Crystallography Open Database

Information card for entry 7111748

Preview

Coordinates	7111748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H36 Fe4 P4
Calculated formula	C40 H36 Fe4 P4
Title of publication	Stoichiometric and catalytic Sn-mediated dehydrocoupling of primary phosphines
Authors of publication	Naseri, Vesal; Less, Robert J.; Mulvey, Robert E.; McPartlin, Mary; Wright, Dominic S.
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	27
Pages of publication	5000 - 5002
a	11.652 ± 0.0016 Å
b	11.652 ± 0.0016 Å
c	6.2473 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	848.2 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	81
Hermann-Mauguin space group symbol	P -4
Hall space group symbol	P -4
Residual factor for all reflections	0.0421
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1077
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7111748.cif
96763	2014-01-29	cif/ Adding structures of 7111748, 7111749, 7111750 via cif-deposit CGI script.	7111748.cif