Crystallography Open Database

Information card for entry 4075208

Preview

Coordinates	4075208.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H38 B8 Co3 Cu O7 P2
Calculated formula	C48 H38 B8 Co3 Cu O7 P2
Title of publication	Synthesis and Reactivity of 10- and 12-Vertex Cobalt−Monocarborane Anions Containing Multiple Metal Centers
Authors of publication	Lu, Xiu Lian; McGrath, Thomas D.; Stone, F. Gordon A.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	10
Pages of publication	2590
a	13.317 ± 0.005 Å
b	17.027 ± 0.006 Å
c	21.905 ± 0.008 Å
α	90°
β	91.534 ± 0.01°
γ	90°
Cell volume	4965 ± 3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0686
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.1019
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
178641 (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 4/07/52.	4075208.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075208.cif
49118	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075203, 4075204, 4075205, 4075206, 4075207, 4075208 via cif-deposit CGI script.	4075208.cif