Crystallography Open Database

Information card for entry 7024977

Preview

Coordinates	7024977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82.67 H93.33 Fe K O9.67
Calculated formula	C82.6667 H93.3333 Fe K O9.66667
Title of publication	P-C dichotomy: divergent iron(-I)-mediated alkyne and phosphaalkyne cycloligomerisations.
Authors of publication	Wolf, Robert; Ghavtadze, Nugzar; Weber, Katharina; Schnöckelborg, Eva-Maria; de Bruin, Bas; Ehlers, Andreas W.; Lammertsma, Koop
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	6
Pages of publication	1453 - 1456
a	10.8712 ± 0.0005 Å
b	12.8003 ± 0.0006 Å
c	39.1692 ± 0.0019 Å
α	81.502 ± 0.001°
β	87.164 ± 0.001°
γ	87.783 ± 0.001°
Cell volume	5381.4 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0873
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1244
Weighted residual factors for all reflections included in the refinement	0.14
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
179954 (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 7/02/49.	7024977.cif
92774	2014-01-12	cif/ Adding structures of 7024977 via cif-deposit CGI script.	7024977.cif