Crystallography Open Database

Information card for entry 4071092

Preview

Coordinates	4071092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 O4 P
Calculated formula	C12 H16 O4 P
Title of publication	From Functional Phospholide Ions to Bifunctional 1,1′-Diphosphaferrocenes
Authors of publication	Escobar, Aholibama; Donnadieu, Bruno; Mathey, François
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	8
Pages of publication	1887
a	20.816 ± 0.005 Å
b	10.489 ± 0.002 Å
c	12.513 ± 0.003 Å
α	90°
β	109.335 ± 0.003°
γ	90°
Cell volume	2578 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0461
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
178599 (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 4/07/10.	4071092.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071092.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071092.cif
43037	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071091, 4071092 via cif-deposit CGI script.	4071092.cif