Crystallography Open Database

Information card for entry 7112317

Preview

Coordinates	7112317.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H106 Fe2 P10 Sm2
Calculated formula	C68 H106 Fe2 P10 Sm2
Title of publication	P-P bond formation via reductive dimerization of [Cp^*^Fe(η^5^-P~5~)] by divalent samarocenes
Authors of publication	Li, Tianshu; Gamer, Michael T.; Scheer, Manfred; Konchenko, Sergey N.; Roesky, Peter W.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2013
Journal volume	49
Journal issue	22
Pages of publication	2183 - 2185
a	14.357 ± 0.003 Å
b	28.55 ± 0.006 Å
c	17.985 ± 0.004 Å
α	90°
β	95.08 ± 0.03°
γ	90°
Cell volume	7343 ± 3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0834
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	0.968
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7108924
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
210835 (current)	2018-09-11	cif/7/ Updating bibliography in entries 7108923-7108924, 7112316-7112317. Marking entries 7112316-7112317 as duplicates of entries 7108923-7108924.	7112317.cif
180237	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/23.	7112317.cif
110017	2014-04-18	cif/ Adding structures of 7112316, 7112317 via cif-deposit CGI script.	7112317.cif