Crystallography Open Database

Information card for entry 4338042

Preview

Coordinates	4338042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C107 H116 Fe4 Na O S8
Calculated formula	C107 H100 Fe4 Na O S8
Title of publication	A convenient route to synthetic analogues of the oxidized form of high-potential iron-sulfur proteins.
Authors of publication	Tanifuji, Kazuki; Yamada, Norihiro; Tajima, Tomoyuki; Sasamori, Takahiro; Tokitoh, Norihiro; Matsuo, Tsukasa; Tamao, Kohei; Ohki, Yasuhiro; Tatsumi, Kazuyuki
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	8
Pages of publication	4000 - 4009
a	14.4755 ± 0.0019 Å
b	15.3293 ± 0.0018 Å
c	25.52 ± 0.004 Å
α	82.58 ± 0.007°
β	87.684 ± 0.007°
γ	61.671 ± 0.004°
Cell volume	4941.5 ± 1.2 Å³
Cell temperature	173.1 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for all reflections included in the refinement	0.2142
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4338042.cif
112707	2014-05-04	cif/ Updating files of 4338042, 4338043, 4338044, 4338045, 4338046, 4338047 Original log message: Adding full bibliography for 4338042--4338047.cif.	4338042.cif
108874	2014-04-03	cif/ Adding structures of 4338042, 4338043, 4338044, 4338045, 4338046, 4338047 via cif-deposit CGI script.	4338042.cif