Crystallography Open Database

Information card for entry 4070604

Preview

Coordinates	4070604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31.5 H52 B7 Fe N2 O P
Calculated formula	C31.5 H52 B7 Fe N2 O P
Title of publication	A 10-Vertex Iron−Dicarbollide System Formed by Insertion of {Fe(CO)4} into 8-Vertex [closo-1-CB7H8]−: Synthesis and Reactivity Studies
Authors of publication	Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	5
Pages of publication	908
a	13.04 ± 0.003 Å
b	15.018 ± 0.003 Å
c	18.379 ± 0.004 Å
α	90°
β	90.564 ± 0.015°
γ	90°
Cell volume	3599.1 ± 1.3 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	0.1348
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1339
Goodness-of-fit parameter for all reflections included in the refinement	1
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4070604.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070604.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070604.cif
42588	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070604, 4070605, 4070606, 4070607, 4070608, 4070609 via cif-deposit CGI script.	4070604.cif