication	788
a	21.1482 ± 0.0003 Å
b	29.3806 ± 0.0005 Å
c	49.789 ± 0.008 Å
α	90°
β	95.435 ± 0.001°
γ	90°
Cell volume	30797 ± 5 Å³
Cell temperature	200 ± 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.11
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1866
Weighted residual factors for all reflections included in the refinement	0.2061
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178646 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/57.	4075729.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075729.cif
50638	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075727, 4075728, 4075729 via cif-deposit CGI script.	4075729.cif