Crystallography Open Database

Information card for entry 4077514

Preview

Coordinates	4077514.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H42 F6 Fe P4
Calculated formula	C26 H42 F6 Fe P4
Title of publication	A New Nine-Membered Triphosphorus Macrocycle
Authors of publication	Edwards, Peter G.; Whatton, Mark L.; Haigh, Robert
Journal of publication	Organometallics
Year of publication	2000
Journal volume	19
Journal issue	14
Pages of publication	2652
a	13.584 ± 0.003 Å
b	13.527 ± 0.003 Å
c	17.136 ± 0.003 Å
α	90°
β	109.18 ± 0.03°
γ	90°
Cell volume	2974 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0652
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.1623
Weighted residual factors for all reflections included in the refinement	0.1737
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
178664 (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 4/07/75.	4077514.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077514.cif
54605	2012-04-28	cif/ Adding structures of 4077514 via cif-deposit CGI script.	4077514.cif