Crystallography Open Database

Information card for entry 4308249

Preview

Coordinates	4308249.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33.5 H32 B Cl F4 Fe2 O4 P2 S2
Calculated formula	C33.5 H32 B Cl F4 Fe2 O4 P2 S2
Title of publication	Evidence for the Formation of Terminal Hydrides by Protonation of an Asymmetric Iron Hydrogenase Active Site Mimic
Authors of publication	Salah Ezzaher; Jean-François Capon; Frédéric Gloaguen; François Y. Pétillon; Philippe Schollhammer; Jean Talarmin; Roger Pichon; Nelly Kervarec
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	3426 - 3428
a	11.9437 ± 0.0004 Å
b	9.6134 ± 0.0003 Å
c	31.1947 ± 0.001 Å
α	90 ± 0.003°
β	95.608 ± 0.003°
γ	90 ± 0.003°
Cell volume	3564.6 ± 0.2 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	9
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	0.0534
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4308249.cif
120081	2014-07-11	Adding DOIs to range 4/30 structures.	4308249.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308249.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4308249.cif